EnsembleGraph: Interactive Visual Analysis of Spatial-Temporal Behavior for Ensemble Simulation Data

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shu, Qingya; Guo, Hanqi; Che, Limei

We present a novel visualization framework—EnsembleGraph— for analyzing ensemble simulation data, in order to help scientists understand behavior similarities between ensemble members over space and time. A graph-based representation is used to visualize individual spatiotemporal regions with similar behaviors, which are extracted by hierarchical clustering algorithms. A user interface with multiple-linked views is provided, which enables users to explore, locate, and compare regions that have similar behaviors between and then users can investigate and analyze the selected regions in detail. The driving application of this paper is the studies on regional emission influences over tropospheric ozone, which is based onmore » ensemble simulations conducted with different anthropogenic emission absences using the MOZART-4 (model of ozone and related tracers, version 4) model. We demonstrate the effectiveness of our method by visualizing the MOZART-4 ensemble simulation data and evaluating the relative regional emission influences on tropospheric ozone concentrations. Positive feedbacks from domain experts and two case studies prove efficiency of our method.« less

On the generation of climate model ensembles

NASA Astrophysics Data System (ADS)

Haughton, Ned; Abramowitz, Gab; Pitman, Andy; Phipps, Steven J.

2014-10-01

Climate model ensembles are used to estimate uncertainty in future projections, typically by interpreting the ensemble distribution for a particular variable probabilistically. There are, however, different ways to produce climate model ensembles that yield different results, and therefore different probabilities for a future change in a variable. Perhaps equally importantly, there are different approaches to interpreting the ensemble distribution that lead to different conclusions. Here we use a reduced-resolution climate system model to compare three common ways to generate ensembles: initial conditions perturbation, physical parameter perturbation, and structural changes. Despite these three approaches conceptually representing very different categories of uncertainty within a modelling system, when comparing simulations to observations of surface air temperature they can be very difficult to separate. Using the twentieth century CMIP5 ensemble for comparison, we show that initial conditions ensembles, in theory representing internal variability, significantly underestimate observed variance. Structural ensembles, perhaps less surprisingly, exhibit over-dispersion in simulated variance. We argue that future climate model ensembles may need to include parameter or structural perturbation members in addition to perturbed initial conditions members to ensure that they sample uncertainty due to internal variability more completely. We note that where ensembles are over- or under-dispersive, such as for the CMIP5 ensemble, estimates of uncertainty need to be treated with care.

On the statistical equivalence of restrained-ensemble simulations with the maximum entropy method

PubMed Central

Roux, Benoît; Weare, Jonathan

2013-01-01

An issue of general interest in computer simulations is to incorporate information from experiments into a structural model. An important caveat in pursuing this goal is to avoid corrupting the resulting model with spurious and arbitrary biases. While the problem of biasing thermodynamic ensembles can be formulated rigorously using the maximum entropy method introduced by Jaynes, the approach can be cumbersome in practical applications with the need to determine multiple unknown coefficients iteratively. A popular alternative strategy to incorporate the information from experiments is to rely on restrained-ensemble molecular dynamics simulations. However, the fundamental validity of this computational strategy remains in question. Here, it is demonstrated that the statistical distribution produced by restrained-ensemble simulations is formally consistent with the maximum entropy method of Jaynes. This clarifies the underlying conditions under which restrained-ensemble simulations will yield results that are consistent with the maximum entropy method. PMID:23464140

Machine Learning Predictions of a Multiresolution Climate Model Ensemble

NASA Astrophysics Data System (ADS)

Anderson, Gemma J.; Lucas, Donald D.

2018-05-01

Statistical models of high-resolution climate models are useful for many purposes, including sensitivity and uncertainty analyses, but building them can be computationally prohibitive. We generated a unique multiresolution perturbed parameter ensemble of a global climate model. We use a novel application of a machine learning technique known as random forests to train a statistical model on the ensemble to make high-resolution model predictions of two important quantities: global mean top-of-atmosphere energy flux and precipitation. The random forests leverage cheaper low-resolution simulations, greatly reducing the number of high-resolution simulations required to train the statistical model. We demonstrate that high-resolution predictions of these quantities can be obtained by training on an ensemble that includes only a small number of high-resolution simulations. We also find that global annually averaged precipitation is more sensitive to resolution changes than to any of the model parameters considered.

Ensemble Bayesian forecasting system Part I: Theory and algorithms

NASA Astrophysics Data System (ADS)

Herr, Henry D.; Krzysztofowicz, Roman

2015-05-01

The ensemble Bayesian forecasting system (EBFS), whose theory was published in 2001, is developed for the purpose of quantifying the total uncertainty about a discrete-time, continuous-state, non-stationary stochastic process such as a time series of stages, discharges, or volumes at a river gauge. The EBFS is built of three components: an input ensemble forecaster (IEF), which simulates the uncertainty associated with random inputs; a deterministic hydrologic model (of any complexity), which simulates physical processes within a river basin; and a hydrologic uncertainty processor (HUP), which simulates the hydrologic uncertainty (an aggregate of all uncertainties except input). It works as a Monte Carlo simulator: an ensemble of time series of inputs (e.g., precipitation amounts) generated by the IEF is transformed deterministically through a hydrologic model into an ensemble of time series of outputs, which is next transformed stochastically by the HUP into an ensemble of time series of predictands (e.g., river stages). Previous research indicated that in order to attain an acceptable sampling error, the ensemble size must be on the order of hundreds (for probabilistic river stage forecasts and probabilistic flood forecasts) or even thousands (for probabilistic stage transition forecasts). The computing time needed to run the hydrologic model this many times renders the straightforward simulations operationally infeasible. This motivates the development of the ensemble Bayesian forecasting system with randomization (EBFSR), which takes full advantage of the analytic meta-Gaussian HUP and generates multiple ensemble members after each run of the hydrologic model; this auxiliary randomization reduces the required size of the meteorological input ensemble and makes it operationally feasible to generate a Bayesian ensemble forecast of large size. Such a forecast quantifies the total uncertainty, is well calibrated against the prior (climatic) distribution of predictand, possesses a Bayesian coherence property, constitutes a random sample of the predictand, and has an acceptable sampling error-which makes it suitable for rational decision making under uncertainty.

Skill of ENSEMBLES seasonal re-forecasts for malaria prediction in West Africa

NASA Astrophysics Data System (ADS)

Jones, A. E.; Morse, A. P.

2012-12-01

This study examines the performance of malaria-relevant climate variables from the ENSEMBLES seasonal ensemble re-forecasts for sub-Saharan West Africa, using a dynamic malaria model to transform temperature and rainfall forecasts into simulated malaria incidence and verifying these forecasts against simulations obtained by driving the malaria model with General Circulation Model-derived reanalysis. Two subregions of forecast skill are identified: the highlands of Cameroon, where low temperatures limit simulated malaria during the forecast period and interannual variability in simulated malaria is closely linked to variability in temperature, and northern Nigeria/southern Niger, where simulated malaria variability is strongly associated with rainfall variability during the peak rain months.

Multi-Model Ensemble Wake Vortex Prediction

NASA Technical Reports Server (NTRS)

Koerner, Stephan; Holzaepfel, Frank; Ahmad, Nash'at N.

2015-01-01

Several multi-model ensemble methods are investigated for predicting wake vortex transport and decay. This study is a joint effort between National Aeronautics and Space Administration and Deutsches Zentrum fuer Luft- und Raumfahrt to develop a multi-model ensemble capability using their wake models. An overview of different multi-model ensemble methods and their feasibility for wake applications is presented. The methods include Reliability Ensemble Averaging, Bayesian Model Averaging, and Monte Carlo Simulations. The methodologies are evaluated using data from wake vortex field experiments.

Assessing uncertainties in crop and pasture ensemble model simulations of productivity and N2 O emissions.

PubMed

Ehrhardt, Fiona; Soussana, Jean-François; Bellocchi, Gianni; Grace, Peter; McAuliffe, Russel; Recous, Sylvie; Sándor, Renáta; Smith, Pete; Snow, Val; de Antoni Migliorati, Massimiliano; Basso, Bruno; Bhatia, Arti; Brilli, Lorenzo; Doltra, Jordi; Dorich, Christopher D; Doro, Luca; Fitton, Nuala; Giacomini, Sandro J; Grant, Brian; Harrison, Matthew T; Jones, Stephanie K; Kirschbaum, Miko U F; Klumpp, Katja; Laville, Patricia; Léonard, Joël; Liebig, Mark; Lieffering, Mark; Martin, Raphaël; Massad, Raia S; Meier, Elizabeth; Merbold, Lutz; Moore, Andrew D; Myrgiotis, Vasileios; Newton, Paul; Pattey, Elizabeth; Rolinski, Susanne; Sharp, Joanna; Smith, Ward N; Wu, Lianhai; Zhang, Qing

2018-02-01

Simulation models are extensively used to predict agricultural productivity and greenhouse gas emissions. However, the uncertainties of (reduced) model ensemble simulations have not been assessed systematically for variables affecting food security and climate change mitigation, within multi-species agricultural contexts. We report an international model comparison and benchmarking exercise, showing the potential of multi-model ensembles to predict productivity and nitrous oxide (N 2 O) emissions for wheat, maize, rice and temperate grasslands. Using a multi-stage modelling protocol, from blind simulations (stage 1) to partial (stages 2-4) and full calibration (stage 5), 24 process-based biogeochemical models were assessed individually or as an ensemble against long-term experimental data from four temperate grassland and five arable crop rotation sites spanning four continents. Comparisons were performed by reference to the experimental uncertainties of observed yields and N 2 O emissions. Results showed that across sites and crop/grassland types, 23%-40% of the uncalibrated individual models were within two standard deviations (SD) of observed yields, while 42 (rice) to 96% (grasslands) of the models were within 1 SD of observed N 2 O emissions. At stage 1, ensembles formed by the three lowest prediction model errors predicted both yields and N 2 O emissions within experimental uncertainties for 44% and 33% of the crop and grassland growth cycles, respectively. Partial model calibration (stages 2-4) markedly reduced prediction errors of the full model ensemble E-median for crop grain yields (from 36% at stage 1 down to 4% on average) and grassland productivity (from 44% to 27%) and to a lesser and more variable extent for N 2 O emissions. Yield-scaled N 2 O emissions (N 2 O emissions divided by crop yields) were ranked accurately by three-model ensembles across crop species and field sites. The potential of using process-based model ensembles to predict jointly productivity and N 2 O emissions at field scale is discussed. © 2017 John Wiley & Sons Ltd.

JuPOETs: a constrained multiobjective optimization approach to estimate biochemical model ensembles in the Julia programming language.

PubMed

Bassen, David M; Vilkhovoy, Michael; Minot, Mason; Butcher, Jonathan T; Varner, Jeffrey D

2017-01-25

Ensemble modeling is a promising approach for obtaining robust predictions and coarse grained population behavior in deterministic mathematical models. Ensemble approaches address model uncertainty by using parameter or model families instead of single best-fit parameters or fixed model structures. Parameter ensembles can be selected based upon simulation error, along with other criteria such as diversity or steady-state performance. Simulations using parameter ensembles can estimate confidence intervals on model variables, and robustly constrain model predictions, despite having many poorly constrained parameters. In this software note, we present a multiobjective based technique to estimate parameter or models ensembles, the Pareto Optimal Ensemble Technique in the Julia programming language (JuPOETs). JuPOETs integrates simulated annealing with Pareto optimality to estimate ensembles on or near the optimal tradeoff surface between competing training objectives. We demonstrate JuPOETs on a suite of multiobjective problems, including test functions with parameter bounds and system constraints as well as for the identification of a proof-of-concept biochemical model with four conflicting training objectives. JuPOETs identified optimal or near optimal solutions approximately six-fold faster than a corresponding implementation in Octave for the suite of test functions. For the proof-of-concept biochemical model, JuPOETs produced an ensemble of parameters that gave both the mean of the training data for conflicting data sets, while simultaneously estimating parameter sets that performed well on each of the individual objective functions. JuPOETs is a promising approach for the estimation of parameter and model ensembles using multiobjective optimization. JuPOETs can be adapted to solve many problem types, including mixed binary and continuous variable types, bilevel optimization problems and constrained problems without altering the base algorithm. JuPOETs is open source, available under an MIT license, and can be installed using the Julia package manager from the JuPOETs GitHub repository.

Reproducing multi-model ensemble average with Ensemble-averaged Reconstructed Forcings (ERF) in regional climate modeling

NASA Astrophysics Data System (ADS)

Erfanian, A.; Fomenko, L.; Wang, G.

2016-12-01

Multi-model ensemble (MME) average is considered the most reliable for simulating both present-day and future climates. It has been a primary reference for making conclusions in major coordinated studies i.e. IPCC Assessment Reports and CORDEX. The biases of individual models cancel out each other in MME average, enabling the ensemble mean to outperform individual members in simulating the mean climate. This enhancement however comes with tremendous computational cost, which is especially inhibiting for regional climate modeling as model uncertainties can originate from both RCMs and the driving GCMs. Here we propose the Ensemble-based Reconstructed Forcings (ERF) approach to regional climate modeling that achieves a similar level of bias reduction at a fraction of cost compared with the conventional MME approach. The new method constructs a single set of initial and boundary conditions (IBCs) by averaging the IBCs of multiple GCMs, and drives the RCM with this ensemble average of IBCs to conduct a single run. Using a regional climate model (RegCM4.3.4-CLM4.5), we tested the method over West Africa for multiple combination of (up to six) GCMs. Our results indicate that the performance of the ERF method is comparable to that of the MME average in simulating the mean climate. The bias reduction seen in ERF simulations is achieved by using more realistic IBCs in solving the system of equations underlying the RCM physics and dynamics. This endows the new method with a theoretical advantage in addition to reducing computational cost. The ERF output is an unaltered solution of the RCM as opposed to a climate state that might not be physically plausible due to the averaging of multiple solutions with the conventional MME approach. The ERF approach should be considered for use in major international efforts such as CORDEX. Key words: Multi-model ensemble, ensemble analysis, ERF, regional climate modeling

Improving Climate Projections Using "Intelligent" Ensembles

NASA Technical Reports Server (NTRS)

Baker, Noel C.; Taylor, Patrick C.

2015-01-01

Recent changes in the climate system have led to growing concern, especially in communities which are highly vulnerable to resource shortages and weather extremes. There is an urgent need for better climate information to develop solutions and strategies for adapting to a changing climate. Climate models provide excellent tools for studying the current state of climate and making future projections. However, these models are subject to biases created by structural uncertainties. Performance metrics-or the systematic determination of model biases-succinctly quantify aspects of climate model behavior. Efforts to standardize climate model experiments and collect simulation data-such as the Coupled Model Intercomparison Project (CMIP)-provide the means to directly compare and assess model performance. Performance metrics have been used to show that some models reproduce present-day climate better than others. Simulation data from multiple models are often used to add value to projections by creating a consensus projection from the model ensemble, in which each model is given an equal weight. It has been shown that the ensemble mean generally outperforms any single model. It is possible to use unequal weights to produce ensemble means, in which models are weighted based on performance (called "intelligent" ensembles). Can performance metrics be used to improve climate projections? Previous work introduced a framework for comparing the utility of model performance metrics, showing that the best metrics are related to the variance of top-of-atmosphere outgoing longwave radiation. These metrics improve present-day climate simulations of Earth's energy budget using the "intelligent" ensemble method. The current project identifies several approaches for testing whether performance metrics can be applied to future simulations to create "intelligent" ensemble-mean climate projections. It is shown that certain performance metrics test key climate processes in the models, and that these metrics can be used to evaluate model quality in both current and future climate states. This information will be used to produce new consensus projections and provide communities with improved climate projections for urgent decision-making.

Estimation of the uncertainty of a climate model using an ensemble simulation

NASA Astrophysics Data System (ADS)

Barth, A.; Mathiot, P.; Goosse, H.

2012-04-01

The atmospheric forcings play an important role in the study of the ocean and sea-ice dynamics of the Southern Ocean. Error in the atmospheric forcings will inevitably result in uncertain model results. The sensitivity of the model results to errors in the atmospheric forcings are studied with ensemble simulations using multivariate perturbations of the atmospheric forcing fields. The numerical ocean model used is the NEMO-LIM in a global configuration with an horizontal resolution of 2°. NCEP reanalyses are used to provide air temperature and wind data to force the ocean model over the last 50 years. A climatological mean is used to prescribe relative humidity, cloud cover and precipitation. In a first step, the model results is compared with OSTIA SST and OSI SAF sea ice concentration of the southern hemisphere. The seasonal behavior of the RMS difference and bias in SST and ice concentration is highlighted as well as the regions with relatively high RMS errors and biases such as the Antarctic Circumpolar Current and near the ice-edge. Ensemble simulations are performed to statistically characterize the model error due to uncertainties in the atmospheric forcings. Such information is a crucial element for future data assimilation experiments. Ensemble simulations are performed with perturbed air temperature and wind forcings. A Fourier decomposition of the NCEP wind vectors and air temperature for 2007 is used to generate ensemble perturbations. The perturbations are scaled such that the resulting ensemble spread matches approximately the RMS differences between the satellite SST and sea ice concentration. The ensemble spread and covariance are analyzed for the minimum and maximum sea ice extent. It is shown that errors in the atmospheric forcings can extend to several hundred meters in depth near the Antarctic Circumpolar Current.

A multiphysical ensemble system of numerical snow modelling

NASA Astrophysics Data System (ADS)

Lafaysse, Matthieu; Cluzet, Bertrand; Dumont, Marie; Lejeune, Yves; Vionnet, Vincent; Morin, Samuel

2017-05-01

Physically based multilayer snowpack models suffer from various modelling errors. To represent these errors, we built the new multiphysical ensemble system ESCROC (Ensemble System Crocus) by implementing new representations of different physical processes in the deterministic coupled multilayer ground/snowpack model SURFEX/ISBA/Crocus. This ensemble was driven and evaluated at Col de Porte (1325 m a.s.l., French alps) over 18 years with a high-quality meteorological and snow data set. A total number of 7776 simulations were evaluated separately, accounting for the uncertainties of evaluation data. The ability of the ensemble to capture the uncertainty associated to modelling errors is assessed for snow depth, snow water equivalent, bulk density, albedo and surface temperature. Different sub-ensembles of the ESCROC system were studied with probabilistic tools to compare their performance. Results show that optimal members of the ESCROC system are able to explain more than half of the total simulation errors. Integrating members with biases exceeding the range corresponding to observational uncertainty is necessary to obtain an optimal dispersion, but this issue can also be a consequence of the fact that meteorological forcing uncertainties were not accounted for. The ESCROC system promises the integration of numerical snow-modelling errors in ensemble forecasting and ensemble assimilation systems in support of avalanche hazard forecasting and other snowpack-modelling applications.

Insights in time dependent cross compartment sensitivities from ensemble simulations with the fully coupled subsurface-land surface-atmosphere model TerrSysMP

NASA Astrophysics Data System (ADS)

Schalge, Bernd; Rihani, Jehan; Haese, Barbara; Baroni, Gabriele; Erdal, Daniel; Haefliger, Vincent; Lange, Natascha; Neuweiler, Insa; Hendricks-Franssen, Harrie-Jan; Geppert, Gernot; Ament, Felix; Kollet, Stefan; Cirpka, Olaf; Saavedra, Pablo; Han, Xujun; Attinger, Sabine; Kunstmann, Harald; Vereecken, Harry; Simmer, Clemens

2017-04-01

Currently, an integrated approach to simulating the earth system is evolving where several compartment models are coupled to achieve the best possible physically consistent representation. We used the model TerrSysMP, which fully couples subsurface, land surface and atmosphere, in a synthetic study that mimicked the Neckar catchment in Southern Germany. A virtual reality run at a high resolution of 400m for the land surface and subsurface and 1.1km for the atmosphere was made. Ensemble runs at a lower resolution (800m for the land surface and subsurface) were also made. The ensemble was generated by varying soil and vegetation parameters and lateral atmospheric forcing among the different ensemble members in a systematic way. It was found that the ensemble runs deviated for some variables and some time periods largely from the virtual reality reference run (the reference run was not covered by the ensemble), which could be related to the different model resolutions. This was for example the case for river discharge in the summer. We also analyzed the spread of model states as function of time and found clear relations between the spread and the time of the year and weather conditions. For example, the ensemble spread of latent heat flux related to uncertain soil parameters was larger under dry soil conditions than under wet soil conditions. Another example is that the ensemble spread of atmospheric states was more influenced by uncertain soil and vegetation parameters under conditions of low air pressure gradients (in summer) than under conditions with larger air pressure gradients in winter. The analysis of the ensemble of fully coupled model simulations provided valuable insights in the dynamics of land-atmosphere feedbacks which we will further highlight in the presentation.

From ENSEMBLES to CORDEX: exploring the progress for hydrological impact research for the upper Danube basin

NASA Astrophysics Data System (ADS)

Stanzel, Philipp; Kling, Harald

2017-04-01

EURO-CORDEX Regional Climate Model (RCM) data are available as result of the latest initiative of the climate modelling community to provide ever improved simulations of past and future climate in Europe. The spatial resolution of the climate models increased from 25 x 25 km in the previous coordinated initiative, ENSEMBLES, to 12 x 12 km in the CORDEX EUR-11 simulations. This higher spatial resolution might yield improved representation of the historic climate, especially in complex mountainous terrain, improving applicability in impact studies. CORDEX scenario simulations are based on Representative Concentration Pathways, while ENSEMBLES applied the SRES greenhouse gas emission scenarios. The new emission scenarios might lead to different projections of future climate. In this contribution we explore these two dimensions of development from ENSEMBLES to CORDEX - representation of the past and projections for the future - in the context of a hydrological climate change impact study for the Danube River. We replicated previous hydrological simulations that used ENSEMBLES data of 21 RCM simulations under SRES A1B emission scenario as meteorological input data (Kling et al. 2012), and now applied CORDEX EUR-11 data of 16 RCM simulations under RCP4.5 and RCP8.5 emission scenarios. The climate variables precipitation and temperature were used to drive a monthly hydrological model of the upper Danube basin upstream of Vienna (100,000 km2). RCM data was bias corrected and downscaled to the scale of hydrological model units. Results with CORDEX data were compared with results with ENSEMBLES data, analysing both the driving meteorological input and the resulting discharge projections. Results with CORDEX data show no general improvement in the accuracy of representing historic climatic features, despite the increase in spatial model resolution. The tendency of ENSEMBLES scenario projections of increasing precipitation in winter and decreasing precipitation in summer is reproduced with the CORDEX RCMs, albeit with slightly higher precipitation in the CORDEX data. The distinct pattern of future change in discharge seasonality - increasing winter discharge and decreasing summer discharge - is confirmed with the new CORDEX data, with a range of projections very similar to the range projected by the ENSEMBLES RCMs. References: Kling, H., Fuchs, M., Paulin, M. 2012. Runoff conditions in the upper Danube basin under an ensemble of climate change scenarios. Journal of Hydrology 424-425, 264-277.

Ensemble Simulation of the Atmospheric Radionuclides Discharged by the Fukushima Nuclear Accident

NASA Astrophysics Data System (ADS)

Sekiyama, Thomas; Kajino, Mizuo; Kunii, Masaru

2013-04-01

Enormous amounts of radionuclides were discharged into the atmosphere by a nuclear accident at the Fukushima Daiichi nuclear power plant (FDNPP) after the earthquake and tsunami on 11 March 2011. The radionuclides were dispersed from the power plant and deposited mainly over eastern Japan and the North Pacific Ocean. A lot of numerical simulations of the radionuclide dispersion and deposition had been attempted repeatedly since the nuclear accident. However, none of them were able to perfectly simulate the distribution of dose rates observed after the accident over eastern Japan. This was partly due to the error of the wind vectors and precipitations used in the numerical simulations; unfortunately, their deterministic simulations could not deal with the probability distribution of the simulation results and errors. Therefore, an ensemble simulation of the atmospheric radionuclides was performed using the ensemble Kalman filter (EnKF) data assimilation system coupled with the Japan Meteorological Agency (JMA) non-hydrostatic mesoscale model (NHM); this mesoscale model has been used operationally for daily weather forecasts by JMA. Meteorological observations were provided to the EnKF data assimilation system from the JMA operational-weather-forecast dataset. Through this ensemble data assimilation, twenty members of the meteorological analysis over eastern Japan from 11 to 31 March 2011 were successfully obtained. Using these meteorological ensemble analysis members, the radionuclide behavior in the atmosphere such as advection, convection, diffusion, dry deposition, and wet deposition was simulated. This ensemble simulation provided the multiple results of the radionuclide dispersion and distribution. Because a large ensemble deviation indicates the low accuracy of the numerical simulation, the probabilistic information is obtainable from the ensemble simulation results. For example, the uncertainty of precipitation triggered the uncertainty of wet deposition; the uncertainty of wet deposition triggered the uncertainty of atmospheric radionuclide amounts. Then the remained radionuclides were transported downwind; consequently the uncertainty signal of the radionuclide amounts was propagated downwind. The signal propagation was seen in the ensemble simulation by the tracking of the large deviation areas of radionuclide concentration and deposition. These statistics are able to provide information useful for the probabilistic prediction of radionuclides.

Influences and interactions of inundation, peat, and snow on active layer thickness: Modeling Archive

DOE Data Explorer

Scott Painter; Ethan Coon; Cathy Wilson; Dylan Harp; Adam Atchley

2016-04-21

This Modeling Archive is in support of an NGEE Arctic publication currently in review [4/2016]. The Advanced Terrestrial Simulator (ATS) was used to simulate thermal hydrological conditions across varied environmental conditions for an ensemble of 1D models of Arctic permafrost. The thickness of organic soil is varied from 2 to 40cm, snow depth is varied from approximately 0 to 1.2 meters, water table depth was varied from -51cm below the soil surface to 31 cm above the soil surface. A total of 15,960 ensemble members are included. Data produced includes the third and fourth simulation year: active layer thickness, time of deepest thaw depth, temperature of the unfrozen soil, and unfrozen liquid saturation, for each ensemble member. Input files used to run the ensemble are also included.

Throwing the Uncertainty Toolbox at Antarctica: Multi-model Ensemble Simulation, Emulation and Bayesian Calibration of Marine Ice Sheet Instability

NASA Astrophysics Data System (ADS)

Edwards, T.

2015-12-01

Modelling Antarctic marine ice sheet instability (MISI) - the potential for sustained grounding line retreat along downsloping bedrock - is very challenging because high resolution at the grounding line is required for reliable simulation. Assessing modelling uncertainties is even more difficult, because such models are very computationally expensive, restricting the number of simulations that can be performed. Quantifying uncertainty in future Antarctic instability has therefore so far been limited. There are several ways to tackle this problem, including: Simulating a small domain, to reduce expense and allow the use of ensemble methods; Parameterising response of the grounding line to the onset of MISI, for the same reasons; Emulating the simulator with a statistical model, to explore the impacts of uncertainties more thoroughly; Substituting physical models with expert-elicited statistical distributions. Methods 2-4 require rigorous testing against observations and high resolution models to have confidence in their results. We use all four to examine the dependence of MISI in the Amundsen Sea Embayment (ASE) on uncertain model inputs, including bedrock topography, ice viscosity, basal friction, model structure (sliding law and treatment of grounding line migration) and MISI triggers (including basal melting and risk of ice shelf collapse). We compare simulations from a 3000 member ensemble with GRISLI (methods 2, 4) with a 284 member ensemble from BISICLES (method 1) and also use emulation (method 3). Results from the two ensembles show similarities, despite very different model structures and ensemble designs. Basal friction and topography have a large effect on the extent of grounding line retreat, and the sliding law strongly modifies sea level contributions through changes in the rate and extent of grounding line retreat and the rate of ice thinning. Over 50 years, MISI in the ASE gives up to 1.1 mm/year (95% quantile) SLE in GRISLI (calibrated with ASE mass losses in a Bayesian framework), and up to 1.2 mm/year SLE (95% quantile) in the 270 completed BISICLES simulations (no calibration). We will show preliminary results emulating the models, calibrating with observations, and comparing them to assess structural uncertainty. We use these to improve MISI projections for the whole continent.

Ensembler: Enabling High-Throughput Molecular Simulations at the Superfamily Scale.

PubMed

Parton, Daniel L; Grinaway, Patrick B; Hanson, Sonya M; Beauchamp, Kyle A; Chodera, John D

2016-06-01

The rapidly expanding body of available genomic and protein structural data provides a rich resource for understanding protein dynamics with biomolecular simulation. While computational infrastructure has grown rapidly, simulations on an omics scale are not yet widespread, primarily because software infrastructure to enable simulations at this scale has not kept pace. It should now be possible to study protein dynamics across entire (super)families, exploiting both available structural biology data and conformational similarities across homologous proteins. Here, we present a new tool for enabling high-throughput simulation in the genomics era. Ensembler takes any set of sequences-from a single sequence to an entire superfamily-and shepherds them through various stages of modeling and refinement to produce simulation-ready structures. This includes comparative modeling to all relevant PDB structures (which may span multiple conformational states of interest), reconstruction of missing loops, addition of missing atoms, culling of nearly identical structures, assignment of appropriate protonation states, solvation in explicit solvent, and refinement and filtering with molecular simulation to ensure stable simulation. The output of this pipeline is an ensemble of structures ready for subsequent molecular simulations using computer clusters, supercomputers, or distributed computing projects like Folding@home. Ensembler thus automates much of the time-consuming process of preparing protein models suitable for simulation, while allowing scalability up to entire superfamilies. A particular advantage of this approach can be found in the construction of kinetic models of conformational dynamics-such as Markov state models (MSMs)-which benefit from a diverse array of initial configurations that span the accessible conformational states to aid sampling. We demonstrate the power of this approach by constructing models for all catalytic domains in the human tyrosine kinase family, using all available kinase catalytic domain structures from any organism as structural templates. Ensembler is free and open source software licensed under the GNU General Public License (GPL) v2. It is compatible with Linux and OS X. The latest release can be installed via the conda package manager, and the latest source can be downloaded from https://github.com/choderalab/ensembler.

Understanding the Central Equatorial African long-term drought using AMIP-type simulations

NASA Astrophysics Data System (ADS)

Hua, Wenjian; Zhou, Liming; Chen, Haishan; Nicholson, Sharon E.; Jiang, Yan; Raghavendra, Ajay

2018-02-01

Previous studies show that Indo-Pacific sea surface temperature (SST) variations may help to explain the observed long-term drought during April-May-June (AMJ) since the 1990s over Central equatorial Africa (CEA). However, the underlying physical mechanisms for this drought are still not clear due to observation limitations. Here we use the AMIP-type simulations with 24 ensemble members forced by observed SSTs from the ECHAM4.5 model to explore the likely physical processes that determine the rainfall variations over CEA. We not only examine the ensemble mean (EM), but also compare the "good" and "poor" ensemble members to understand the intra-ensemble variability. In general, EM and the "good" ensemble member can simulate the drought and associated reduced vertical velocity and anomalous anti-cyclonic circulation in the lower troposphere. However, the "poor" ensemble members cannot simulate the drought and associated circulation patterns. These contrasts indicate that the drought is tightly associated with the tropical Walker circulation and atmospheric teleconnection patterns. If the observational circulation patterns cannot be reproduced, the CEA drought will not be captured. Despite the large intra-ensemble spread, the model simulations indicate an essential role of SST forcing in causing the drought. These results suggest that the long-term drought may result from tropical Indo-Pacific SST variations associated with the enhanced and westward extended tropical Walker circulation.

Enhancing Flood Prediction Reliability Using Bayesian Model Averaging

NASA Astrophysics Data System (ADS)

Liu, Z.; Merwade, V.

2017-12-01

Uncertainty analysis is an indispensable part of modeling the hydrology and hydrodynamics of non-idealized environmental systems. Compared to reliance on prediction from one model simulation, using on ensemble of predictions that consider uncertainty from different sources is more reliable. In this study, Bayesian model averaging (BMA) is applied to Black River watershed in Arkansas and Missouri by combining multi-model simulations to get reliable deterministic water stage and probabilistic inundation extent predictions. The simulation ensemble is generated from 81 LISFLOOD-FP subgrid model configurations that include uncertainty from channel shape, channel width, channel roughness and discharge. Model simulation outputs are trained with observed water stage data during one flood event, and BMA prediction ability is validated for another flood event. Results from this study indicate that BMA does not always outperform all members in the ensemble, but it provides relatively robust deterministic flood stage predictions across the basin. Station based BMA (BMA_S) water stage prediction has better performance than global based BMA (BMA_G) prediction which is superior to the ensemble mean prediction. Additionally, high-frequency flood inundation extent (probability greater than 60%) in BMA_G probabilistic map is more accurate than the probabilistic flood inundation extent based on equal weights.

Analyzing the impact of changing size and composition of a crop model ensemble

NASA Astrophysics Data System (ADS)

Rodríguez, Alfredo

2017-04-01

The use of an ensemble of crop growth simulation models is a practice recently adopted in order to quantify aspects of uncertainties in model simulations. Yet, while the climate modelling community has extensively investigated the properties of model ensembles and their implications, this has hardly been investigated for crop model ensembles (Wallach et al., 2016). In their ensemble of 27 wheat models, Martre et al. (2015) found that the accuracy of the multi-model ensemble-average only increases up to an ensemble size of ca. 10, but does not improve when including more models in the analysis. However, even when this number of members is reached, questions about the impact of the addition or removal of a member to/from the ensemble arise. When selecting ensemble members, identifying members with poor performance or giving implausible results can make a large difference on the outcome. The objective of this study is to set up a methodology that defines indicators to show the effects of changing the ensemble composition and size on simulation results, when a selection procedure of ensemble members is applied. Ensemble mean or median, and variance are measures used to depict ensemble results among other indicators. We are utilizing simulations from an ensemble of wheat models that have been used to construct impact response surfaces (Pirttioja et al., 2015) (IRSs). These show the response of an impact variable (e.g., crop yield) to systematic changes in two explanatory variables (e.g., precipitation and temperature). Using these, we compare different sub-ensembles in terms of the mean, median and spread, and also by comparing IRSs. The methodology developed here allows comparing an ensemble before and after applying any procedure that changes the ensemble composition and size by measuring the impact of this decision on the ensemble central tendency measures. The methodology could also be further developed to compare the effect of changing ensemble composition and size on IRS features. References Martre, P., Wallach, D., Asseng, S., Ewert, F., Jones, J.W., Rötter, R.P., Boote, K.J., Ruane, A.C., Thorburn, P.J., Cammarano, D., Hatfield, J.L., Rosenzweig, C., Aggarwal, P.K., Angulo, C., Basso, B., Bertuzzi, P., Biernath, C., Brisson, N., Challinor, A.J., Doltra, J., Gayler, S., Goldberg, R., Grant, R.F., Heng, L., Hooker, J., Hunt, L.A., Ingwersen, J., Izaurralde, R.C., Kersebaum, K.C., Muller, C., Kumar, S.N., Nendel, C., O'Leary, G., Olesen, J.E., Osborne, T.M., Palosuo, T., Priesack, E., Ripoche, D., Semenov, M.A., Shcherbak, I., Steduto, P., Stockle, C.O., Stratonovitch, P., Streck, T., Supit, I., Tao, F.L., Travasso, M., Waha, K., White, J.W., Wolf, J., 2015. Multimodel ensembles of wheat growth: many models are better than one. Glob. Change Biol. 21, 911-925. Pirttioja N., Carter T., Fronzek S., Bindi M., Hoffmann H., Palosuo T., Ruiz-Ramos, M., Tao F., Trnka M., Acutis M., Asseng S., Baranowski P., Basso B., Bodin P., Buis S., Cammarano D., Deligios P., Destain M.-F., Doro L., Dumont B., Ewert F., Ferrise R., Francois L., Gaiser T., Hlavinka P., Jacquemin I., Kersebaum K.-C., Kollas C., Krzyszczak J., Lorite I. J., Minet J., Minguez M. I., Montesion M., Moriondo M., Müller C., Nendel C., Öztürk I., Perego A., Rodriguez, A., Ruane A.C., Ruget F., Sanna M., Semenov M., Slawinski C., Stratonovitch P., Supit I., Waha K., Wang E., Wu L., Zhao Z., Rötter R.P, 2015. A crop model ensemble analysis of temperature and precipitation effects on wheat yield across a European transect using impact response surfaces. Clim. Res., 65:87-105, doi:10.3354/cr01322 Wallach, D., Mearns, L.O. Ruane, A.C., Rötter, R.P., Asseng, S. (2016). Lessons from climate modeling on the design and use of ensembles for crop modeling. Climate Change (in press) doi:10.1007/s10584-016-1803-1.

Time-lagged ensemble simulations of the dispersion of the Eyjafjallajökull plume over Europe with COSMO-ART

NASA Astrophysics Data System (ADS)

Vogel, H.; Förstner, J.; Vogel, B.; Hanisch, T.; Mühr, B.; Schättler, U.; Schad, T.

2014-08-01

An extended version of the German operational weather forecast model was used to simulate the ash dispersion during the eruption of the Eyjafjallajökull. As an operational forecast was launched every 6 hours, a time-lagged ensemble was obtained. Sensitivity runs show the ability of the model to simulate thin ash layers when an increased vertical resolution is used. Calibration of the model results with measured data allows for a quantitative forecast of the ash concentration. After this calibration an independent comparison of the simulated number concentration of 3 μm particles and observations at Hohenpeißenberg gives a correlation coefficient of 0.79. However, this agreement could only be reached after additional modifications of the emissions. Based on the time lagged ensemble the conditional probability of violation of a certain threshold is calculated. Improving the ensemble technique used in our study such probabilities could become valuable information for the forecasters advising the organizations responsible for the closing of the airspace.

Glyph-based analysis of multimodal directional distributions in vector field ensembles

NASA Astrophysics Data System (ADS)

Jarema, Mihaela; Demir, Ismail; Kehrer, Johannes; Westermann, Rüdiger

2015-04-01

Ensemble simulations are increasingly often performed in the geosciences in order to study the uncertainty and variability of model predictions. Describing ensemble data by mean and standard deviation can be misleading in case of multimodal distributions. We present first results of a glyph-based visualization of multimodal directional distributions in 2D and 3D vector ensemble data. Directional information on the circle/sphere is modeled using mixtures of probability density functions (pdfs), which enables us to characterize the distributions with relatively few parameters. The resulting mixture models are represented by 2D and 3D lobular glyphs showing direction, spread and strength of each principal mode of the distributions. A 3D extension of our approach is realized by means of an efficient GPU rendering technique. We demonstrate our method in the context of ensemble weather simulations.

A 12-year (1987-1998) Ensemble Simulation of the US Climate with a Variable Resolution Stretched Grid GCM

NASA Technical Reports Server (NTRS)

Fox-Rabinovitz, Michael S.; Takacs, Lawrence L.; Govindaraju, Ravi C.

2002-01-01

The variable-resolution stretched-grid (SG) GEOS (Goddard Earth Observing System) GCM has been used for limited ensemble integrations with a relatively coarse, 60 to 100 km, regional resolution over the U.S. The experiments have been run for the 12-year period, 1987-1998, that includes the recent ENSO cycles. Initial conditions 1-2 days apart are used for ensemble members. The goal of the experiments is analyzing the long-term SG-GCM ensemble integrations in terms of their potential in reducing the uncertainties of regional climate simulation while producing realistic mesoscales. The ensemble integration results are analyzed for both prognostic and diagnostic fields. A special attention is devoted to analyzing the variability of precipitation over the U.S. The internal variability of the SG-GCM has been assessed. The ensemble means appear to be closer to the verifying analyses than the individual ensemble members. The ensemble means capture realistic mesoscale patterns, especially those of induced by orography. Two ENSO cycles have been analyzed in terms their impact on the U.S. climate, especially on precipitation. The ability of the SG-GCM simulations to produce regional climate anomalies has been confirmed. However, the optimal size of the ensembles depending on fine regional resolution used, is still to be determined. The SG-GCM ensemble simulations are performed as a preparation or a preliminary stage for the international SGMIP (Stretched-Grid Model Intercomparison Project) that is under way with participation of the major centers and groups employing the SG-approach for regional climate modeling.

A brief history of the introduction of generalized ensembles to Markov chain Monte Carlo simulations

NASA Astrophysics Data System (ADS)

Berg, Bernd A.

2017-03-01

The most efficient weights for Markov chain Monte Carlo calculations of physical observables are not necessarily those of the canonical ensemble. Generalized ensembles, which do not exist in nature but can be simulated on computers, lead often to a much faster convergence. In particular, they have been used for simulations of first order phase transitions and for simulations of complex systems in which conflicting constraints lead to a rugged free energy landscape. Starting off with the Metropolis algorithm and Hastings' extension, I present a minireview which focuses on the explosive use of generalized ensembles in the early 1990s. Illustrations are given, which range from spin models to peptides.

Fire spread estimation on forest wildfire using ensemble kalman filter

NASA Astrophysics Data System (ADS)

Syarifah, Wardatus; Apriliani, Erna

2018-04-01

Wildfire is one of the most frequent disasters in the world, for example forest wildfire, causing population of forest decrease. Forest wildfire, whether naturally occurring or prescribed, are potential risks for ecosystems and human settlements. These risks can be managed by monitoring the weather, prescribing fires to limit available fuel, and creating firebreaks. With computer simulations we can predict and explore how fires may spread. The model of fire spread on forest wildfire was established to determine the fire properties. The fire spread model is prepared based on the equation of the diffusion reaction model. There are many methods to estimate the spread of fire. The Kalman Filter Ensemble Method is a modified estimation method of the Kalman Filter algorithm that can be used to estimate linear and non-linear system models. In this research will apply Ensemble Kalman Filter (EnKF) method to estimate the spread of fire on forest wildfire. Before applying the EnKF method, the fire spread model will be discreted using finite difference method. At the end, the analysis obtained illustrated by numerical simulation using software. The simulation results show that the Ensemble Kalman Filter method is closer to the system model when the ensemble value is greater, while the covariance value of the system model and the smaller the measurement.

Making decisions based on an imperfect ensemble of climate simulators: strategies and future directions

NASA Astrophysics Data System (ADS)

Sanderson, B. M.

2017-12-01

The CMIP ensembles represent the most comprehensive source of information available to decision-makers for climate adaptation, yet it is clear that there are fundamental limitations in our ability to treat the ensemble as an unbiased sample of possible future climate trajectories. There is considerable evidence that models are not independent, and increasing complexity and resolution combined with computational constraints prevent a thorough exploration of parametric uncertainty or internal variability. Although more data than ever is available for calibration, the optimization of each model is influenced by institutional priorities, historical precedent and available resources. The resulting ensemble thus represents a miscellany of climate simulators which defy traditional statistical interpretation. Models are in some cases interdependent, but are sufficiently complex that the degree of interdependency is conditional on the application. Configurations have been updated using available observations to some degree, but not in a consistent or easily identifiable fashion. This means that the ensemble cannot be viewed as a true posterior distribution updated by available data, but nor can observational data alone be used to assess individual model likelihood. We assess recent literature for combining projections from an imperfect ensemble of climate simulators. Beginning with our published methodology for addressing model interdependency and skill in the weighting scheme for the 4th US National Climate Assessment, we consider strategies for incorporating process-based constraints on future response, perturbed parameter experiments and multi-model output into an integrated framework. We focus on a number of guiding questions: Is the traditional framework of confidence in projections inferred from model agreement leading to biased or misleading conclusions? Can the benefits of upweighting skillful models be reconciled with the increased risk of truth lying outside the weighted ensemble distribution? If CMIP is an ensemble of partially informed best-guesses, can we infer anything about the parent distribution of all possible models of the climate system (and if not, are we implicitly under-representing the risk of a climate catastrophe outside of the envelope of CMIP simulations)?

Challenges in Visual Analysis of Ensembles

DOE PAGES

Crossno, Patricia

2018-04-12

Modeling physical phenomena through computational simulation increasingly relies on generating a collection of related runs, known as an ensemble. In this paper, we explore the challenges we face in developing analysis and visualization systems for large and complex ensemble data sets, which we seek to understand without having to view the results of every simulation run. Implementing approaches and ideas developed in response to this goal, we demonstrate the analysis of a 15K run material fracturing study using Slycat, our ensemble analysis system.

Challenges in Visual Analysis of Ensembles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Crossno, Patricia

Modeling physical phenomena through computational simulation increasingly relies on generating a collection of related runs, known as an ensemble. In this paper, we explore the challenges we face in developing analysis and visualization systems for large and complex ensemble data sets, which we seek to understand without having to view the results of every simulation run. Implementing approaches and ideas developed in response to this goal, we demonstrate the analysis of a 15K run material fracturing study using Slycat, our ensemble analysis system.

Insights into the deterministic skill of air quality ensembles ...

EPA Pesticide Factsheets

Simulations from chemical weather models are subject to uncertainties in the input data (e.g. emission inventory, initial and boundary conditions) as well as those intrinsic to the model (e.g. physical parameterization, chemical mechanism). Multi-model ensembles can improve the forecast skill, provided that certain mathematical conditions are fulfilled. In this work, four ensemble methods were applied to two different datasets, and their performance was compared for ozone (O3), nitrogen dioxide (NO2) and particulate matter (PM10). Apart from the unconditional ensemble average, the approach behind the other three methods relies on adding optimum weights to members or constraining the ensemble to those members that meet certain conditions in time or frequency domain. The two different datasets were created for the first and second phase of the Air Quality Model Evaluation International Initiative (AQMEII). The methods are evaluated against ground level observations collected from the EMEP (European Monitoring and Evaluation Programme) and AirBase databases. The goal of the study is to quantify to what extent we can extract predictable signals from an ensemble with superior skill over the single models and the ensemble mean. Verification statistics show that the deterministic models simulate better O3 than NO2 and PM10, linked to different levels of complexity in the represented processes. The unconditional ensemble mean achieves higher skill compared to each stati

Optical ensemble analysis of intraocular lens performance through a simulated clinical trial with ZEMAX.

PubMed

Zhao, Huawei

2009-01-01

A ZEMAX model was constructed to simulate a clinical trial of intraocular lenses (IOLs) based on a clinically oriented Monte Carlo ensemble analysis using postoperative ocular parameters. The purpose of this model is to test the feasibility of streamlining and optimizing both the design process and the clinical testing of IOLs. This optical ensemble analysis (OEA) is also validated. Simulated pseudophakic eyes were generated by using the tolerancing and programming features of ZEMAX optical design software. OEA methodology was verified by demonstrating that the results of clinical performance simulations were consistent with previously published clinical performance data using the same types of IOLs. From these results we conclude that the OEA method can objectively simulate the potential clinical trial performance of IOLs.

Real-time Ensemble Forecasting of Coronal Mass Ejections using the WSA-ENLIL+Cone Model

NASA Astrophysics Data System (ADS)

Mays, M. L.; Taktakishvili, A.; Pulkkinen, A. A.; MacNeice, P. J.; Rastaetter, L.; Kuznetsova, M. M.; Odstrcil, D.

2013-12-01

Ensemble forecasting of coronal mass ejections (CMEs) provides significant information in that it provides an estimation of the spread or uncertainty in CME arrival time predictions due to uncertainties in determining CME input parameters. Ensemble modeling of CME propagation in the heliosphere is performed by forecasters at the Space Weather Research Center (SWRC) using the WSA-ENLIL cone model available at the Community Coordinated Modeling Center (CCMC). SWRC is an in-house research-based operations team at the CCMC which provides interplanetary space weather forecasting for NASA's robotic missions and performs real-time model validation. A distribution of n (routinely n=48) CME input parameters are generated using the CCMC Stereo CME Analysis Tool (StereoCAT) which employs geometrical triangulation techniques. These input parameters are used to perform n different simulations yielding an ensemble of solar wind parameters at various locations of interest (satellites or planets), including a probability distribution of CME shock arrival times (for hits), and geomagnetic storm strength (for Earth-directed hits). Ensemble simulations have been performed experimentally in real-time at the CCMC since January 2013. We present the results of ensemble simulations for a total of 15 CME events, 10 of which were performed in real-time. The observed CME arrival was within the range of ensemble arrival time predictions for 5 out of the 12 ensemble runs containing hits. The average arrival time prediction was computed for each of the twelve ensembles predicting hits and using the actual arrival time an average absolute error of 8.20 hours was found for all twelve ensembles, which is comparable to current forecasting errors. Some considerations for the accuracy of ensemble CME arrival time predictions include the importance of the initial distribution of CME input parameters, particularly the mean and spread. When the observed arrivals are not within the predicted range, this still allows the ruling out of prediction errors caused by tested CME input parameters. Prediction errors can also arise from ambient model parameters such as the accuracy of the solar wind background, and other limitations. Additionally the ensemble modeling setup was used to complete a parametric event case study of the sensitivity of the CME arrival time prediction to free parameters for ambient solar wind model and CME.

Worldwide evaluation of mean and extreme runoff from six global-scale hydrological models that account for human impacts

NASA Astrophysics Data System (ADS)

Zaherpour, Jamal; Gosling, Simon N.; Mount, Nick; Müller Schmied, Hannes; Veldkamp, Ted I. E.; Dankers, Rutger; Eisner, Stephanie; Gerten, Dieter; Gudmundsson, Lukas; Haddeland, Ingjerd; Hanasaki, Naota; Kim, Hyungjun; Leng, Guoyong; Liu, Junguo; Masaki, Yoshimitsu; Oki, Taikan; Pokhrel, Yadu; Satoh, Yusuke; Schewe, Jacob; Wada, Yoshihide

2018-06-01

Global-scale hydrological models are routinely used to assess water scarcity, flood hazards and droughts worldwide. Recent efforts to incorporate anthropogenic activities in these models have enabled more realistic comparisons with observations. Here we evaluate simulations from an ensemble of six models participating in the second phase of the Inter-Sectoral Impact Model Inter-comparison Project (ISIMIP2a). We simulate monthly runoff in 40 catchments, spatially distributed across eight global hydrobelts. The performance of each model and the ensemble mean is examined with respect to their ability to replicate observed mean and extreme runoff under human-influenced conditions. Application of a novel integrated evaluation metric to quantify the models’ ability to simulate timeseries of monthly runoff suggests that the models generally perform better in the wetter equatorial and northern hydrobelts than in drier southern hydrobelts. When model outputs are temporally aggregated to assess mean annual and extreme runoff, the models perform better. Nevertheless, we find a general trend in the majority of models towards the overestimation of mean annual runoff and all indicators of upper and lower extreme runoff. The models struggle to capture the timing of the seasonal cycle, particularly in northern hydrobelts, while in southern hydrobelts the models struggle to reproduce the magnitude of the seasonal cycle. It is noteworthy that over all hydrological indicators, the ensemble mean fails to perform better than any individual model—a finding that challenges the commonly held perception that model ensemble estimates deliver superior performance over individual models. The study highlights the need for continued model development and improvement. It also suggests that caution should be taken when summarising the simulations from a model ensemble based upon its mean output.

Using statistical model to simulate the impact of climate change on maize yield with climate and crop uncertainties

NASA Astrophysics Data System (ADS)

Zhang, Yi; Zhao, Yanxia; Wang, Chunyi; Chen, Sining

2017-11-01

Assessment of the impact of climate change on crop productions with considering uncertainties is essential for properly identifying and decision-making agricultural practices that are sustainable. In this study, we employed 24 climate projections consisting of the combinations of eight GCMs and three emission scenarios representing the climate projections uncertainty, and two crop statistical models with 100 sets of parameters in each model representing parameter uncertainty within the crop models. The goal of this study was to evaluate the impact of climate change on maize ( Zea mays L.) yield at three locations (Benxi, Changling, and Hailun) across Northeast China (NEC) in periods 2010-2039 and 2040-2069, taking 1976-2005 as the baseline period. The multi-models ensembles method is an effective way to deal with the uncertainties. The results of ensemble simulations showed that maize yield reductions were less than 5 % in both future periods relative to the baseline. To further understand the contributions of individual sources of uncertainty, such as climate projections and crop model parameters, in ensemble yield simulations, variance decomposition was performed. The results indicated that the uncertainty from climate projections was much larger than that contributed by crop model parameters. Increased ensemble yield variance revealed the increasing uncertainty in the yield simulation in the future periods.

Coastal aquifer management under parameter uncertainty: Ensemble surrogate modeling based simulation-optimization

NASA Astrophysics Data System (ADS)

Janardhanan, S.; Datta, B.

2011-12-01

Surrogate models are widely used to develop computationally efficient simulation-optimization models to solve complex groundwater management problems. Artificial intelligence based models are most often used for this purpose where they are trained using predictor-predictand data obtained from a numerical simulation model. Most often this is implemented with the assumption that the parameters and boundary conditions used in the numerical simulation model are perfectly known. However, in most practical situations these values are uncertain. Under these circumstances the application of such approximation surrogates becomes limited. In our study we develop a surrogate model based coupled simulation optimization methodology for determining optimal pumping strategies for coastal aquifers considering parameter uncertainty. An ensemble surrogate modeling approach is used along with multiple realization optimization. The methodology is used to solve a multi-objective coastal aquifer management problem considering two conflicting objectives. Hydraulic conductivity and the aquifer recharge are considered as uncertain values. Three dimensional coupled flow and transport simulation model FEMWATER is used to simulate the aquifer responses for a number of scenarios corresponding to Latin hypercube samples of pumping and uncertain parameters to generate input-output patterns for training the surrogate models. Non-parametric bootstrap sampling of this original data set is used to generate multiple data sets which belong to different regions in the multi-dimensional decision and parameter space. These data sets are used to train and test multiple surrogate models based on genetic programming. The ensemble of surrogate models is then linked to a multi-objective genetic algorithm to solve the pumping optimization problem. Two conflicting objectives, viz, maximizing total pumping from beneficial wells and minimizing the total pumping from barrier wells for hydraulic control of saltwater intrusion are considered. The salinity levels resulting at strategic locations due to these pumping are predicted using the ensemble surrogates and are constrained to be within pre-specified levels. Different realizations of the concentration values are obtained from the ensemble predictions corresponding to each candidate solution of pumping. Reliability concept is incorporated as the percent of the total number of surrogate models which satisfy the imposed constraints. The methodology was applied to a realistic coastal aquifer system in Burdekin delta area in Australia. It was found that all optimal solutions corresponding to a reliability level of 0.99 satisfy all the constraints and as reducing reliability level decreases the constraint violation increases. Thus ensemble surrogate model based simulation-optimization was found to be useful in deriving multi-objective optimal pumping strategies for coastal aquifers under parameter uncertainty.

Ensemble inequivalence and Maxwell construction in the self-gravitating ring model

NASA Astrophysics Data System (ADS)

Rocha Filho, T. M.; Silvestre, C. H.; Amato, M. A.

2018-06-01

The statement that Gibbs equilibrium ensembles are equivalent is a base line in many approaches in the context of equilibrium statistical mechanics. However, as a known fact, for some physical systems this equivalence may not be true. In this paper we illustrate from first principles the inequivalence between the canonical and microcanonical ensembles for a system with long range interactions. We make use of molecular dynamics simulations and Monte Carlo simulations to explore the thermodynamics properties of the self-gravitating ring model and discuss on what conditions the Maxwell construction is applicable.

Curve Boxplot: Generalization of Boxplot for Ensembles of Curves.

PubMed

Mirzargar, Mahsa; Whitaker, Ross T; Kirby, Robert M

2014-12-01

In simulation science, computational scientists often study the behavior of their simulations by repeated solutions with variations in parameters and/or boundary values or initial conditions. Through such simulation ensembles, one can try to understand or quantify the variability or uncertainty in a solution as a function of the various inputs or model assumptions. In response to a growing interest in simulation ensembles, the visualization community has developed a suite of methods for allowing users to observe and understand the properties of these ensembles in an efficient and effective manner. An important aspect of visualizing simulations is the analysis of derived features, often represented as points, surfaces, or curves. In this paper, we present a novel, nonparametric method for summarizing ensembles of 2D and 3D curves. We propose an extension of a method from descriptive statistics, data depth, to curves. We also demonstrate a set of rendering and visualization strategies for showing rank statistics of an ensemble of curves, which is a generalization of traditional whisker plots or boxplots to multidimensional curves. Results are presented for applications in neuroimaging, hurricane forecasting and fluid dynamics.

Ensemble urban flood simulation in comparison with laboratory-scale experiments: Impact of interaction models for manhole, sewer pipe, and surface flow

NASA Astrophysics Data System (ADS)

Noh, Seong Jin; Lee, Seungsoo; An, Hyunuk; Kawaike, Kenji; Nakagawa, Hajime

2016-11-01

An urban flood is an integrated phenomenon that is affected by various uncertainty sources such as input forcing, model parameters, complex geometry, and exchanges of flow among different domains in surfaces and subsurfaces. Despite considerable advances in urban flood modeling techniques, limited knowledge is currently available with regard to the impact of dynamic interaction among different flow domains on urban floods. In this paper, an ensemble method for urban flood modeling is presented to consider the parameter uncertainty of interaction models among a manhole, a sewer pipe, and surface flow. Laboratory-scale experiments on urban flood and inundation are performed under various flow conditions to investigate the parameter uncertainty of interaction models. The results show that ensemble simulation using interaction models based on weir and orifice formulas reproduces experimental data with high accuracy and detects the identifiability of model parameters. Among interaction-related parameters, the parameters of the sewer-manhole interaction show lower uncertainty than those of the sewer-surface interaction. Experimental data obtained under unsteady-state conditions are more informative than those obtained under steady-state conditions to assess the parameter uncertainty of interaction models. Although the optimal parameters vary according to the flow conditions, the difference is marginal. Simulation results also confirm the capability of the interaction models and the potential of the ensemble-based approaches to facilitate urban flood simulation.

Simulation skill of APCC set of global climate models for Asian summer monsoon rainfall variability

NASA Astrophysics Data System (ADS)

Singh, U. K.; Singh, G. P.; Singh, Vikas

2015-04-01

The performance of 11 Asia-Pacific Economic Cooperation Climate Center (APCC) global climate models (coupled and uncoupled both) in simulating the seasonal summer (June-August) monsoon rainfall variability over Asia (especially over India and East Asia) has been evaluated in detail using hind-cast data (3 months advance) generated from APCC which provides the regional climate information product services based on multi-model ensemble dynamical seasonal prediction systems. The skill of each global climate model over Asia was tested separately in detail for the period of 21 years (1983-2003), and simulated Asian summer monsoon rainfall (ASMR) has been verified using various statistical measures for Indian and East Asian land masses separately. The analysis found a large variation in spatial ASMR simulated with uncoupled model compared to coupled models (like Predictive Ocean Atmosphere Model for Australia, National Centers for Environmental Prediction and Japan Meteorological Agency). The simulated ASMR in coupled model was closer to Climate Prediction Centre Merged Analysis of Precipitation (CMAP) compared to uncoupled models although the amount of ASMR was underestimated in both models. Analysis also found a high spread in simulated ASMR among the ensemble members (suggesting that the model's performance is highly dependent on its initial conditions). The correlation analysis between sea surface temperature (SST) and ASMR shows that that the coupled models are strongly associated with ASMR compared to the uncoupled models (suggesting that air-sea interaction is well cared in coupled models). The analysis of rainfall using various statistical measures suggests that the multi-model ensemble (MME) performed better compared to individual model and also separate study indicate that Indian and East Asian land masses are more useful compared to Asia monsoon rainfall as a whole. The results of various statistical measures like skill of multi-model ensemble, large spread among the ensemble members of individual model, strong teleconnection (correlation analysis) with SST, coefficient of variation, inter-annual variability, analysis of Taylor diagram, etc. suggest that there is a need to improve coupled model instead of uncoupled model for the development of a better dynamical seasonal forecast system.

Shallow cumuli ensemble statistics for development of a stochastic parameterization

NASA Astrophysics Data System (ADS)

Sakradzija, Mirjana; Seifert, Axel; Heus, Thijs

2014-05-01

According to a conventional deterministic approach to the parameterization of moist convection in numerical atmospheric models, a given large scale forcing produces an unique response from the unresolved convective processes. This representation leaves out the small-scale variability of convection, as it is known from the empirical studies of deep and shallow convective cloud ensembles, there is a whole distribution of sub-grid states corresponding to the given large scale forcing. Moreover, this distribution gets broader with the increasing model resolution. This behavior is also consistent with our theoretical understanding of a coarse-grained nonlinear system. We propose an approach to represent the variability of the unresolved shallow-convective states, including the dependence of the sub-grid states distribution spread and shape on the model horizontal resolution. Starting from the Gibbs canonical ensemble theory, Craig and Cohen (2006) developed a theory for the fluctuations in a deep convective ensemble. The micro-states of a deep convective cloud ensemble are characterized by the cloud-base mass flux, which, according to the theory, is exponentially distributed (Boltzmann distribution). Following their work, we study the shallow cumulus ensemble statistics and the distribution of the cloud-base mass flux. We employ a Large-Eddy Simulation model (LES) and a cloud tracking algorithm, followed by a conditional sampling of clouds at the cloud base level, to retrieve the information about the individual cloud life cycles and the cloud ensemble as a whole. In the case of shallow cumulus cloud ensemble, the distribution of micro-states is a generalized exponential distribution. Based on the empirical and theoretical findings, a stochastic model has been developed to simulate the shallow convective cloud ensemble and to test the convective ensemble theory. Stochastic model simulates a compound random process, with the number of convective elements drawn from a Poisson distribution, and cloud properties sub-sampled from a generalized ensemble distribution. We study the role of the different cloud subtypes in a shallow convective ensemble and how the diverse cloud properties and cloud lifetimes affect the system macro-state. To what extent does the cloud-base mass flux distribution deviate from the simple Boltzmann distribution and how does it affect the results from the stochastic model? Is the memory, provided by the finite lifetime of individual clouds, of importance for the ensemble statistics? We also test for the minimal information given as an input to the stochastic model, able to reproduce the ensemble mean statistics and the variability in a convective ensemble. An important property of the resulting distribution of the sub-grid convective states is its scale-adaptivity - the smaller the grid-size, the broader the compound distribution of the sub-grid states.

Data Assimilation in the ADAPT Photospheric Flux Transport Model

DOE PAGES

Hickmann, Kyle S.; Godinez, Humberto C.; Henney, Carl J.; ...

2015-03-17

Global maps of the solar photospheric magnetic flux are fundamental drivers for simulations of the corona and solar wind and therefore are important predictors of geoeffective events. However, observations of the solar photosphere are only made intermittently over approximately half of the solar surface. The Air Force Data Assimilative Photospheric Flux Transport (ADAPT) model uses localized ensemble Kalman filtering techniques to adjust a set of photospheric simulations to agree with the available observations. At the same time, this information is propagated to areas of the simulation that have not been observed. ADAPT implements a local ensemble transform Kalman filter (LETKF)more » to accomplish data assimilation, allowing the covariance structure of the flux-transport model to influence assimilation of photosphere observations while eliminating spurious correlations between ensemble members arising from a limited ensemble size. We give a detailed account of the implementation of the LETKF into ADAPT. Advantages of the LETKF scheme over previously implemented assimilation methods are highlighted.« less

Using the Firefly optimization method to weight an ensemble of rainfall forecasts from the Brazilian developments on the Regional Atmospheric Modeling System (BRAMS)

NASA Astrophysics Data System (ADS)

dos Santos, A. F.; Freitas, S. R.; de Mattos, J. G. Z.; de Campos Velho, H. F.; Gan, M. A.; da Luz, E. F. P.; Grell, G. A.

2013-09-01

In this paper we consider an optimization problem applying the metaheuristic Firefly algorithm (FY) to weight an ensemble of rainfall forecasts from daily precipitation simulations with the Brazilian developments on the Regional Atmospheric Modeling System (BRAMS) over South America during January 2006. The method is addressed as a parameter estimation problem to weight the ensemble of precipitation forecasts carried out using different options of the convective parameterization scheme. Ensemble simulations were performed using different choices of closures, representing different formulations of dynamic control (the modulation of convection by the environment) in a deep convection scheme. The optimization problem is solved as an inverse problem of parameter estimation. The application and validation of the methodology is carried out using daily precipitation fields, defined over South America and obtained by merging remote sensing estimations with rain gauge observations. The quadratic difference between the model and observed data was used as the objective function to determine the best combination of the ensemble members to reproduce the observations. To reduce the model rainfall biases, the set of weights determined by the algorithm is used to weight members of an ensemble of model simulations in order to compute a new precipitation field that represents the observed precipitation as closely as possible. The validation of the methodology is carried out using classical statistical scores. The algorithm has produced the best combination of the weights, resulting in a new precipitation field closest to the observations.

Evaluation of an Ensemble Dispersion Calculation.

NASA Astrophysics Data System (ADS)

Draxler, Roland R.

2003-02-01

A Lagrangian transport and dispersion model was modified to generate multiple simulations from a single meteorological dataset. Each member of the simulation was computed by assuming a ±1-gridpoint shift in the horizontal direction and a ±250-m shift in the vertical direction of the particle position, with respect to the meteorological data. The configuration resulted in 27 ensemble members. Each member was assumed to have an equal probability. The model was tested by creating an ensemble of daily average air concentrations for 3 months at 75 measurement locations over the eastern half of the United States during the Across North America Tracer Experiment (ANATEX). Two generic graphical displays were developed to summarize the ensemble prediction and the resulting concentration probabilities for a specific event: a probability-exceed plot and a concentration-probability plot. Although a cumulative distribution of the ensemble probabilities compared favorably with the measurement data, the resulting distribution was not uniform. This result was attributed to release height sensitivity. The trajectory ensemble approach accounts for about 41%-47% of the variance in the measurement data. This residual uncertainty is caused by other model and data errors that are not included in the ensemble design.

Changes in Seasonal and Extreme Hydrologic Conditions of the Georgia Basin/Puget Sound in an Ensemble Regional Climate Simulation for the Mid-Century

DOE Office of Scientific and Technical Information (OSTI.GOV)

Leung, Lai R.; Qian, Yun

This study examines an ensemble of climate change projections simulated by a global climate model (GCM) and downscaled with a region climate model (RCM) to 40 km spatial resolution for the western North America. One control and three ensemble future climate simulations were produced by the GCM following a business as usual scenario for greenhouse gases and aerosols emissions from 1995 to 2100. The RCM was used to downscale the GCM control simulation (1995-2015) and each ensemble future GCM climate (2040-2060) simulation. Analyses of the regional climate simulations for the Georgia Basin/Puget Sound showed a warming of 1.5-2oC and statisticallymore » insignificant changes in precipitation by the mid-century. Climate change has large impacts on snowpack (about 50% reduction) but relatively smaller impacts on the total runoff for the basin as a whole. However, climate change can strongly affect small watersheds such as those located in the transient snow zone, causing a higher likelihood of winter flooding as a higher percentage of precipitation falls in the form of rain rather than snow, and reduced streamflow in early summer. In addition, there are large changes in the monthly total runoff above the upper 1% threshold (or flood volume) from October through May, and the December flood volume of the future climate is 60% above the maximum monthly flood volume of the control climate. Uncertainty of the climate change projections, as characterized by the spread among the ensemble future climate simulations, is relatively small for the basin mean snowpack and runoff, but increases in smaller watersheds, especially in the transient snow zone, and associated with extreme events. This emphasizes the importance of characterizing uncertainty through ensemble simulations.« less

Multimodel Ensemble Methods for Prediction of Wake-Vortex Transport and Decay Originating NASA

NASA Technical Reports Server (NTRS)

Korner, Stephan; Ahmad, Nashat N.; Holzapfel, Frank; VanValkenburg, Randal L.

2017-01-01

Several multimodel ensemble methods are selected and further developed to improve the deterministic and probabilistic prediction skills of individual wake-vortex transport and decay models. The different multimodel ensemble methods are introduced, and their suitability for wake applications is demonstrated. The selected methods include direct ensemble averaging, Bayesian model averaging, and Monte Carlo simulation. The different methodologies are evaluated employing data from wake-vortex field measurement campaigns conducted in the United States and Germany.

Assessing a local ensemble Kalman filter: perfect model experiments with the National Centers for Environmental Prediction global model

NASA Astrophysics Data System (ADS)

Szunyogh, Istvan; Kostelich, Eric J.; Gyarmati, G.; Patil, D. J.; Hunt, Brian R.; Kalnay, Eugenia; Ott, Edward; Yorke, James A.

2005-08-01

The accuracy and computational efficiency of the recently proposed local ensemble Kalman filter (LEKF) data assimilation scheme is investigated on a state-of-the-art operational numerical weather prediction model using simulated observations. The model selected for this purpose is the T62 horizontal- and 28-level vertical-resolution version of the Global Forecast System (GFS) of the National Center for Environmental Prediction. The performance of the data assimilation system is assessed for different configurations of the LEKF scheme. It is shown that a modest size (40-member) ensemble is sufficient to track the evolution of the atmospheric state with high accuracy. For this ensemble size, the computational time per analysis is less than 9 min on a cluster of PCs. The analyses are extremely accurate in the mid-latitude storm track regions. The largest analysis errors, which are typically much smaller than the observational errors, occur where parametrized physical processes play important roles. Because these are also the regions where model errors are expected to be the largest, limitations of a real-data implementation of the ensemble-based Kalman filter may be easily mistaken for model errors. In light of these results, the importance of testing the ensemble-based Kalman filter data assimilation systems on simulated observations is stressed.

Uncertainty and feasibility of dynamical downscaling for modeling tropical cyclones for storm surge simulation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Zhaoqing; Taraphdar, Sourav; Wang, Taiping

This paper presents a modeling study conducted to evaluate the uncertainty of a regional model in simulating hurricane wind and pressure fields, and the feasibility of driving coastal storm surge simulation using an ensemble of region model outputs produced by 18 combinations of three convection schemes and six microphysics parameterizations, using Hurricane Katrina as a test case. Simulated wind and pressure fields were compared to observed H*Wind data for Hurricane Katrina and simulated storm surge was compared to observed high-water marks on the northern coast of the Gulf of Mexico. The ensemble modeling analysis demonstrated that the regional model wasmore » able to reproduce the characteristics of Hurricane Katrina with reasonable accuracy and can be used to drive the coastal ocean model for simulating coastal storm surge. Results indicated that the regional model is sensitive to both convection and microphysics parameterizations that simulate moist processes closely linked to the tropical cyclone dynamics that influence hurricane development and intensification. The Zhang and McFarlane (ZM) convection scheme and the Lim and Hong (WDM6) microphysics parameterization are the most skillful in simulating Hurricane Katrina maximum wind speed and central pressure, among the three convection and the six microphysics parameterizations. Error statistics of simulated maximum water levels were calculated for a baseline simulation with H*Wind forcing and the 18 ensemble simulations driven by the regional model outputs. The storm surge model produced the overall best results in simulating the maximum water levels using wind and pressure fields generated with the ZM convection scheme and the WDM6 microphysics parameterization.« less

Climatic Models Ensemble-based Mid-21st Century Runoff Projections: A Bayesian Framework

NASA Astrophysics Data System (ADS)

Achieng, K. O.; Zhu, J.

2017-12-01

There are a number of North American Regional Climate Change Assessment Program (NARCCAP) climatic models that have been used to project surface runoff in the mid-21st century. Statistical model selection techniques are often used to select the model that best fits data. However, model selection techniques often lead to different conclusions. In this study, ten models are averaged in Bayesian paradigm to project runoff. Bayesian Model Averaging (BMA) is used to project and identify effect of model uncertainty on future runoff projections. Baseflow separation - a two-digital filter which is also called Eckhardt filter - is used to separate USGS streamflow (total runoff) into two components: baseflow and surface runoff. We use this surface runoff as the a priori runoff when conducting BMA of runoff simulated from the ten RCM models. The primary objective of this study is to evaluate how well RCM multi-model ensembles simulate surface runoff, in a Bayesian framework. Specifically, we investigate and discuss the following questions: How well do ten RCM models ensemble jointly simulate surface runoff by averaging over all the models using BMA, given a priori surface runoff? What are the effects of model uncertainty on surface runoff simulation?

Reliability of the North America CORDEX and NARCCAP simulations in the context of uncertainty in regional climate change projections

NASA Astrophysics Data System (ADS)

Karmalkar, A.

2017-12-01

Ensembles of dynamically downscaled climate change simulations are routinely used to capture uncertainty in projections at regional scales. I assess the reliability of two such ensembles for North America - NARCCAP and NA-CORDEX - by investigating the impact of model selection on representing uncertainty in regional projections, and the ability of the regional climate models (RCMs) to provide reliable information. These aspects - discussed for the six regions used in the US National Climate Assessment - provide an important perspective on the interpretation of downscaled results. I show that selecting general circulation models for downscaling based on their equilibrium climate sensitivities is a reasonable choice, but the six models chosen for NA-CORDEX do a poor job at representing uncertainty in winter temperature and precipitation projections in many parts of the eastern US, which lead to overconfident projections. The RCM performance is highly variable across models, regions, and seasons and the ability of the RCMs to provide improved seasonal mean performance relative to their parent GCMs seems limited in both RCM ensembles. Additionally, the ability of the RCMs to simulate historical climates is not strongly related to their ability to simulate climate change across the ensemble. This finding suggests limited use of models' historical performance to constrain their projections. Given these challenges in dynamical downscaling, the RCM results should not be used in isolation. Information on how well the RCM ensembles represent known uncertainties in regional climate change projections discussed here needs to be communicated clearly to inform maagement decisions.

Significance of model credibility in estimating climate projection distributions for regional hydroclimatological risk assessments

USGS Publications Warehouse

Brekke, L.D.; Dettinger, M.D.; Maurer, E.P.; Anderson, M.

2008-01-01

Ensembles of historical climate simulations and climate projections from the World Climate Research Programme's (WCRP's) Coupled Model Intercomparison Project phase 3 (CMIP3) multi-model dataset were investigated to determine how model credibility affects apparent relative scenario likelihoods in regional risk assessments. Methods were developed and applied in a Northern California case study. An ensemble of 59 twentieth century climate simulations from 17 WCRP CMIP3 models was analyzed to evaluate relative model credibility associated with a 75-member projection ensemble from the same 17 models. Credibility was assessed based on how models realistically reproduced selected statistics of historical climate relevant to California climatology. Metrics of this credibility were used to derive relative model weights leading to weight-threshold culling of models contributing to the projection ensemble. Density functions were then estimated for two projected quantities (temperature and precipitation), with and without considering credibility-based ensemble reductions. An analysis for Northern California showed that, while some models seem more capable at recreating limited aspects twentieth century climate, the overall tendency is for comparable model performance when several credibility measures are combined. Use of these metrics to decide which models to include in density function development led to local adjustments to function shapes, but led to limited affect on breadth and central tendency, which were found to be more influenced by 'completeness' of the original ensemble in terms of models and emissions pathways. ?? 2007 Springer Science+Business Media B.V.

Multimodel ensembles of wheat growth: many models are better than one

USDA-ARS?s Scientific Manuscript database

Crop models of crop growth are increasingly used to quantify the impact of global changes due to climate or crop management. Therefore, accuracy of simulation results is a major concern. Studies with ensembles of crop models can give valuable information about model accuracy and uncertainty, but suc...

Ensemble-based flash-flood modelling: Taking into account hydrodynamic parameters and initial soil moisture uncertainties

NASA Astrophysics Data System (ADS)

Edouard, Simon; Vincendon, Béatrice; Ducrocq, Véronique

2018-05-01

Intense precipitation events in the Mediterranean often lead to devastating flash floods (FF). FF modelling is affected by several kinds of uncertainties and Hydrological Ensemble Prediction Systems (HEPS) are designed to take those uncertainties into account. The major source of uncertainty comes from rainfall forcing and convective-scale meteorological ensemble prediction systems can manage it for forecasting purpose. But other sources are related to the hydrological modelling part of the HEPS. This study focuses on the uncertainties arising from the hydrological model parameters and initial soil moisture with aim to design an ensemble-based version of an hydrological model dedicated to Mediterranean fast responding rivers simulations, the ISBA-TOP coupled system. The first step consists in identifying the parameters that have the strongest influence on FF simulations by assuming perfect precipitation. A sensitivity study is carried out first using a synthetic framework and then for several real events and several catchments. Perturbation methods varying the most sensitive parameters as well as initial soil moisture allow designing an ensemble-based version of ISBA-TOP. The first results of this system on some real events are presented. The direct perspective of this work will be to drive this ensemble-based version with the members of a convective-scale meteorological ensemble prediction system to design a complete HEPS for FF forecasting.

A Framework to Analyze the Performance of Load Balancing Schemes for Ensembles of Stochastic Simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ahn, Tae-Hyuk; Sandu, Adrian; Watson, Layne T.

2015-08-01

Ensembles of simulations are employed to estimate the statistics of possible future states of a system, and are widely used in important applications such as climate change and biological modeling. Ensembles of runs can naturally be executed in parallel. However, when the CPU times of individual simulations vary considerably, a simple strategy of assigning an equal number of tasks per processor can lead to serious work imbalances and low parallel efficiency. This paper presents a new probabilistic framework to analyze the performance of dynamic load balancing algorithms for ensembles of simulations where many tasks are mapped onto each processor, andmore » where the individual compute times vary considerably among tasks. Four load balancing strategies are discussed: most-dividing, all-redistribution, random-polling, and neighbor-redistribution. Simulation results with a stochastic budding yeast cell cycle model are consistent with the theoretical analysis. It is especially significant that there is a provable global decrease in load imbalance for the local rebalancing algorithms due to scalability concerns for the global rebalancing algorithms. The overall simulation time is reduced by up to 25 %, and the total processor idle time by 85 %.« less

Combining super-ensembles and statistical emulation to improve a regional climate and vegetation model

NASA Astrophysics Data System (ADS)

Hawkins, L. R.; Rupp, D. E.; Li, S.; Sarah, S.; McNeall, D. J.; Mote, P.; Betts, R. A.; Wallom, D.

2017-12-01

Changing regional patterns of surface temperature, precipitation, and humidity may cause ecosystem-scale changes in vegetation, altering the distribution of trees, shrubs, and grasses. A changing vegetation distribution, in turn, alters the albedo, latent heat flux, and carbon exchanged with the atmosphere with resulting feedbacks onto the regional climate. However, a wide range of earth-system processes that affect the carbon, energy, and hydrologic cycles occur at sub grid scales in climate models and must be parameterized. The appropriate parameter values in such parameterizations are often poorly constrained, leading to uncertainty in predictions of how the ecosystem will respond to changes in forcing. To better understand the sensitivity of regional climate to parameter selection and to improve regional climate and vegetation simulations, we used a large perturbed physics ensemble and a suite of statistical emulators. We dynamically downscaled a super-ensemble (multiple parameter sets and multiple initial conditions) of global climate simulations using a 25-km resolution regional climate model HadRM3p with the land-surface scheme MOSES2 and dynamic vegetation module TRIFFID. We simultaneously perturbed land surface parameters relating to the exchange of carbon, water, and energy between the land surface and atmosphere in a large super-ensemble of regional climate simulations over the western US. Statistical emulation was used as a computationally cost-effective tool to explore uncertainties in interactions. Regions of parameter space that did not satisfy observational constraints were eliminated and an ensemble of parameter sets that reduce regional biases and span a range of plausible interactions among earth system processes were selected. This study demonstrated that by combining super-ensemble simulations with statistical emulation, simulations of regional climate could be improved while simultaneously accounting for a range of plausible land-atmosphere feedback strengths.

Improving wave forecasting by integrating ensemble modelling and machine learning

NASA Astrophysics Data System (ADS)

O'Donncha, F.; Zhang, Y.; James, S. C.

2017-12-01

Modern smart-grid networks use technologies to instantly relay information on supply and demand to support effective decision making. Integration of renewable-energy resources with these systems demands accurate forecasting of energy production (and demand) capacities. For wave-energy converters, this requires wave-condition forecasting to enable estimates of energy production. Current operational wave forecasting systems exhibit substantial errors with wave-height RMSEs of 40 to 60 cm being typical, which limits the reliability of energy-generation predictions thereby impeding integration with the distribution grid. In this study, we integrate physics-based models with statistical learning aggregation techniques that combine forecasts from multiple, independent models into a single "best-estimate" prediction of the true state. The Simulating Waves Nearshore physics-based model is used to compute wind- and currents-augmented waves in the Monterey Bay area. Ensembles are developed based on multiple simulations perturbing input data (wave characteristics supplied at the model boundaries and winds) to the model. A learning-aggregation technique uses past observations and past model forecasts to calculate a weight for each model. The aggregated forecasts are compared to observation data to quantify the performance of the model ensemble and aggregation techniques. The appropriately weighted ensemble model outperforms an individual ensemble member with regard to forecasting wave conditions.

Ensemble prediction of air quality using the WRF/CMAQ model system for health effect studies in China

NASA Astrophysics Data System (ADS)

Hu, Jianlin; Li, Xun; Huang, Lin; Ying, Qi; Zhang, Qiang; Zhao, Bin; Wang, Shuxiao; Zhang, Hongliang

2017-11-01

Accurate exposure estimates are required for health effect analyses of severe air pollution in China. Chemical transport models (CTMs) are widely used to provide spatial distribution, chemical composition, particle size fractions, and source origins of air pollutants. The accuracy of air quality predictions in China is greatly affected by the uncertainties of emission inventories. The Community Multiscale Air Quality (CMAQ) model with meteorological inputs from the Weather Research and Forecasting (WRF) model were used in this study to simulate air pollutants in China in 2013. Four simulations were conducted with four different anthropogenic emission inventories, including the Multi-resolution Emission Inventory for China (MEIC), the Emission Inventory for China by School of Environment at Tsinghua University (SOE), the Emissions Database for Global Atmospheric Research (EDGAR), and the Regional Emission inventory in Asia version 2 (REAS2). Model performance of each simulation was evaluated against available observation data from 422 sites in 60 cities across China. Model predictions of O3 and PM2.5 generally meet the model performance criteria, but performance differences exist in different regions, for different pollutants, and among inventories. Ensemble predictions were calculated by linearly combining the results from different inventories to minimize the sum of the squared errors between the ensemble results and the observations in all cities. The ensemble concentrations show improved agreement with observations in most cities. The mean fractional bias (MFB) and mean fractional errors (MFEs) of the ensemble annual PM2.5 in the 60 cities are -0.11 and 0.24, respectively, which are better than the MFB (-0.25 to -0.16) and MFE (0.26-0.31) of individual simulations. The ensemble annual daily maximum 1 h O3 (O3-1h) concentrations are also improved, with mean normalized bias (MNB) of 0.03 and mean normalized errors (MNE) of 0.14, compared to MNB of 0.06-0.19 and MNE of 0.16-0.22 of the individual predictions. The ensemble predictions agree better with observations with daily, monthly, and annual averaging times in all regions of China for both PM2.5 and O3-1h. The study demonstrates that ensemble predictions from combining predictions from individual emission inventories can improve the accuracy of predicted temporal and spatial distributions of air pollutants. This study is the first ensemble model study in China using multiple emission inventories, and the results are publicly available for future health effect studies.

Real­-Time Ensemble Forecasting of Coronal Mass Ejections Using the Wsa-Enlil+Cone Model

NASA Astrophysics Data System (ADS)

Mays, M. L.; Taktakishvili, A.; Pulkkinen, A. A.; Odstrcil, D.; MacNeice, P. J.; Rastaetter, L.; LaSota, J. A.

2014-12-01

Ensemble forecasting of coronal mass ejections (CMEs) provides significant information in that it provides an estimation of the spread or uncertainty in CME arrival time predictions. Real-time ensemble modeling of CME propagation is performed by forecasters at the Space Weather Research Center (SWRC) using the WSA-ENLIL+cone model available at the Community Coordinated Modeling Center (CCMC). To estimate the effect of uncertainties in determining CME input parameters on arrival time predictions, a distribution of n (routinely n=48) CME input parameter sets are generated using the CCMC Stereo CME Analysis Tool (StereoCAT) which employs geometrical triangulation techniques. These input parameters are used to perform n different simulations yielding an ensemble of solar wind parameters at various locations of interest, including a probability distribution of CME arrival times (for hits), and geomagnetic storm strength (for Earth-directed hits). We present the results of ensemble simulations for a total of 38 CME events in 2013-2014. For 28 of the ensemble runs containing hits, the observed CME arrival was within the range of ensemble arrival time predictions for 14 runs (half). The average arrival time prediction was computed for each of the 28 ensembles predicting hits and using the actual arrival time, an average absolute error of 10.0 hours (RMSE=11.4 hours) was found for all 28 ensembles, which is comparable to current forecasting errors. Some considerations for the accuracy of ensemble CME arrival time predictions include the importance of the initial distribution of CME input parameters, particularly the mean and spread. When the observed arrivals are not within the predicted range, this still allows the ruling out of prediction errors caused by tested CME input parameters. Prediction errors can also arise from ambient model parameters such as the accuracy of the solar wind background, and other limitations. Additionally the ensemble modeling sysem was used to complete a parametric event case study of the sensitivity of the CME arrival time prediction to free parameters for ambient solar wind model and CME. The parameter sensitivity study suggests future directions for the system, such as running ensembles using various magnetogram inputs to the WSA model.

Evaluation of medium-range ensemble flood forecasting based on calibration strategies and ensemble methods in Lanjiang Basin, Southeast China

NASA Astrophysics Data System (ADS)

Liu, Li; Gao, Chao; Xuan, Weidong; Xu, Yue-Ping

2017-11-01

Ensemble flood forecasts by hydrological models using numerical weather prediction products as forcing data are becoming more commonly used in operational flood forecasting applications. In this study, a hydrological ensemble flood forecasting system comprised of an automatically calibrated Variable Infiltration Capacity model and quantitative precipitation forecasts from TIGGE dataset is constructed for Lanjiang Basin, Southeast China. The impacts of calibration strategies and ensemble methods on the performance of the system are then evaluated. The hydrological model is optimized by the parallel programmed ε-NSGA II multi-objective algorithm. According to the solutions by ε-NSGA II, two differently parameterized models are determined to simulate daily flows and peak flows at each of the three hydrological stations. Then a simple yet effective modular approach is proposed to combine these daily and peak flows at the same station into one composite series. Five ensemble methods and various evaluation metrics are adopted. The results show that ε-NSGA II can provide an objective determination on parameter estimation, and the parallel program permits a more efficient simulation. It is also demonstrated that the forecasts from ECMWF have more favorable skill scores than other Ensemble Prediction Systems. The multimodel ensembles have advantages over all the single model ensembles and the multimodel methods weighted on members and skill scores outperform other methods. Furthermore, the overall performance at three stations can be satisfactory up to ten days, however the hydrological errors can degrade the skill score by approximately 2 days, and the influence persists until a lead time of 10 days with a weakening trend. With respect to peak flows selected by the Peaks Over Threshold approach, the ensemble means from single models or multimodels are generally underestimated, indicating that the ensemble mean can bring overall improvement in forecasting of flows. For peak values taking flood forecasts from each individual member into account is more appropriate.

epiDMS: Data Management and Analytics for Decision-Making From Epidemic Spread Simulation Ensembles.

PubMed

Liu, Sicong; Poccia, Silvestro; Candan, K Selçuk; Chowell, Gerardo; Sapino, Maria Luisa

2016-12-01

Carefully calibrated large-scale computational models of epidemic spread represent a powerful tool to support the decision-making process during epidemic emergencies. Epidemic models are being increasingly used for generating forecasts of the spatial-temporal progression of epidemics at different spatial scales and for assessing the likely impact of different intervention strategies. However, the management and analysis of simulation ensembles stemming from large-scale computational models pose challenges, particularly when dealing with multiple interdependent parameters, spanning multiple layers and geospatial frames, affected by complex dynamic processes operating at different resolutions. We describe and illustrate with examples a novel epidemic simulation data management system, epiDMS, that was developed to address the challenges that arise from the need to generate, search, visualize, and analyze, in a scalable manner, large volumes of epidemic simulation ensembles and observations during the progression of an epidemic. epiDMS is a publicly available system that facilitates management and analysis of large epidemic simulation ensembles. epiDMS aims to fill an important hole in decision-making during healthcare emergencies by enabling critical services with significant economic and health impact. © The Author 2016. Published by Oxford University Press for the Infectious Diseases Society of America. All rights reserved. For permissions, e-mail journals.permissions@oup.com.

Decadal climate prediction in the large ensemble limit

NASA Astrophysics Data System (ADS)

Yeager, S. G.; Rosenbloom, N. A.; Strand, G.; Lindsay, K. T.; Danabasoglu, G.; Karspeck, A. R.; Bates, S. C.; Meehl, G. A.

2017-12-01

In order to quantify the benefits of initialization for climate prediction on decadal timescales, two parallel sets of historical simulations are required: one "initialized" ensemble that incorporates observations of past climate states and one "uninitialized" ensemble whose internal climate variations evolve freely and without synchronicity. In the large ensemble limit, ensemble averaging isolates potentially predictable forced and internal variance components in the "initialized" set, but only the forced variance remains after averaging the "uninitialized" set. The ensemble size needed to achieve this variance decomposition, and to robustly distinguish initialized from uninitialized decadal predictions, remains poorly constrained. We examine a large ensemble (LE) of initialized decadal prediction (DP) experiments carried out using the Community Earth System Model (CESM). This 40-member CESM-DP-LE set of experiments represents the "initialized" complement to the CESM large ensemble of 20th century runs (CESM-LE) documented in Kay et al. (2015). Both simulation sets share the same model configuration, historical radiative forcings, and large ensemble sizes. The twin experiments afford an unprecedented opportunity to explore the sensitivity of DP skill assessment, and in particular the skill enhancement associated with initialization, to ensemble size. This talk will highlight the benefits of a large ensemble size for initialized predictions of seasonal climate over land in the Atlantic sector as well as predictions of shifts in the likelihood of climate extremes that have large societal impact.

Scenario and modelling uncertainty in global mean temperature change derived from emission driven Global Climate Models

NASA Astrophysics Data System (ADS)

Booth, B. B. B.; Bernie, D.; McNeall, D.; Hawkins, E.; Caesar, J.; Boulton, C.; Friedlingstein, P.; Sexton, D.

2012-09-01

We compare future changes in global mean temperature in response to different future scenarios which, for the first time, arise from emission driven rather than concentration driven perturbed parameter ensemble of a Global Climate Model (GCM). These new GCM simulations sample uncertainties in atmospheric feedbacks, land carbon cycle, ocean physics and aerosol sulphur cycle processes. We find broader ranges of projected temperature responses arising when considering emission rather than concentration driven simulations (with 10-90 percentile ranges of 1.7 K for the aggressive mitigation scenario up to 3.9 K for the high end business as usual scenario). A small minority of simulations resulting from combinations of strong atmospheric feedbacks and carbon cycle responses show temperature increases in excess of 9 degrees (RCP8.5) and even under aggressive mitigation (RCP2.6) temperatures in excess of 4 K. While the simulations point to much larger temperature ranges for emission driven experiments, they do not change existing expectations (based on previous concentration driven experiments) on the timescale that different sources of uncertainty are important. The new simulations sample a range of future atmospheric concentrations for each emission scenario. Both in case of SRES A1B and the Representative Concentration Pathways (RCPs), the concentration pathways used to drive GCM ensembles lies towards the lower end of our simulated distribution. This design decision (a legecy of previous assessments) is likely to lead concentration driven experiments to under-sample strong feedback responses in concentration driven projections. Our ensemble of emission driven simulations span the global temperature response of other multi-model frameworks except at the low end, where combinations of low climate sensitivity and low carbon cycle feedbacks lead to responses outside our ensemble range. The ensemble simulates a number of high end responses which lie above the CMIP5 carbon cycle range. These high end simulations can be linked to sampling a number of stronger carbon cycle feedbacks and to sampling climate sensitivities above 4.5 K. This latter aspect highlights the priority in identifying real world climate sensitivity constraints which, if achieved, would lead to reductions on the uppper bound of projected global mean temperature change. The ensembles of simulations presented here provides a framework to explore relationships between present day observables and future changes while the large spread of future projected changes, highlights the ongoing need for such work.

Assimilating the Future for Better Forecasts and Earlier Warnings

NASA Astrophysics Data System (ADS)

Du, H.; Wheatcroft, E.; Smith, L. A.

2016-12-01

Multi-model ensembles have become popular tools to account for some of the uncertainty due to model inadequacy in weather and climate simulation-based predictions. The current multi-model forecasts focus on combining single model ensemble forecasts by means of statistical post-processing. Assuming each model is developed independently or with different primary target variables, each is likely to contain different dynamical strengths and weaknesses. Using statistical post-processing, such information is only carried by the simulations under a single model ensemble: no advantage is taken to influence simulations under the other models. A novel methodology, named Multi-model Cross Pollination in Time, is proposed for multi-model ensemble scheme with the aim of integrating the dynamical information regarding the future from each individual model operationally. The proposed approach generates model states in time via applying data assimilation scheme(s) to yield truly "multi-model trajectories". It is demonstrated to outperform traditional statistical post-processing in the 40-dimensional Lorenz96 flow. Data assimilation approaches are originally designed to improve state estimation from the past to the current time. The aim of this talk is to introduce a framework that uses data assimilation to improve model forecasts at future time (not to argue for any one particular data assimilation scheme). Illustration of applying data assimilation "in the future" to provide early warning of future high-impact events is also presented.

Transient Calibration of a Variably-Saturated Groundwater Flow Model By Iterative Ensemble Smoothering: Synthetic Case and Application to the Flow Induced During Shaft Excavation and Operation of the Bure Underground Research Laboratory

NASA Astrophysics Data System (ADS)

Lam, D. T.; Kerrou, J.; Benabderrahmane, H.; Perrochet, P.

2017-12-01

The calibration of groundwater flow models in transient state can be motivated by the expected improved characterization of the aquifer hydraulic properties, especially when supported by a rich transient dataset. In the prospect of setting up a calibration strategy for a variably-saturated transient groundwater flow model of the area around the ANDRA's Bure Underground Research Laboratory, we wish to take advantage of the long hydraulic head and flowrate time series collected near and at the access shafts in order to help inform the model hydraulic parameters. A promising inverse approach for such high-dimensional nonlinear model, and which applicability has been illustrated more extensively in other scientific fields, could be an iterative ensemble smoother algorithm initially developed for a reservoir engineering problem. Furthermore, the ensemble-based stochastic framework will allow to address to some extent the uncertainty of the calibration for a subsequent analysis of a flow process dependent prediction. By assimilating the available data in one single step, this method iteratively updates each member of an initial ensemble of stochastic realizations of parameters until the minimization of an objective function. However, as it is well known for ensemble-based Kalman methods, this correction computed from approximations of covariance matrices is most efficient when the ensemble realizations are multi-Gaussian. As shown by the comparison of the updated ensemble mean obtained for our simplified synthetic model of 2D vertical flow by using either multi-Gaussian or multipoint simulations of parameters, the ensemble smoother fails to preserve the initial connectivity of the facies and the parameter bimodal distribution. Given the geological structures depicted by the multi-layered geological model built for the real case, our goal is to find how to still best leverage the performance of the ensemble smoother while using an initial ensemble of conditional multi-Gaussian simulations or multipoint simulations as conceptually consistent as possible. Performance of the algorithm including additional steps to help mitigate the effects of non-Gaussian patterns, such as Gaussian anamorphosis, or resampling of facies from the training image using updated local probability constraints will be assessed.

Watershed scale response to climate change--Trout Lake Basin, Wisconsin

USGS Publications Warehouse

Walker, John F.; Hunt, Randall J.; Hay, Lauren E.; Markstrom, Steven L.

2012-01-01

Fourteen basins for which the Precipitation Runoff Modeling System has been calibrated and evaluated were selected as study sites. Precipitation Runoff Modeling System is a deterministic, distributed parameter watershed model developed to evaluate the effects of various combinations of precipitation, temperature, and land use on streamflow and general basin hydrology. Output from five General Circulation Model simulations and four emission scenarios were used to develop an ensemble of climate-change scenarios for each basin. These ensembles were simulated with the corresponding Precipitation Runoff Modeling System model. This fact sheet summarizes the hydrologic effect and sensitivity of the Precipitation Runoff Modeling System simulations to climate change for the Trout River Basin at Trout Lake in northern Wisconsin.

Watershed scale response to climate change--Clear Creek Basin, Iowa

USGS Publications Warehouse

Christiansen, Daniel E.; Hay, Lauren E.; Markstrom, Steven L.

2012-01-01

Fourteen basins for which the Precipitation Runoff Modeling System has been calibrated and evaluated were selected as study sites. Precipitation Runoff Modeling System is a deterministic, distributed parameter watershed model developed to evaluate the effects of various combinations of precipitation, temperature, and land use on streamflow and general basin hydrology. Output from five General Circulation Model simulations and four emission scenarios were used to develop an ensemble of climate-change scenarios for each basin. These ensembles were simulated with the corresponding Precipitation Runoff Modeling System model. This fact sheet summarizes the hydrologic effect and sensitivity of the Precipitation Runoff Modeling System simulations to climate change for the Clear Creek Basin, near Coralville, Iowa.

Watershed scale response to climate change--Feather River Basin, California

USGS Publications Warehouse

Koczot, Kathryn M.; Markstrom, Steven L.; Hay, Lauren E.

2012-01-01

Fourteen basins for which the Precipitation Runoff Modeling System has been calibrated and evaluated were selected as study sites. Precipitation Runoff Modeling System is a deterministic, distributed parameter watershed model developed to evaluate the effects of various combinations of precipitation, temperature, and land use on streamflow and general basin hydrology. Output from five General Circulation Model simulations and four emission scenarios were used to develop an ensemble of climate-change scenarios for each basin. These ensembles were simulated with the corresponding Precipitation Runoff Modeling System model. This fact sheet summarizes the hydrologic effect and sensitivity of the Precipitation Runoff Modeling System simulations to climate change for the Feather River Basin, California.

Watershed scale response to climate change--South Fork Flathead River Basin, Montana

USGS Publications Warehouse

Chase, Katherine J.; Hay, Lauren E.; Markstrom, Steven L.

2012-01-01

Fourteen basins for which the Precipitation Runoff Modeling System has been calibrated and evaluated were selected as study sites. Precipitation Runoff Modeling System is a deterministic, distributed parameter watershed model developed to evaluate the effects of various combinations of precipitation, temperature, and land use on streamflow and general basin hydrology. Output from five General Circulation Model simulations and four emission scenarios were used to develop an ensemble of climate-change scenarios for each basin. These ensembles were simulated with the corresponding Precipitation Runoff Modeling System model. This fact sheet summarizes the hydrologic effect and sensitivity of the Precipitation Runoff Modeling System simulations to climate change for the South Fork Flathead River Basin, Montana.

Watershed scale response to climate change--Cathance Stream Basin, Maine

USGS Publications Warehouse

Dudley, Robert W.; Hay, Lauren E.; Markstrom, Steven L.; Hodgkins, Glenn A.

2012-01-01

Fourteen basins for which the Precipitation Runoff Modeling System has been calibrated and evaluated were selected as study sites. Precipitation Runoff Modeling System is a deterministic, distributed parameter watershed model developed to evaluate the effects of various combinations of precipitation, temperature, and land use on streamflow and general basin hydrology. Output from five General Circulation Model simulations and four emission scenarios were used to develop an ensemble of climate-change scenarios for each basin. These ensembles were simulated with the corresponding Precipitation Runoff Modeling System model. This fact sheet summarizes the hydrologic effect and sensitivity of the Precipitation Runoff Modeling System simulations to climate change for the Cathance Stream Basin, Maine.

Watershed scale response to climate change--Pomperaug River Watershed, Connecticut

USGS Publications Warehouse

Bjerklie, David M.; Hay, Lauren E.; Markstrom, Steven L.

2012-01-01

Fourteen basins for which the Precipitation Runoff Modeling System has been calibrated and evaluated were selected as study sites. Precipitation Runoff Modeling System is a deterministic, distributed parameter watershed model developed to evaluate the effects of various combinations of precipitation, temperature, and land use on streamflow and general basin hydrology. Output from five General Circulation Model simulations and four emission scenarios were used to develop an ensemble of climate-change scenarios for each basin. These ensembles were simulated with the corresponding Precipitation Runoff Modeling System model. This fact sheet summarizes the hydrologic effect and sensitivity of the Precipitation Runoff Modeling System simulations to climate change for the Pomperaug River Basin at Southbury, Connecticut.

Watershed scale response to climate change--Starkweather Coulee Basin, North Dakota

USGS Publications Warehouse

Vining, Kevin C.; Hay, Lauren E.; Markstrom, Steven L.

2012-01-01

Fourteen basins for which the Precipitation Runoff Modeling System has been calibrated and evaluated were selected as study sites. Precipitation Runoff Modeling System is a deterministic, distributed parameter watershed model developed to evaluate the effects of various combinations of precipitation, temperature, and land use on streamflow and general basin hydrology. Output from five General Circulation Model simulations and four emission scenarios were used to develop an ensemble of climate-change scenarios for each basin. These ensembles were simulated with the corresponding Precipitation Runoff Modeling System model. This fact sheet summarizes the hydrologic effect and sensitivity of the Precipitation Runoff Modeling System simulations to climate change for the Starkweather Coulee Basin near Webster, North Dakota.

Watershed scale response to climate change--Sagehen Creek Basin, California

USGS Publications Warehouse

Markstrom, Steven L.; Hay, Lauren E.; Regan, R. Steven

2012-01-01

Fourteen basins for which the Precipitation Runoff Modeling System has been calibrated and evaluated were selected as study sites. Precipitation Runoff Modeling System is a deterministic, distributed parameter watershed model developed to evaluate the effects of various combinations of precipitation, temperature, and land use on streamflow and general basin hydrology. Output from five General Circulation Model simulations and four emission scenarios were used to develop an ensemble of climate-change scenarios for each basin. These ensembles were simulated with the corresponding Precipitation Runoff Modeling System model. This fact sheet summarizes the hydrologic effect and sensitivity of the Precipitation Runoff Modeling System simulations to climate change for the Sagehen Creek Basin near Truckee, California.

Watershed scale response to climate change--Sprague River Basin, Oregon

USGS Publications Warehouse

Risley, John; Hay, Lauren E.; Markstrom, Steven L.

2012-01-01

Fourteen basins for which the Precipitation Runoff Modeling System has been calibrated and evaluated were selected as study sites. Precipitation Runoff Modeling System is a deterministic, distributed parameter watershed model developed to evaluate the effects of various combinations of precipitation, temperature, and land use on streamflow and general basin hydrology. Output from five General Circulation Model simulations and four emission scenarios were used to develop an ensemble of climate-change scenarios for each basin. These ensembles were simulated with the corresponding Precipitation Runoff Modeling System model. This fact sheet summarizes the hydrologic effect and sensitivity of the Precipitation Runoff Modeling System simulations to climate change for the Sprague River Basin near Chiloquin, Oregon.

Watershed scale response to climate change--Black Earth Creek Basin, Wisconsin

USGS Publications Warehouse

Hunt, Randall J.; Walker, John F.; Westenbroek, Steven M.; Hay, Lauren E.; Markstrom, Steven L.

2012-01-01

Fourteen basins for which the Precipitation Runoff Modeling System has been calibrated and evaluated were selected as study sites. Precipitation Runoff Modeling System is a deterministic, distributed parameter watershed model developed to evaluate the effects of various combinations of precipitation, temperature, and land use on streamflow and general basin hydrology. Output from five General Circulation Model simulations and four emission scenarios were used to develop an ensemble of climate-change scenarios for each basin. These ensembles were simulated with the corresponding Precipitation Runoff Modeling System model. This fact sheet summarizes the hydrologic effect and sensitivity of the Precipitation Runoff Modeling System simulations to climate change for the Black Earth Creek Basin, Wisconsin.

Watershed scale response to climate change--East River Basin, Colorado

USGS Publications Warehouse

Battaglin, William A.; Hay, Lauren E.; Markstrom, Steven L.

2012-01-01

Fourteen basins for which the Precipitation Runoff Modeling System has been calibrated and evaluated were selected as study sites. Precipitation Runoff Modeling System is a deterministic, distributed parameter watershed model developed to evaluate the effects of various combinations of precipitation, temperature, and land use on streamflow and general basin hydrology. Output from five General Circulation Model simulations and four emission scenarios were used to develop an ensemble of climate-change scenarios for each basin. These ensembles were simulated with the corresponding Precipitation Runoff Modeling System model. This fact sheet summarizes the hydrologic effect and sensitivity of the Precipitation Runoff Modeling System simulations to climate change for the East River Basin, Colorado.

Watershed scale response to climate change--Naches River Basin, Washington

USGS Publications Warehouse

Mastin, Mark C.; Hay, Lauren E.; Markstrom, Steven L.

2012-01-01

Fourteen basins for which the Precipitation Runoff Modeling System has been calibrated and evaluated were selected as study sites. Precipitation Runoff Modeling System is a deterministic, distributed parameter watershed model developed to evaluate the effects of various combinations of precipitation, temperature, and land use on streamflow and general basin hydrology. Output from five General Circulation Model simulations and four emission scenarios were used to develop an ensemble of climate-change scenarios for each basin. These ensembles were simulated with the corresponding Precipitation Runoff Modeling System model. This fact sheet summarizes the hydrologic effect and sensitivity of the Precipitation Runoff Modeling System simulations to climate change for the Naches River Basin below Tieton River in Washington.

Watershed scale response to climate change--Flint River Basin, Georgia

USGS Publications Warehouse

Hay, Lauren E.; Markstrom, Steven L.

2012-01-01

Fourteen basins for which the Precipitation Runoff Modeling System has been calibrated and evaluated were selected as study sites. Precipitation Runoff Modeling System is a deterministic, distributed parameter watershed model developed to evaluate the effects of various combinations of precipitation, temperature, and land use on streamflow and general basin hydrology. Output from five General Circulation Model simulations and four emission scenarios were used to develop an ensemble of climate-change scenarios for each basin. These ensembles were simulated with the corresponding Precipitation Runoff Modeling System model. This fact sheet summarizes the hydrologic effect and sensitivity of the Precipitation Runoff Modeling System simulations to climate change for the Flint River Basin at Montezuma, Georgia.

Changing precipitation in western Europe, climate change or natural variability?

NASA Astrophysics Data System (ADS)

Aalbers, Emma; Lenderink, Geert; van Meijgaard, Erik; van den Hurk, Bart

2017-04-01

Multi-model RCM-GCM ensembles provide high resolution climate projections, valuable for among others climate impact assessment studies. While the application of multiple models (both GCMs and RCMs) provides a certain robustness with respect to model uncertainty, the interpretation of differences between ensemble members - the combined result of model uncertainty and natural variability of the climate system - is not straightforward. Natural variability is intrinsic to the climate system, and a potentially large source of uncertainty in climate change projections, especially for projections on the local to regional scale. To quantify the natural variability and get a robust estimate of the forced climate change response (given a certain model and forcing scenario), large ensembles of climate model simulations of the same model provide essential information. While for global climate models (GCMs) a number of such large single model ensembles exists and have been analyzed, for regional climate models (RCMs) the number and size of single model ensembles is limited, and the predictability of the forced climate response at the local to regional scale is still rather uncertain. We present a regional downscaling of a 16-member single model ensemble over western Europe and the Alps at a resolution of 0.11 degrees (˜12km), similar to the highest resolution EURO-CORDEX simulations. This 16-member ensemble was generated by the GCM EC-EARTH, which was downscaled with the RCM RACMO for the period 1951-2100. This single model ensemble has been investigated in terms of the ensemble mean response (our estimate of the forced climate response), as well as the difference between the ensemble members, which measures natural variability. We focus on the response in seasonal mean and extreme precipitation (seasonal maxima and extremes with a return period up to 20 years) for the near to far future. For most precipitation indices we can reliably determine the climate change signal, given the applied model chain and forcing scenario. However, the analysis also shows how limited the information in single ensemble members is on the local scale forced climate response, even for high levels of global warming when the forced response has emerged from natural variability. Analysis and application of multi-model ensembles like EURO-CORDEX should go hand-in-hand with single model ensembles, like the one presented here, to be able to correctly interpret the fine-scale information in terms of a forced signal and random noise due to natural variability.

Comparison of projection skills of deterministic ensemble methods using pseudo-simulation data generated from multivariate Gaussian distribution

NASA Astrophysics Data System (ADS)

Oh, Seok-Geun; Suh, Myoung-Seok

2017-07-01

The projection skills of five ensemble methods were analyzed according to simulation skills, training period, and ensemble members, using 198 sets of pseudo-simulation data (PSD) produced by random number generation assuming the simulated temperature of regional climate models. The PSD sets were classified into 18 categories according to the relative magnitude of bias, variance ratio, and correlation coefficient, where each category had 11 sets (including 1 truth set) with 50 samples. The ensemble methods used were as follows: equal weighted averaging without bias correction (EWA_NBC), EWA with bias correction (EWA_WBC), weighted ensemble averaging based on root mean square errors and correlation (WEA_RAC), WEA based on the Taylor score (WEA_Tay), and multivariate linear regression (Mul_Reg). The projection skills of the ensemble methods improved generally as compared with the best member for each category. However, their projection skills are significantly affected by the simulation skills of the ensemble member. The weighted ensemble methods showed better projection skills than non-weighted methods, in particular, for the PSD categories having systematic biases and various correlation coefficients. The EWA_NBC showed considerably lower projection skills than the other methods, in particular, for the PSD categories with systematic biases. Although Mul_Reg showed relatively good skills, it showed strong sensitivity to the PSD categories, training periods, and number of members. On the other hand, the WEA_Tay and WEA_RAC showed relatively superior skills in both the accuracy and reliability for all the sensitivity experiments. This indicates that WEA_Tay and WEA_RAC are applicable even for simulation data with systematic biases, a short training period, and a small number of ensemble members.

Creating "Intelligent" Climate Model Ensemble Averages Using a Process-Based Framework

NASA Astrophysics Data System (ADS)

Baker, N. C.; Taylor, P. C.

2014-12-01

The CMIP5 archive contains future climate projections from over 50 models provided by dozens of modeling centers from around the world. Individual model projections, however, are subject to biases created by structural model uncertainties. As a result, ensemble averaging of multiple models is often used to add value to model projections: consensus projections have been shown to consistently outperform individual models. Previous reports for the IPCC establish climate change projections based on an equal-weighted average of all model projections. However, certain models reproduce climate processes better than other models. Should models be weighted based on performance? Unequal ensemble averages have previously been constructed using a variety of mean state metrics. What metrics are most relevant for constraining future climate projections? This project develops a framework for systematically testing metrics in models to identify optimal metrics for unequal weighting multi-model ensembles. A unique aspect of this project is the construction and testing of climate process-based model evaluation metrics. A climate process-based metric is defined as a metric based on the relationship between two physically related climate variables—e.g., outgoing longwave radiation and surface temperature. Metrics are constructed using high-quality Earth radiation budget data from NASA's Clouds and Earth's Radiant Energy System (CERES) instrument and surface temperature data sets. It is found that regional values of tested quantities can vary significantly when comparing weighted and unweighted model ensembles. For example, one tested metric weights the ensemble by how well models reproduce the time-series probability distribution of the cloud forcing component of reflected shortwave radiation. The weighted ensemble for this metric indicates lower simulated precipitation (up to .7 mm/day) in tropical regions than the unweighted ensemble: since CMIP5 models have been shown to overproduce precipitation, this result could indicate that the metric is effective in identifying models which simulate more realistic precipitation. Ultimately, the goal of the framework is to identify performance metrics for advising better methods for ensemble averaging models and create better climate predictions.

Insights into the deterministic skill of air quality ensembles from the analysis of AQMEII data

EPA Science Inventory

Simulations from chemical weather models are subject to uncertainties in the input data (e.g. emission inventory, initial and boundary conditions) as well as those intrinsic to the model (e.g. physical parameterization, chemical mechanism). Multi-model ensembles can improve the f...

Creating "Intelligent" Ensemble Averages Using a Process-Based Framework

NASA Astrophysics Data System (ADS)

Baker, Noel; Taylor, Patrick

2014-05-01

The CMIP5 archive contains future climate projections from over 50 models provided by dozens of modeling centers from around the world. Individual model projections, however, are subject to biases created by structural model uncertainties. As a result, ensemble averaging of multiple models is used to add value to individual model projections and construct a consensus projection. Previous reports for the IPCC establish climate change projections based on an equal-weighted average of all model projections. However, individual models reproduce certain climate processes better than other models. Should models be weighted based on performance? Unequal ensemble averages have previously been constructed using a variety of mean state metrics. What metrics are most relevant for constraining future climate projections? This project develops a framework for systematically testing metrics in models to identify optimal metrics for unequal weighting multi-model ensembles. The intention is to produce improved ("intelligent") unequal-weight ensemble averages. A unique aspect of this project is the construction and testing of climate process-based model evaluation metrics. A climate process-based metric is defined as a metric based on the relationship between two physically related climate variables—e.g., outgoing longwave radiation and surface temperature. Several climate process metrics are constructed using high-quality Earth radiation budget data from NASA's Clouds and Earth's Radiant Energy System (CERES) instrument in combination with surface temperature data sets. It is found that regional values of tested quantities can vary significantly when comparing the equal-weighted ensemble average and an ensemble weighted using the process-based metric. Additionally, this study investigates the dependence of the metric weighting scheme on the climate state using a combination of model simulations including a non-forced preindustrial control experiment, historical simulations, and several radiative forcing Representative Concentration Pathway (RCP) scenarios. Ultimately, the goal of the framework is to advise better methods for ensemble averaging models and create better climate predictions.

Long-term ensemble forecast of snowmelt inflow into the Cheboksary Reservoir under two different weather scenarios

NASA Astrophysics Data System (ADS)

Gelfan, Alexander; Moreydo, Vsevolod; Motovilov, Yury; Solomatine, Dimitri P.

2018-04-01

A long-term forecasting ensemble methodology, applied to water inflows into the Cheboksary Reservoir (Russia), is presented. The methodology is based on a version of the semi-distributed hydrological model ECOMAG (ECOlogical Model for Applied Geophysics) that allows for the calculation of an ensemble of inflow hydrographs using two different sets of weather ensembles for the lead time period: observed weather data, constructed on the basis of the Ensemble Streamflow Prediction methodology (ESP-based forecast), and synthetic weather data, simulated by a multi-site weather generator (WG-based forecast). We have studied the following: (1) whether there is any advantage of the developed ensemble forecasts in comparison with the currently issued operational forecasts of water inflow into the Cheboksary Reservoir, and (2) whether there is any noticeable improvement in probabilistic forecasts when using the WG-simulated ensemble compared to the ESP-based ensemble. We have found that for a 35-year period beginning from the reservoir filling in 1982, both continuous and binary model-based ensemble forecasts (issued in the deterministic form) outperform the operational forecasts of the April-June inflow volume actually used and, additionally, provide acceptable forecasts of additional water regime characteristics besides the inflow volume. We have also demonstrated that the model performance measures (in the verification period) obtained from the WG-based probabilistic forecasts, which are based on a large number of possible weather scenarios, appeared to be more statistically reliable than the corresponding measures calculated from the ESP-based forecasts based on the observed weather scenarios.

A method for ensemble wildland fire simulation

Treesearch

Mark A. Finney; Isaac C. Grenfell; Charles W. McHugh; Robert C. Seli; Diane Trethewey; Richard D. Stratton; Stuart Brittain

2011-01-01

An ensemble simulation system that accounts for uncertainty in long-range weather conditions and two-dimensional wildland fire spread is described. Fuel moisture is expressed based on the energy release component, a US fire danger rating index, and its variation throughout the fire season is modeled using time series analysis of historical weather data. This analysis...

Effects of Ensemble Configuration on Estimates of Regional Climate Uncertainties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Goldenson, N.; Mauger, G.; Leung, L. R.

Internal variability in the climate system can contribute substantial uncertainty in climate projections, particularly at regional scales. Internal variability can be quantified using large ensembles of simulations that are identical but for perturbed initial conditions. Here we compare methods for quantifying internal variability. Our study region spans the west coast of North America, which is strongly influenced by El Niño and other large-scale dynamics through their contribution to large-scale internal variability. Using a statistical framework to simultaneously account for multiple sources of uncertainty, we find that internal variability can be quantified consistently using a large ensemble or an ensemble ofmore » opportunity that includes small ensembles from multiple models and climate scenarios. The latter also produce estimates of uncertainty due to model differences. We conclude that projection uncertainties are best assessed using small single-model ensembles from as many model-scenario pairings as computationally feasible, which has implications for ensemble design in large modeling efforts.« less

Forecasting European cold waves based on subsampling strategies of CMIP5 and Euro-CORDEX ensembles

NASA Astrophysics Data System (ADS)

Cordero-Llana, Laura; Braconnot, Pascale; Vautard, Robert; Vrac, Mathieu; Jezequel, Aglae

2016-04-01

Forecasting future extreme events under the present changing climate represents a difficult task. Currently there are a large number of ensembles of simulations for climate projections that take in account different models and scenarios. However, there is a need for reducing the size of the ensemble to make the interpretation of these simulations more manageable for impact studies or climate risk assessment. This can be achieved by developing subsampling strategies to identify a limited number of simulations that best represent the ensemble. In this study, cold waves are chosen to test different approaches for subsampling available simulations. The definition of cold waves depends on the criteria used, but they are generally defined using a minimum temperature threshold, the duration of the cold spell as well as their geographical extend. These climate indicators are not universal, highlighting the difficulty of directly comparing different studies. As part of the of the CLIPC European project, we use daily surface temperature data obtained from CMIP5 outputs as well as Euro-CORDEX simulations to predict future cold waves events in Europe. From these simulations a clustering method is applied to minimise the number of ensembles required. Furthermore, we analyse the different uncertainties that arise from the different model characteristics and definitions of climate indicators. Finally, we will test if the same subsampling strategy can be used for different climate indicators. This will facilitate the use of the subsampling results for a wide number of impact assessment studies.

Advanced Atmospheric Ensemble Modeling Techniques

DOE Office of Scientific and Technical Information (OSTI.GOV)

Buckley, R.; Chiswell, S.; Kurzeja, R.

Ensemble modeling (EM), the creation of multiple atmospheric simulations for a given time period, has become an essential tool for characterizing uncertainties in model predictions. We explore two novel ensemble modeling techniques: (1) perturbation of model parameters (Adaptive Programming, AP), and (2) data assimilation (Ensemble Kalman Filter, EnKF). The current research is an extension to work from last year and examines transport on a small spatial scale (<100 km) in complex terrain, for more rigorous testing of the ensemble technique. Two different release cases were studied, a coastal release (SF6) and an inland release (Freon) which consisted of two releasemore » times. Observations of tracer concentration and meteorology are used to judge the ensemble results. In addition, adaptive grid techniques have been developed to reduce required computing resources for transport calculations. Using a 20- member ensemble, the standard approach generated downwind transport that was quantitatively good for both releases; however, the EnKF method produced additional improvement for the coastal release where the spatial and temporal differences due to interior valley heating lead to the inland movement of the plume. The AP technique showed improvements for both release cases, with more improvement shown in the inland release. This research demonstrated that transport accuracy can be improved when models are adapted to a particular location/time or when important local data is assimilated into the simulation and enhances SRNL’s capability in atmospheric transport modeling in support of its current customer base and local site missions, as well as our ability to attract new customers within the intelligence community.« less

Ensemble sea ice forecast for predicting compressive situations in the Baltic Sea

NASA Astrophysics Data System (ADS)

Lehtiranta, Jonni; Lensu, Mikko; Kokkonen, Iiro; Haapala, Jari

2017-04-01

Forecasting of sea ice hazards is important for winter shipping in the Baltic Sea. In current numerical models the ice thickness distribution and drift are captured well, but compressive situations are often missing from forecast products. Its inclusion is requested by the shipping community, as compression poses a threat to ship operations. As compressing ice is capable of stopping ships for days and even damaging them, its inclusion in ice forecasts is vital. However, we have found that compression can not be predicted well in a deterministic forecast, since it can be a local and a quickly changing phenomenon. It is also very sensitive to small changes in the wind speed and direction, the prevailing ice conditions, and the model parameters. Thus, a probabilistic ensemble simulation is needed to produce a meaningful compression forecast. An ensemble model setup was developed in the SafeWIN project for this purpose. It uses the HELMI multicategory ice model, which was amended for making simulations in parallel. The ensemble was built by perturbing the atmospheric forcing and the physical parameters of the ice pack. The model setup will provide probabilistic forecasts for the compression in the Baltic sea ice. Additionally the model setup provides insight into the uncertainties related to different model parameters and their impact on the model results. We have completed several hindcast simulations for the Baltic Sea for verification purposes. These results are shown to match compression reports gathered from ships. In addition, an ensemble forecast is in preoperational testing phase and its first evaluation will be presented in this work.

Dynamical downscaling of regional climate over eastern China using RSM with multiple physics scheme ensembles

NASA Astrophysics Data System (ADS)

Peishu, Zong; Jianping, Tang; Shuyu, Wang; Lingyun, Xie; Jianwei, Yu; Yunqian, Zhu; Xiaorui, Niu; Chao, Li

2017-08-01

The parameterization of physical processes is one of the critical elements to properly simulate the regional climate over eastern China. It is essential to conduct detailed analyses on the effect of physical parameterization schemes on regional climate simulation, to provide more reliable regional climate change information. In this paper, we evaluate the 25-year (1983-2007) summer monsoon climate characteristics of precipitation and surface air temperature by using the regional spectral model (RSM) with different physical schemes. The ensemble results using the reliability ensemble averaging (REA) method are also assessed. The result shows that the RSM model has the capacity to reproduce the spatial patterns, the variations, and the temporal tendency of surface air temperature and precipitation over eastern China. And it tends to predict better climatology characteristics over the Yangtze River basin and the South China. The impact of different physical schemes on RSM simulations is also investigated. Generally, the CLD3 cloud water prediction scheme tends to produce larger precipitation because of its overestimation of the low-level moisture. The systematic biases derived from the KF2 cumulus scheme are larger than those from the RAS scheme. The scale-selective bias correction (SSBC) method improves the simulation of the temporal and spatial characteristics of surface air temperature and precipitation and advances the circulation simulation capacity. The REA ensemble results show significant improvement in simulating temperature and precipitation distribution, which have much higher correlation coefficient and lower root mean square error. The REA result of selected experiments is better than that of nonselected experiments, indicating the necessity of choosing better ensemble samples for ensemble.

CABS-flex: Server for fast simulation of protein structure fluctuations.

PubMed

Jamroz, Michal; Kolinski, Andrzej; Kmiecik, Sebastian

2013-07-01

The CABS-flex server (http://biocomp.chem.uw.edu.pl/CABSflex) implements CABS-model-based protocol for the fast simulations of near-native dynamics of globular proteins. In this application, the CABS model was shown to be a computationally efficient alternative to all-atom molecular dynamics--a classical simulation approach. The simulation method has been validated on a large set of molecular dynamics simulation data. Using a single input (user-provided file in PDB format), the CABS-flex server outputs an ensemble of protein models (in all-atom PDB format) reflecting the flexibility of the input structure, together with the accompanying analysis (residue mean-square-fluctuation profile and others). The ensemble of predicted models can be used in structure-based studies of protein functions and interactions.

Uncertainty of global summer precipitation in the CMIP5 models: a comparison between high-resolution and low-resolution models

NASA Astrophysics Data System (ADS)

Huang, Danqing; Yan, Peiwen; Zhu, Jian; Zhang, Yaocun; Kuang, Xueyuan; Cheng, Jing

2018-04-01

The uncertainty of global summer precipitation simulated by the 23 CMIP5 CGCMs and the possible impacts of model resolutions are investigated in this study. Large uncertainties exist over the tropical and subtropical regions, which can be mainly attributed to convective precipitation simulation. High-resolution models (HRMs) and low-resolution models (LRMs) are further investigated to demonstrate their different contributions to the uncertainties of the ensemble mean. It shows that the high-resolution model ensemble means (HMME) and low-resolution model ensemble mean (LMME) mitigate the biases between the MME and observation over most continents and oceans, respectively. The HMME simulates more precipitation than the LMME over most oceans, but less precipitation over some continents. The dominant precipitation category in the HRMs (LRMs) is the heavy precipitation (moderate precipitation) over the tropic regions. The combinations of convective and stratiform precipitation are also quite different: the HMME has much higher ratio of stratiform precipitation while the LMME has more convective precipitation. Finally, differences in precipitation between the HMME and LMME can be traced to their differences in the SST simulations via the local and remote air-sea interaction.

Optimal averaging of soil moisture predictions from ensemble land surface model simulations

USDA-ARS?s Scientific Manuscript database

The correct interpretation of ensemble information obtained from the parallel implementation of multiple land surface models (LSMs) requires information concerning the LSM ensemble’s mutual error covariance. Here we propose a new technique for obtaining such information using an instrumental variabl...

Short ensembles: An Efficient Method for Discerning Climate-relevant Sensitivities in Atmospheric General Circulation Models

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wan, Hui; Rasch, Philip J.; Zhang, Kai

2014-09-08

This paper explores the feasibility of an experimentation strategy for investigating sensitivities in fast components of atmospheric general circulation models. The basic idea is to replace the traditional serial-in-time long-term climate integrations by representative ensembles of shorter simulations. The key advantage of the proposed method lies in its efficiency: since fewer days of simulation are needed, the computational cost is less, and because individual realizations are independent and can be integrated simultaneously, the new dimension of parallelism can dramatically reduce the turnaround time in benchmark tests, sensitivities studies, and model tuning exercises. The strategy is not appropriate for exploring sensitivitymore » of all model features, but it is very effective in many situations. Two examples are presented using the Community Atmosphere Model version 5. The first example demonstrates that the method is capable of characterizing the model cloud and precipitation sensitivity to time step length. A nudging technique is also applied to an additional set of simulations to help understand the contribution of physics-dynamics interaction to the detected time step sensitivity. In the second example, multiple empirical parameters related to cloud microphysics and aerosol lifecycle are perturbed simultaneously in order to explore which parameters have the largest impact on the simulated global mean top-of-atmosphere radiation balance. Results show that in both examples, short ensembles are able to correctly reproduce the main signals of model sensitivities revealed by traditional long-term climate simulations for fast processes in the climate system. The efficiency of the ensemble method makes it particularly useful for the development of high-resolution, costly and complex climate models.« less

Optimal averaging of soil moisture predictions from ensemble land surface model simulations

USDA-ARS?s Scientific Manuscript database

The correct interpretation of ensemble 3 soil moisture information obtained from the parallel implementation of multiple land surface models (LSMs) requires information concerning the LSM ensemble’s mutual error covariance. Here we propose a new technique for obtaining such information using an inst...

Simulation of future groundwater recharge using a climate model ensemble and SAR-image based soil parameter distributions - A case study in an intensively-used Mediterranean catchment.

PubMed

Herrmann, Frank; Baghdadi, Nicolas; Blaschek, Michael; Deidda, Roberto; Duttmann, Rainer; La Jeunesse, Isabelle; Sellami, Haykel; Vereecken, Harry; Wendland, Frank

2016-02-01

We used observed climate data, an ensemble of four GCM-RCM combinations (global and regional climate models) and the water balance model mGROWA to estimate present and future groundwater recharge for the intensively-used Thau lagoon catchment in southern France. In addition to a highly resolved soil map, soil moisture distributions obtained from SAR-images (Synthetic Aperture Radar) were used to derive the spatial distribution of soil parameters covering the full simulation domain. Doing so helped us to assess the impact of different soil parameter sources on the modelled groundwater recharge levels. Groundwater recharge was simulated in monthly time steps using the ensemble approach and analysed in its spatial and temporal variability. The soil parameters originating from both sources led to very similar groundwater recharge rates, proving that soil parameters derived from SAR images may replace traditionally used soil maps in regions where soil maps are sparse or missing. Additionally, we showed that the variance in different GCM-RCMs influences the projected magnitude of future groundwater recharge change significantly more than the variance in the soil parameter distributions derived from the two different sources. For the period between 1950 and 2100, climate change impacts based on the climate model ensemble indicated that overall groundwater recharge will possibly show a low to moderate decrease in the Thau catchment. However, as no clear trend resulted from the ensemble simulations, reliable recommendations for adapting the regional groundwater management to changed available groundwater volumes could not be derived. Copyright © 2015 Elsevier B.V. All rights reserved.

Simulation of tropical cyclone activity over the western North Pacific based on CMIP5 models

NASA Astrophysics Data System (ADS)

Shen, Haibo; Zhou, Weican; Zhao, Haikun

2017-09-01

Based on the Coupled Model Inter-comparison Project 5 (CMIP5) models, the tropical cyclone (TC) activity in the summers of 1965-2005 over the western North Pacific (WNP) is simulated by a TC dynamically downscaling system. In consideration of diversity among climate models, Bayesian model averaging (BMA) and equal-weighed model averaging (EMA) methods are applied to produce the ensemble large-scale environmental factors of the CMIP5 model outputs. The environmental factors generated by BMA and EMA methods are compared, as well as the corresponding TC simulations by the downscaling system. Results indicate that BMA method shows a significant advantage over the EMA. In addition, impacts of model selections on BMA method are examined. To each factor, ten models with better performance are selected from 30 CMIP5 models and then conduct BMA, respectively. As a consequence, the ensemble environmental factors and simulated TC activity are similar with the results from the 30 models' BMA, which verifies the BMA method can afford corresponding weight for each model in the ensemble based on the model's predictive skill. Thereby, the existence of poor performance models will not particularly affect the BMA effectiveness and the ensemble outcomes are improved. Finally, based upon the BMA method and downscaling system, we analyze the sensitivity of TC activity to three important environmental factors, i.e., sea surface temperature (SST), large-scale steering flow, and vertical wind shear. Among three factors, SST and large-scale steering flow greatly affect TC tracks, while average intensity distribution is sensitive to all three environmental factors. Moreover, SST and vertical wind shear jointly play a critical role in the inter-annual variability of TC lifetime maximum intensity and frequency of intense TCs.

Evolution of Precipitation Extremes in Three Large Ensembles of Climate Simulations - Impact of Spatial and Temporal Resolutions

NASA Astrophysics Data System (ADS)

Martel, J. L.; Brissette, F.; Mailhot, A.; Wood, R. R.; Ludwig, R.; Frigon, A.; Leduc, M.; Turcotte, R.

2017-12-01

Recent studies indicate that the frequency and intensity of extreme precipitation will increase in future climate due to global warming. In this study, we compare annual maxima precipitation series from three large ensembles of climate simulations at various spatial and temporal resolutions. The first two are at the global scale: the Canadian Earth System Model (CanESM2) 50-member large ensemble (CanESM2-LE) at a 2.8° resolution and the Community Earth System Model (CESM1) 40-member large ensemble (CESM1-LE) at a 1° resolution. The third ensemble is at the regional scale over both Eastern North America and Europe: the Canadian Regional Climate Model (CRCM5) 50-member large ensemble (CRCM5-LE) at a 0.11° resolution, driven at its boundaries by the CanESM-LE. The CRCM5-LE is a new ensemble issued from the ClimEx project (http://www.climex-project.org), a Québec-Bavaria collaboration. Using these three large ensembles, change in extreme precipitations over the historical (1980-2010) and future (2070-2100) periods are investigated. This results in 1 500 (30 years x 50 members for CanESM2-LE and CRCM5-LE) and 1200 (30 years x 40 members for CESM1-LE) simulated years over both the historical and future periods. Using these large datasets, the empirical daily (and sub-daily for CRCM5-LE) extreme precipitation quantiles for large return periods ranging from 2 to 100 years are computed. Results indicate that daily extreme precipitations generally will increase over most land grid points of both domains according to the three large ensembles. Regarding the CRCM5-LE, the increase in sub-daily extreme precipitations will be even more important than the one observed for daily extreme precipitations. Considering that many public infrastructures have lifespans exceeding 75 years, the increase in extremes has important implications on service levels of water infrastructures and public safety.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ortoleva, Peter J.

Illustrative embodiments of systems and methods for the deductive multiscale simulation of macromolecules are disclosed. In one illustrative embodiment, a deductive multiscale simulation method may include (i) constructing a set of order parameters that model one or more structural characteristics of a macromolecule, (ii) simulating an ensemble of atomistic configurations for the macromolecule using instantaneous values of the set of order parameters, (iii) simulating thermal-average forces and diffusivities for the ensemble of atomistic configurations, and (iv) evolving the set of order parameters via Langevin dynamics using the thermal-average forces and diffusivities.

Investigating energy-based pool structure selection in the structure ensemble modeling with experimental distance constraints: The example from a multidomain protein Pub1.

PubMed

Zhu, Guanhua; Liu, Wei; Bao, Chenglong; Tong, Dudu; Ji, Hui; Shen, Zuowei; Yang, Daiwen; Lu, Lanyuan

2018-05-01

The structural variations of multidomain proteins with flexible parts mediate many biological processes, and a structure ensemble can be determined by selecting a weighted combination of representative structures from a simulated structure pool, producing the best fit to experimental constraints such as interatomic distance. In this study, a hybrid structure-based and physics-based atomistic force field with an efficient sampling strategy is adopted to simulate a model di-domain protein against experimental paramagnetic relaxation enhancement (PRE) data that correspond to distance constraints. The molecular dynamics simulations produce a wide range of conformations depicted on a protein energy landscape. Subsequently, a conformational ensemble recovered with low-energy structures and the minimum-size restraint is identified in good agreement with experimental PRE rates, and the result is also supported by chemical shift perturbations and small-angle X-ray scattering data. It is illustrated that the regularizations of energy and ensemble-size prevent an arbitrary interpretation of protein conformations. Moreover, energy is found to serve as a critical control to refine the structure pool and prevent data overfitting, because the absence of energy regularization exposes ensemble construction to the noise from high-energy structures and causes a more ambiguous representation of protein conformations. Finally, we perform structure-ensemble optimizations with a topology-based structure pool, to enhance the understanding on the ensemble results from different sources of pool candidates. © 2018 Wiley Periodicals, Inc.

Supermodeling With A Global Atmospheric Model

NASA Astrophysics Data System (ADS)

Wiegerinck, Wim; Burgers, Willem; Selten, Frank

2013-04-01

In weather and climate prediction studies it often turns out to be the case that the multi-model ensemble mean prediction has the best prediction skill scores. One possible explanation is that the major part of the model error is random and is averaged out in the ensemble mean. In the standard multi-model ensemble approach, the models are integrated in time independently and the predicted states are combined a posteriori. Recently an alternative ensemble prediction approach has been proposed in which the models exchange information during the simulation and synchronize on a common solution that is closer to the truth than any of the individual model solutions in the standard multi-model ensemble approach or a weighted average of these. This approach is called the super modeling approach (SUMO). The potential of the SUMO approach has been demonstrated in the context of simple, low-order, chaotic dynamical systems. The information exchange takes the form of linear nudging terms in the dynamical equations that nudge the solution of each model to the solution of all other models in the ensemble. With a suitable choice of the connection strengths the models synchronize on a common solution that is indeed closer to the true system than any of the individual model solutions without nudging. This approach is called connected SUMO. An alternative approach is to integrate a weighted averaged model, weighted SUMO. At each time step all models in the ensemble calculate the tendency, these tendencies are weighted averaged and the state is integrated one time step into the future with this weighted averaged tendency. It was shown that in case the connected SUMO synchronizes perfectly, the connected SUMO follows the weighted averaged trajectory and both approaches yield the same solution. In this study we pioneer both approaches in the context of a global, quasi-geostrophic, three-level atmosphere model that is capable of simulating quite realistically the extra-tropical circulation in the Northern Hemisphere winter.

A statistical analysis of three ensembles of crop model responses to temperature and CO2 concentration

USDA-ARS?s Scientific Manuscript database

Ensembles of process-based crop models are now commonly used to simulate crop growth and development for climate scenarios of temperature and/or precipitation changes corresponding to different projections of atmospheric CO2 concentrations. This approach generates large datasets with thousands of de...

An ensemble approach to simulate CO2 emissions from natural fires

NASA Astrophysics Data System (ADS)

Eliseev, A. V.; Mokhov, I. I.; Chernokulsky, A. V.

2014-06-01

This paper presents ensemble simulations with the global climate model developed at the A. M. Obukhov Institute of Atmospheric Physics, Russian Academy of Sciences (IAP RAS CM). These simulations are forced by historical reconstructions of concentrations of well-mixed greenhouse gases (CO2, CH4, and N2O), sulfate aerosols (both in the troposphere and stratosphere), extent of crops and pastures, and total solar irradiance for AD 850-2005 (hereafter all years are taken as being AD) and by the Representative Concentration Pathway (RCP) scenarios for the same forcing agents until the year 2300. Our model implements GlobFIRM (Global FIRe Model) as a scheme for calculating characteristics of natural fires. Comparing to the original GlobFIRM model, in our implementation, the scheme is extended by a module accounting for CO2 release from soil during fires. The novel approach of our paper is to simulate natural fires in an ensemble fashion. Different ensemble members in the present paper are constructed by varying the values of parameters of the natural fires module. These members are constrained by the GFED-3.1 data set for the burnt area and CO2 release from fires and further subjected to Bayesian averaging. Our simulations are the first coupled model assessment of future changes in gross characteristics of natural fires. In our model, the present-day (1998-2011) global area burnt due to natural fires is (2.1 ± 0.4) × 106 km2 yr-1 (ensemble mean and intra-ensemble standard deviation are presented), and the respective CO2 emissions to the atmosphere are (1.4 ± 0.2) Pg C yr-1. The latter value is in agreement with the corresponding GFED estimates. The area burnt by natural fires is generally larger than the GFED estimates except in boreal Eurasia, where it is realistic, and in Australia, where it is smaller than these estimates. Regionally, the modelled CO2 emissions are larger (smaller) than the GFED estimates in Europe (in the tropics and north-eastern Eurasia). From 1998-2011 to 2091-2100, the ensemble mean global burnt area is increased by 13% (28%, 36%, 51%) under scenario RCP 2.6 (RCP 4.5, RCP 6.0, RCP 8.5). The corresponding global emissions increase is 14% (29%, 37%, 42%). From 2091-2100 to 2291-2300, under the mitigation scenario RCP 2.6 the ensemble mean global burnt area and the respective CO2 emissions slightly decrease, both by 5% relative to their values in the period 2091-2100. In turn, under scenario RCP 4.5 (RCP 6.0, RCP 8.5) the ensemble mean burnt area in the period 2291-2100 is higher by 15% (44%, 83%) than its mean value, and the ensemble mean CO2 emissions are correspondingly higher by 9% (19%, 31%). The simulated changes of natural fire characteristics in the 21st-23rd centuries are associated mostly with the corresponding changes in boreal regions of Eurasia and North America. However, under the RCP 8.5 scenario, the increase of the burnt area and CO2 emissions in boreal regions during the 22nd and 23rd centuries is accompanied by the respective decreases in the tropics and subtropics.

Ensemble Downscaling of Winter Seasonal Forecasts: The MRED Project

NASA Astrophysics Data System (ADS)

Arritt, R. W.; Mred Team

2010-12-01

The Multi-Regional climate model Ensemble Downscaling (MRED) project is a multi-institutional project that is producing large ensembles of downscaled winter seasonal forecasts from coupled atmosphere-ocean seasonal prediction models. Eight regional climate models each are downscaling 15-member ensembles from the National Centers for Environmental Prediction (NCEP) Climate Forecast System (CFS) and the new NASA seasonal forecast system based on the GEOS5 atmospheric model coupled with the MOM4 ocean model. This produces 240-member ensembles, i.e., 8 regional models x 15 global ensemble members x 2 global models, for each winter season (December-April) of 1982-2003. Results to date show that combined global-regional downscaled forecasts have greatest skill for seasonal precipitation anomalies during strong El Niño events such as 1982-83 and 1997-98. Ensemble means of area-averaged seasonal precipitation for the regional models generally track the corresponding results for the global model, though there is considerable inter-model variability amongst the regional models. For seasons and regions where area mean precipitation is accurately simulated the regional models bring added value by extracting greater spatial detail from the global forecasts, mainly due to better resolution of terrain in the regional models. Our results also emphasize that an ensemble approach is essential to realizing the added value from the combined global-regional modeling system.

Symmetry Transition Preserving Chirality in QCD: A Versatile Random Matrix Model

NASA Astrophysics Data System (ADS)

Kanazawa, Takuya; Kieburg, Mario

2018-06-01

We consider a random matrix model which interpolates between the chiral Gaussian unitary ensemble and the Gaussian unitary ensemble while preserving chiral symmetry. This ensemble describes flavor symmetry breaking for staggered fermions in 3D QCD as well as in 4D QCD at high temperature or in 3D QCD at a finite isospin chemical potential. Our model is an Osborn-type two-matrix model which is equivalent to the elliptic ensemble but we consider the singular value statistics rather than the complex eigenvalue statistics. We report on exact results for the partition function and the microscopic level density of the Dirac operator in the ɛ regime of QCD. We compare these analytical results with Monte Carlo simulations of the matrix model.

CABS-flex: server for fast simulation of protein structure fluctuations

PubMed Central

Jamroz, Michal; Kolinski, Andrzej; Kmiecik, Sebastian

2013-01-01

The CABS-flex server (http://biocomp.chem.uw.edu.pl/CABSflex) implements CABS-model–based protocol for the fast simulations of near-native dynamics of globular proteins. In this application, the CABS model was shown to be a computationally efficient alternative to all-atom molecular dynamics—a classical simulation approach. The simulation method has been validated on a large set of molecular dynamics simulation data. Using a single input (user-provided file in PDB format), the CABS-flex server outputs an ensemble of protein models (in all-atom PDB format) reflecting the flexibility of the input structure, together with the accompanying analysis (residue mean-square-fluctuation profile and others). The ensemble of predicted models can be used in structure-based studies of protein functions and interactions. PMID:23658222

A WRF/Chem sensitivity study using ensemble modelling for a high ozone episode in Slovenia and the Northern Adriatic area

NASA Astrophysics Data System (ADS)

Žabkar, Rahela; Koračin, Darko; Rakovec, Jože

2013-10-01

A high ozone (O3) concentrations episode during a heat wave event in the Northeastern Mediterranean was investigated using the WRF/Chem model. To understand the major model uncertainties and errors as well as the impacts of model inputs on the model accuracy, an ensemble modelling experiment was conducted. The 51-member ensemble was designed by varying model physics parameterization options (PBL schemes with different surface layer and land-surface modules, and radiation schemes); chemical initial and boundary conditions; anthropogenic and biogenic emission inputs; and model domain setup and resolution. The main impacts of the geographical and emission characteristics of three distinct regions (suburban Mediterranean, continental urban, and continental rural) on the model accuracy and O3 predictions were investigated. In spite of the large ensemble set size, the model generally failed to simulate the extremes; however, as expected from probabilistic forecasting the ensemble spread improved results with respect to extremes compared to the reference run. Noticeable model nighttime overestimations at the Mediterranean and some urban and rural sites can be explained by too strong simulated winds, which reduce the impact of dry deposition and O3 titration in the near surface layers during the nighttime. Another possible explanation could be inaccuracies in the chemical mechanisms, which are suggested also by model insensitivity to variations in the nitrogen oxides (NOx) and volatile organic compounds (VOC) emissions. Major impact factors for underestimations of the daytime O3 maxima at the Mediterranean and some rural sites include overestimation of the PBL depths, a lack of information on forest fires, too strong surface winds, and also possible inaccuracies in biogenic emissions. This numerical experiment with the ensemble runs also provided guidance on an optimum model setup and input data.

Simulating large-scale crop yield by using perturbed-parameter ensemble method

NASA Astrophysics Data System (ADS)

Iizumi, T.; Yokozawa, M.; Sakurai, G.; Nishimori, M.

2010-12-01

Toshichika Iizumi, Masayuki Yokozawa, Gen Sakurai, Motoki Nishimori Agro-Meteorology Division, National Institute for Agro-Environmental Sciences, Japan Abstract One of concerning issues of food security under changing climate is to predict the inter-annual variation of crop production induced by climate extremes and modulated climate. To secure food supply for growing world population, methodology that can accurately predict crop yield on a large scale is needed. However, for developing a process-based large-scale crop model with a scale of general circulation models (GCMs), 100 km in latitude and longitude, researchers encounter the difficulties in spatial heterogeneity of available information on crop production such as cultivated cultivars and management. This study proposed an ensemble-based simulation method that uses a process-based crop model and systematic parameter perturbation procedure, taking maize in U.S., China, and Brazil as examples. The crop model was developed modifying the fundamental structure of the Soil and Water Assessment Tool (SWAT) to incorporate the effect of heat stress on yield. We called the new model PRYSBI: the Process-based Regional-scale Yield Simulator with Bayesian Inference. The posterior probability density function (PDF) of 17 parameters, which represents the crop- and grid-specific features of the crop and its uncertainty under given data, was estimated by the Bayesian inversion analysis. We then take 1500 ensemble members of simulated yield values based on the parameter sets sampled from the posterior PDF to describe yearly changes of the yield, i.e. perturbed-parameter ensemble method. The ensemble median for 27 years (1980-2006) was compared with the data aggregated from the county yield. On a country scale, the ensemble median of the simulated yield showed a good correspondence with the reported yield: the Pearson’s correlation coefficient is over 0.6 for all countries. In contrast, on a grid scale, the correspondence is still high in most grids regardless of the countries. However, the model showed comparatively low reproducibility in the slope areas, such as around the Rocky Mountains in South Dakota, around the Great Xing'anling Mountains in Heilongjiang, and around the Brazilian Plateau. As there is a wide-ranging local climate conditions in the complex terrain, such as the slope of mountain, the GCM grid-scale weather inputs is likely one of major sources of error. The results of this study highlight the benefits of the perturbed-parameter ensemble method in simulating crop yield on a GCM grid scale: (1) the posterior PDF of parameter could quantify the uncertainty of parameter value of the crop model associated with the local crop production aspects; (2) the method can explicitly account for the uncertainty of parameter value in the crop model simulations; (3) the method achieve a Monte Carlo approximation of probability of sub-grid scale yield, accounting for the nonlinear response of crop yield to weather and management; (4) the method is therefore appropriate to aggregate the simulated sub-grid scale yields to a grid-scale yield and it may be a reason for high performance of the model in capturing inter-annual variation of yield.

Arctic Sea Ice Simulation in the PlioMIP Ensemble

NASA Technical Reports Server (NTRS)

Howell, Fergus W.; Haywood, Alan M.; Otto-Bliesner, Bette L.; Bragg, Fran; Chan, Wing-Le; Chandler, Mark A.; Contoux, Camille; Kamae, Youichi; Abe-Ouchi, Ayako; Rosenbloom, Nan A.;

Nonlocal continuous models for forced vibration analysis of two- and three-dimensional ensembles of single-walled carbon nanotubes

NASA Astrophysics Data System (ADS)

Kiani, Keivan

2014-06-01

Novel nonlocal discrete and continuous models are proposed for dynamic analysis of two- and three-dimensional ensembles of single-walled carbon nanotubes (SWCNTs). The generated extra van der Waals forces between adjacent SWCNTs due to their lateral motions are evaluated via Lennard-Jones potential function. Using a nonlocal Rayleigh beam model, the discrete and continuous models are developed for both two- and three-dimensional ensembles of SWCNTs acted upon by transverse dynamic loads. The capabilities of the proposed continuous models in capturing the vibration behavior of SWCNTs ensembles are then examined through various numerical simulations. A reasonably good agreement between the results of the continuous models and those of the discrete ones is also reported. The effects of the applied load frequency, intertube spaces, and small-scale parameter on the transverse dynamic responses of both two- and three-dimensional ensembles of SWCNTs are explained. The proposed continuous models would be very useful for dynamic analyses of large populated ensembles of SWCNTs whose discrete models suffer from both computational efforts and labor costs.

Evaluation of CMIP5 and CORDEX Derived Wind Wave Climate in Arabian Sea and Bay of Bengal

NASA Astrophysics Data System (ADS)

Chowdhury, P.; Behera, M. R.

2017-12-01

Climate change impact on surface ocean wave parameters need robust assessment for effective coastal zone management. Climate model skill to simulate dynamical General Circulation Models (GCMs) and Regional Circulation Models (RCMs) forced wind-wave climate over northern Indian Ocean is assessed in the present work. The historical dynamical wave climate is simulated using surface winds derived from four GCMs and four RCMs, participating in the Coupled Model Inter-comparison Project (CMIP5) and Coordinated Regional Climate Downscaling Experiment (CORDEX-South Asia), respectively, and their ensemble are used to force a spectral wave model. The surface winds derived from GCMs and RCMs are corrected for bias, using Quantile Mapping method, before being forced to the spectral wave model. The climatological properties of wave parameters (significant wave height (Hs), mean wave period (Tp) and direction (θm)) are evaluated relative to ERA-Interim historical wave reanalysis datasets over Arabian Sea (AS) and Bay of Bengal (BoB) regions of the northern Indian Ocean for a period of 27 years. We identify that the nearshore wave climate of AS is better predicted than the BoB by both GCMs and RCMs. Ensemble GCM simulated Hs in AS has a better correlation with ERA-Interim ( 90%) than in BoB ( 80%), whereas ensemble RCM simulated Hs has a low correlation in both regions ( 50% in AS and 45% in BoB). In AS, ensemble GCM simulated Tp has better predictability ( 80%) compared to ensemble RCM ( 65%). However, neither GCM nor RCM could satisfactorily predict Tp in nearshore BoB. Wave direction is poorly simulated by GCMs and RCMs in both AS and BoB, with correlation around 50% with GCMs and 60% with RCMs wind derived simulations. However, upon comparing individual RCMs with their parent GCMs, it is found that few of the RCMs predict wave properties better than their parent GCMs. It may be concluded that there is no consistent added value by RCMs over GCMs forced wind-wave climate over northern Indian Ocean. We also identify that there is little to no significance of choosing a finer resolution GCM ( 1.4°) over a coarse GCM ( 2.8°) in improving skill of GCM forced dynamical wave simulations.

Impact of Soil Moisture Initialization on Seasonal Weather Prediction

NASA Technical Reports Server (NTRS)

Koster, Randal D.; Suarez, Max J.; Houser, Paul (Technical Monitor)

2002-01-01

The potential role of soil moisture initialization in seasonal forecasting is illustrated through ensembles of simulations with the NASA Seasonal-to-Interannual Prediction Project (NSIPP) model. For each boreal summer during 1997-2001, we generated two 16-member ensembles of 3-month simulations. The first, "AMIP-style" ensemble establishes the degree to which a perfect prediction of SSTs would contribute to the seasonal prediction of precipitation and temperature over continents. The second ensemble is identical to the first, except that the land surface is also initialized with "realistic" soil moisture contents through the continuous prior application (within GCM simulations leading up to the start of the forecast period) of a daily observational precipitation data set and the associated avoidance of model drift through the scaling of all surface prognostic variables. A comparison of the two ensembles shows that soil moisture initialization has a statistically significant impact on summertime precipitation and temperature over only a handful of continental regions. These regions agree, to first order, with regions that satisfy three conditions: (1) a tendency toward large initial soil moisture anomalies, (2) a strong sensitivity of evaporation to soil moisture, and (3) a strong sensitivity of precipitation to evaporation. The degree to which the initialization improves forecasts relative to observations is mixed, reflecting a critical need for the continued development of model parameterizations and data analysis strategies.

Estimation of water level and steam temperature using ensemble Kalman filter square root (EnKF-SR)

NASA Astrophysics Data System (ADS)

Herlambang, T.; Mufarrikoh, Z.; Karya, D. F.; Rahmalia, D.

2018-04-01

The equipment unit which has the most vital role in the steam-powered electric power plant is boiler. Steam drum boiler is a tank functioning to separate fluida into has phase and liquid phase. The existence in boiler system has a vital role. The controlled variables in the steam drum boiler are water level and the steam temperature. If the water level is higher than the determined level, then the gas phase resulted will contain steam endangering the following process and making the resulted steam going to turbine get less, and the by causing damages to pipes in the boiler. On the contrary, if less than the height of determined water level, the resulted height will result in dry steam likely to endanger steam drum. Thus an error was observed between the determined. This paper studied the implementation of the Ensemble Kalman Filter Square Root (EnKF-SR) method in nonlinear model of the steam drum boiler equation. The computation to estimate the height of water level and the temperature of steam was by simulation using Matlab software. Thus an error was observed between the determined water level and the steam temperature, and that of estimated water level and steam temperature. The result of simulation by Ensemble Kalman Filter Square Root (EnKF-SR) on the nonlinear model of steam drum boiler showed that the error was less than 2%. The implementation of EnKF-SR on the steam drum boiler r model comprises of three simulations, each of which generates 200, 300 and 400 ensembles. The best simulation exhibited the error between the real condition and the estimated result, by generating 400 ensemble. The simulation in water level in order of 0.00002145 m, whereas in the steam temperature was some 0.00002121 kelvin.

Calculating phase equilibrium properties of plasma pseudopotential model using hybrid Gibbs statistical ensemble Monte-Carlo technique

NASA Astrophysics Data System (ADS)

Butlitsky, M. A.; Zelener, B. B.; Zelener, B. V.

2015-11-01

Earlier a two-component pseudopotential plasma model, which we called a “shelf Coulomb” model has been developed. A Monte-Carlo study of canonical NVT ensemble with periodic boundary conditions has been undertaken to calculate equations of state, pair distribution functions, internal energies and other thermodynamics properties of the model. In present work, an attempt is made to apply so-called hybrid Gibbs statistical ensemble Monte-Carlo technique to this model. First simulation results data show qualitatively similar results for critical point region for both methods. Gibbs ensemble technique let us to estimate the melting curve position and a triple point of the model (in reduced temperature and specific volume coordinates): T* ≈ 0.0476, v* ≈ 6 × 10-4.

Insights into the paleoclimate of the PETM from an ensemble of EMIC simulations

NASA Astrophysics Data System (ADS)

Keery, John; Holden, Philip; Edwards, Neil; Monteiro, Fanny; Ridgwell, Andy

2016-04-01

The Eocene epoch, and in particular, the Paleocene-Eocene Thermal Maximum (PETM) of 55.8 Ma, exhibit several features of particular interest for probing our understanding of the Earth system and carbon cycle. CO2 levels have not yet been definitively established, but were known to have varied considerably, peaking at up to several times modern values. Temperatures were several degrees higher than in the modern era, and there were periods of relatively rapid warming, with substantial variability in carbon cycle processes. The Eocene is therefore highly relevant for our understanding of the climate of the 21st Century. Earth system models of intermediate complexity (EMICs), with less detailed simulation of the dynamics of the atmosphere and oceans than general circulation models (GCMs), are sufficiently fast to allow climate modelling over long periods of geological time in comparatively short periods of computer run-time. This speed advantage of EMICs over GCMs permits an "ensemble" of model simulations to be run, allowing statistical analysis of results to be carried out, and allowing the uncertainties in model predictions to be estimated. Here we apply the EMICs PLASIM-GENIE, and GENIE-1, with an Eocene paleogeography which incorporates the major continental configurations and ocean connections, including a shallow strait linking the Arctic to the Tethys, but with neither the Tasman Gateway nor the Drake Passage yet open. Our two model strategy benefits from the detailed simulation of ocean biogeochemistry in GENIE-1, and the 3D spectral atmospheric dynamics in PLASIM-GENIE, which also provides boundary conditions for the GENIE-1 simulations. Using a 50-member ensemble of 1000-year quasi-equilibrium simulations with PLASIM-GENIE, we investigate the relative contributions of orbital and CO2 variability on climate and equator-pole temperature gradients. Results from PLASIM-GENIE are used to configure a harmonised ensemble of GENIE-1 simulations, which will be compared with newly obtained geochemical data on ocean oxygenation through the Eocene from the UK NERC RESPIRE project.

A Projection of Changes in Landfilling Atmospheric River Frequency and Extreme Precipitation over Western North America from the Large Ensemble CESM Simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hagos, Samson M.; Leung, Lai-Yung R.; Yoon, Jin-Ho

Simulations from the Community Earth System Model Large Ensemble project are analyzed to investigate the impact of global warming on atmospheric rivers (ARs). The model has notable biases in simulating the subtropical jet position and the relationship between extreme precipitation and moisture transport. After accounting for these biases, the model projects an ensemble mean increase of 35% in the number of landfalling AR days between the last twenty years of the 20th and 21st centuries. However, the number of AR associated extreme precipitation days increases only by 28% because the moisture transport required to produce extreme precipitation also increases withmore » warming. Internal variability introduces an uncertainty of ±8% and ±7% in the projected changes in AR days and associated extreme precipitation days. In contrast, accountings for model biases only change the projected changes by about 1%. The significantly larger mean changes compared to internal variability and to the effects of model biases highlight the robustness of AR responses to global warming.« less

Future Climate Change in the Baltic Sea Area

NASA Astrophysics Data System (ADS)

Bøssing Christensen, Ole; Kjellström, Erik; Zorita, Eduardo; Sonnenborg, Torben; Meier, Markus; Grinsted, Aslak

2015-04-01

Regional climate models have been used extensively since the first assessment of climate change in the Baltic Sea region published in 2008, not the least for studies of Europe (and including the Baltic Sea catchment area). Therefore, conclusions regarding climate model results have a better foundation than was the case for the first BACC report of 2008. This presentation will report model results regarding future climate. What is the state of understanding about future human-driven climate change? We will cover regional models, statistical downscaling, hydrological modelling, ocean modelling and sea-level change as it is projected for the Baltic Sea region. Collections of regional model simulations from the ENSEMBLES project for example, financed through the European 5th Framework Programme and the World Climate Research Programme Coordinated Regional Climate Downscaling Experiment, have made it possible to obtain an increasingly robust estimation of model uncertainty. While the first Baltic Sea assessment mainly used four simulations from the European 5th Framework Programme PRUDENCE project, an ensemble of 13 transient regional simulations with twice the horizontal resolution reaching the end of the 21st century has been available from the ENSEMBLES project; therefore it has been possible to obtain more quantitative assessments of model uncertainty. The literature about future climate change in the Baltic Sea region is largely built upon the ENSEMBLES project. Also within statistical downscaling, a considerable number of papers have been published, encompassing now the application of non-linear statistical models, projected changes in extremes and correction of climate model biases. The uncertainty of hydrological change has received increasing attention since the previous Baltic Sea assessment. Several studies on the propagation of uncertainties originating in GCMs, RCMs, and emission scenarios are presented. The number of studies on uncertainties related to downscaling and impact models is relatively small, but more are emerging. A large number of coupled climate-environmental scenario simulations for the Baltic Sea have been performed within the BONUS+ projects (ECOSUPPORT, INFLOW, AMBER and Baltic-C (2009-2011)), using various combinations of output from GCMs, RCMs, hydrological models and scenarios for load and emission of nutrients as forcing for Baltic Sea models. Such a large ensemble of scenario simulations for the Baltic Sea has never before been produced and enables for the first time an estimation of uncertainties.

Assessment of Surface Air Temperature over China Using Multi-criterion Model Ensemble Framework

NASA Astrophysics Data System (ADS)

Li, J.; Zhu, Q.; Su, L.; He, X.; Zhang, X.

2017-12-01

The General Circulation Models (GCMs) are designed to simulate the present climate and project future trends. It has been noticed that the performances of GCMs are not always in agreement with each other over different regions. Model ensemble techniques have been developed to post-process the GCMs' outputs and improve their prediction reliabilities. To evaluate the performances of GCMs, root-mean-square error, correlation coefficient, and uncertainty are commonly used statistical measures. However, the simultaneous achievements of these satisfactory statistics cannot be guaranteed when using many model ensemble techniques. Meanwhile, uncertainties and future scenarios are critical for Water-Energy management and operation. In this study, a new multi-model ensemble framework was proposed. It uses a state-of-art evolutionary multi-objective optimization algorithm, termed Multi-Objective Complex Evolution Global Optimization with Principle Component Analysis and Crowding Distance (MOSPD), to derive optimal GCM ensembles and demonstrate the trade-offs among various solutions. Such trade-off information was further analyzed with a robust Pareto front with respect to different statistical measures. A case study was conducted to optimize the surface air temperature (SAT) ensemble solutions over seven geographical regions of China for the historical period (1900-2005) and future projection (2006-2100). The results showed that the ensemble solutions derived with MOSPD algorithm are superior over the simple model average and any single model output during the historical simulation period. For the future prediction, the proposed ensemble framework identified that the largest SAT change would occur in the South Central China under RCP 2.6 scenario, North Eastern China under RCP 4.5 scenario, and North Western China under RCP 8.5 scenario, while the smallest SAT change would occur in the Inner Mongolia under RCP 2.6 scenario, South Central China under RCP 4.5 scenario, and South Central China under RCP 8.5 scenario.

Unbiased Rare Event Sampling in Spatial Stochastic Systems Biology Models Using a Weighted Ensemble of Trajectories

PubMed Central

Donovan, Rory M.; Tapia, Jose-Juan; Sullivan, Devin P.; Faeder, James R.; Murphy, Robert F.; Dittrich, Markus; Zuckerman, Daniel M.

2016-01-01

The long-term goal of connecting scales in biological simulation can be facilitated by scale-agnostic methods. We demonstrate that the weighted ensemble (WE) strategy, initially developed for molecular simulations, applies effectively to spatially resolved cell-scale simulations. The WE approach runs an ensemble of parallel trajectories with assigned weights and uses a statistical resampling strategy of replicating and pruning trajectories to focus computational effort on difficult-to-sample regions. The method can also generate unbiased estimates of non-equilibrium and equilibrium observables, sometimes with significantly less aggregate computing time than would be possible using standard parallelization. Here, we use WE to orchestrate particle-based kinetic Monte Carlo simulations, which include spatial geometry (e.g., of organelles, plasma membrane) and biochemical interactions among mobile molecular species. We study a series of models exhibiting spatial, temporal and biochemical complexity and show that although WE has important limitations, it can achieve performance significantly exceeding standard parallel simulation—by orders of magnitude for some observables. PMID:26845334

Does internal variability change in response to global warming? A large ensemble modelling study of tropical rainfall

NASA Astrophysics Data System (ADS)

Milinski, S.; Bader, J.; Jungclaus, J. H.; Marotzke, J.

2017-12-01

There is some consensus on mean state changes of rainfall under global warming; changes of the internal variability, on the other hand, are more difficult to analyse and have not been discussed as much despite their importance for understanding changes in extreme events, such as droughts or floodings. We analyse changes in the rainfall variability in the tropical Atlantic region. We use a 100-member ensemble of historical (1850-2005) model simulations with the Max Planck Institute for Meteorology Earth System Model (MPI-ESM1) to identify changes of internal rainfall variability. To investigate the effects of global warming on the internal variability, we employ an additional ensemble of model simulations with stronger external forcing (1% CO2-increase per year, same integration length as the historical simulations) with 68 ensemble members. The focus of our study is on the oceanic Atlantic ITCZ. We find that the internal variability of rainfall over the tropical Atlantic does change due to global warming and that these changes in variability are larger than changes in the mean state in some regions. From splitting the total variance into patterns of variability, we see that the variability on the southern flank of the ITCZ becomes more dominant, i.e. explaining a larger fraction of the total variance in a warmer climate. In agreement with previous studies, we find that changes in the mean state show an increase and narrowing of the ITCZ. The large ensembles allow us to do a statistically robust differentiation between the changes in variability that can be explained by internal variability and those that can be attributed to the external forcing. Furthermore, we argue that internal variability in a transient climate is only well defined in the ensemble domain and not in the temporal domain, which requires the use of a large ensemble.

Understanding Southern Ocean SST Trends in Historical Simulations and Observations

NASA Astrophysics Data System (ADS)

Kostov, Yavor; Ferreira, David; Marshall, John; Armour, Kyle

2017-04-01

Historical simulations with CMIP5 global climate models do not reproduce the observed 1979-2014 Southern Ocean (SO) cooling, and most ensemble members predict gradual warming around Antarctica. In order to understand this discrepancy and the mechanisms behind the SO cooling, we analyze output from 19 CMIP5 models. For each ensemble member we estimate the characteristic responses of SO SST to step changes in greenhouse gas (GHG) forcing and in the seasonal indices of the Southern Annular Mode (SAM). Using these step-response functions and linear convolution theory, we reconstruct the original CMIP5 simulations of 1979-2014 SO SST trends. We recover the CMIP5 ensemble mean trend, capture the intermodel spread, and reproduce very well the behavior of individual models. We thus suggest that GHG forcing and the SAM are major drivers of the simulated 1979-2014 SO SST trends. In consistence with the seasonal signature of the Antarctic ozone hole, our results imply that the summer (DJF) and fall (MAM) SAM exert a particularly important effect on the SO SST. In some CMIP5 models the SO SST response to SAM partially counteracts the warming due to GHG forcing, while in other ensemble members the SAM-induced SO SST trends complement the warming effect of GHG forcing. The compensation between GHG and SAM-induced SO SST anomalies is model-dependent and is determined by multiple factors. Firstly, CMIP5 models have different characteristic SST step response functions to SAM. Kostov et al. (2016) relate these differences to biases in the models' climatological SO temperature gradients. Secondly, many CMIP5 historical simulations underestimate the observed positive trends in the DJF and MAM seasonal SAM indices. We show that this affects the models' ability to reproduce the observed SO cooling. Last but not least, CMIP5 models differ in their SO SST step response functions to GHG forcing. Understanding the diverse behavior of CMIP5 models helps shed light on the physical processes that drive SST trends in the real SO.

An ensemble constrained variational analysis of atmospheric forcing data and its application to evaluate clouds in CAM5: Ensemble 3DCVA and Its Application

DOE PAGES

Tang, Shuaiqi; Zhang, Minghua; Xie, Shaocheng

2016-01-05

Large-scale atmospheric forcing data can greatly impact the simulations of atmospheric process models including Large Eddy Simulations (LES), Cloud Resolving Models (CRMs) and Single-Column Models (SCMs), and impact the development of physical parameterizations in global climate models. This study describes the development of an ensemble variationally constrained objective analysis of atmospheric large-scale forcing data and its application to evaluate the cloud biases in the Community Atmospheric Model (CAM5). Sensitivities of the variational objective analysis to background data, error covariance matrix and constraint variables are described and used to quantify the uncertainties in the large-scale forcing data. Application of the ensemblemore » forcing in the CAM5 SCM during March 2000 intensive operational period (IOP) at the Southern Great Plains (SGP) of the Atmospheric Radiation Measurement (ARM) program shows systematic biases in the model simulations that cannot be explained by the uncertainty of large-scale forcing data, which points to the deficiencies of physical parameterizations. The SCM is shown to overestimate high clouds and underestimate low clouds. These biases are found to also exist in the global simulation of CAM5 when it is compared with satellite data.« less

An ensemble constrained variational analysis of atmospheric forcing data and its application to evaluate clouds in CAM5: Ensemble 3DCVA and Its Application

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tang, Shuaiqi; Zhang, Minghua; Xie, Shaocheng

Large-scale atmospheric forcing data can greatly impact the simulations of atmospheric process models including Large Eddy Simulations (LES), Cloud Resolving Models (CRMs) and Single-Column Models (SCMs), and impact the development of physical parameterizations in global climate models. This study describes the development of an ensemble variationally constrained objective analysis of atmospheric large-scale forcing data and its application to evaluate the cloud biases in the Community Atmospheric Model (CAM5). Sensitivities of the variational objective analysis to background data, error covariance matrix and constraint variables are described and used to quantify the uncertainties in the large-scale forcing data. Application of the ensemblemore » forcing in the CAM5 SCM during March 2000 intensive operational period (IOP) at the Southern Great Plains (SGP) of the Atmospheric Radiation Measurement (ARM) program shows systematic biases in the model simulations that cannot be explained by the uncertainty of large-scale forcing data, which points to the deficiencies of physical parameterizations. The SCM is shown to overestimate high clouds and underestimate low clouds. These biases are found to also exist in the global simulation of CAM5 when it is compared with satellite data.« less

Consistency and Main Differences Between European Regional Climate Downscaling Intercomparison Results; From PRUDENCE and ENSEMBLES to CORDEX

NASA Astrophysics Data System (ADS)

Christensen, J. H.; Larsen, M. A. D.; Christensen, O. B.; Drews, M.

2017-12-01

For more than 20 years, coordinated efforts to apply regional climate models to downscale GCM simulations for Europe have been pursued by an ever increasing group of scientists. This endeavor showed its first results during EU framework supported projects such as RACCS and MERCURE. Here, the foundation for today's advanced worldwide CORDEX approach was laid out by a core of six research teams, who conducted some of the first coordinated RCM simulations with the aim to assess regional climate change for Europe. However, it was realized at this stage that model bias in GCMs as well as RCMs made this task very challenging. As an immediate outcome, the idea was conceived to make an even more coordinated effort by constructing a well-defined and structured set of common simulations; this lead to the PRUDENCE project (2001-2004). Additional coordinated efforts involving ever increasing numbers of GCMs and RCMs followed in ENSEMBLES (2004-2009) and the ongoing Euro-CORDEX (officially commenced 2011) efforts. Along with the overall coordination, simulations have increased their standard resolution from 50km (PRUDENCE) to about 12km (Euro-CORDEX) and from time slice simulations (PRUDENCE) to transient experiments (ENSEMBLES and CORDEX); from one driving model and emission scenario (PRUDENCE) to several (Euro-CORDEX). So far, this wealth of simulations have been used to assess the potential impacts of future climate change in Europe providing a baseline change as defined by a multi-model mean change with associated uncertainties calculated from model spread in the ensemble. But how has the overall picture of state-of-the-art regional climate change projections changed over this period of almost two decades? Here we compare across scenarios, model resolutions and model vintage the results from PRUDENCE, ENSEMBLES and Euro-CORDEX. By appropriate scaling we identify robust findings about the projected future of European climate expressed by temperature and precipitation changes that confirm the basic findings of PRUDENCE. For parameters such as snow cover and soil moisture availability we also identify major new results, which illustrate that model improvements and higher resolution offer new, physically grounded, robust information that could not have been identified twenty years ago with the approach taken at that time

Modeling uncertainty and correlation in soil properties using Restricted Pairing and implications for ensemble-based hillslope-scale soil moisture and temperature estimation

NASA Astrophysics Data System (ADS)

Flores, A. N.; Entekhabi, D.; Bras, R. L.

2007-12-01

Soil hydraulic and thermal properties (SHTPs) affect both the rate of moisture redistribution in the soil column and the volumetric soil water capacity. Adequately constraining these properties through field and lab analysis to parameterize spatially-distributed hydrology models is often prohibitively expensive. Because SHTPs vary significantly at small spatial scales individual soil samples are also only reliably indicative of local conditions, and these properties remain a significant source of uncertainty in soil moisture and temperature estimation. In ensemble-based soil moisture data assimilation, uncertainty in the model-produced prior estimate due to associated uncertainty in SHTPs must be taken into account to avoid under-dispersive ensembles. To treat SHTP uncertainty for purposes of supplying inputs to a distributed watershed model we use the restricted pairing (RP) algorithm, an extension of Latin Hypercube (LH) sampling. The RP algorithm generates an arbitrary number of SHTP combinations by sampling the appropriate marginal distributions of the individual soil properties using the LH approach, while imposing a target rank correlation among the properties. A previously-published meta- database of 1309 soils representing 12 textural classes is used to fit appropriate marginal distributions to the properties and compute the target rank correlation structure, conditioned on soil texture. Given categorical soil textures, our implementation of the RP algorithm generates an arbitrarily-sized ensemble of realizations of the SHTPs required as input to the TIN-based Realtime Integrated Basin Simulator with vegetation dynamics (tRIBS+VEGGIE) distributed parameter ecohydrology model. Soil moisture ensembles simulated with RP- generated SHTPs exhibit less variance than ensembles simulated with SHTPs generated by a scheme that neglects correlation among properties. Neglecting correlation among SHTPs can lead to physically unrealistic combinations of parameters that exhibit implausible hydrologic behavior when input to the tRIBS+VEGGIE model.

Scenario and modelling uncertainty in global mean temperature change derived from emission-driven global climate models

NASA Astrophysics Data System (ADS)

Booth, B. B. B.; Bernie, D.; McNeall, D.; Hawkins, E.; Caesar, J.; Boulton, C.; Friedlingstein, P.; Sexton, D. M. H.

2013-04-01

We compare future changes in global mean temperature in response to different future scenarios which, for the first time, arise from emission-driven rather than concentration-driven perturbed parameter ensemble of a global climate model (GCM). These new GCM simulations sample uncertainties in atmospheric feedbacks, land carbon cycle, ocean physics and aerosol sulphur cycle processes. We find broader ranges of projected temperature responses arising when considering emission rather than concentration-driven simulations (with 10-90th percentile ranges of 1.7 K for the aggressive mitigation scenario, up to 3.9 K for the high-end, business as usual scenario). A small minority of simulations resulting from combinations of strong atmospheric feedbacks and carbon cycle responses show temperature increases in excess of 9 K (RCP8.5) and even under aggressive mitigation (RCP2.6) temperatures in excess of 4 K. While the simulations point to much larger temperature ranges for emission-driven experiments, they do not change existing expectations (based on previous concentration-driven experiments) on the timescales over which different sources of uncertainty are important. The new simulations sample a range of future atmospheric concentrations for each emission scenario. Both in the case of SRES A1B and the Representative Concentration Pathways (RCPs), the concentration scenarios used to drive GCM ensembles, lies towards the lower end of our simulated distribution. This design decision (a legacy of previous assessments) is likely to lead concentration-driven experiments to under-sample strong feedback responses in future projections. Our ensemble of emission-driven simulations span the global temperature response of the CMIP5 emission-driven simulations, except at the low end. Combinations of low climate sensitivity and low carbon cycle feedbacks lead to a number of CMIP5 responses to lie below our ensemble range. The ensemble simulates a number of high-end responses which lie above the CMIP5 carbon cycle range. These high-end simulations can be linked to sampling a number of stronger carbon cycle feedbacks and to sampling climate sensitivities above 4.5 K. This latter aspect highlights the priority in identifying real-world climate-sensitivity constraints which, if achieved, would lead to reductions on the upper bound of projected global mean temperature change. The ensembles of simulations presented here provides a framework to explore relationships between present-day observables and future changes, while the large spread of future-projected changes highlights the ongoing need for such work.

An ensemble-ANFIS based uncertainty assessment model for forecasting multi-scalar standardized precipitation index

NASA Astrophysics Data System (ADS)

Ali, Mumtaz; Deo, Ravinesh C.; Downs, Nathan J.; Maraseni, Tek

2018-07-01

Forecasting drought by means of the World Meteorological Organization-approved Standardized Precipitation Index (SPI) is considered to be a fundamental task to support socio-economic initiatives and effectively mitigating the climate-risk. This study aims to develop a robust drought modelling strategy to forecast multi-scalar SPI in drought-rich regions of Pakistan where statistically significant lagged combinations of antecedent SPI are used to forecast future SPI. With ensemble-Adaptive Neuro Fuzzy Inference System ('ensemble-ANFIS') executed via a 10-fold cross-validation procedure, a model is constructed by randomly partitioned input-target data. Resulting in 10-member ensemble-ANFIS outputs, judged by mean square error and correlation coefficient in the training period, the optimal forecasts are attained by the averaged simulations, and the model is benchmarked with M5 Model Tree and Minimax Probability Machine Regression (MPMR). The results show the proposed ensemble-ANFIS model's preciseness was notably better (in terms of the root mean square and mean absolute error including the Willmott's, Nash-Sutcliffe and Legates McCabe's index) for the 6- and 12- month compared to the 3-month forecasts as verified by the largest error proportions that registered in smallest error band. Applying 10-member simulations, ensemble-ANFIS model was validated for its ability to forecast severity (S), duration (D) and intensity (I) of drought (including the error bound). This enabled uncertainty between multi-models to be rationalized more efficiently, leading to a reduction in forecast error caused by stochasticity in drought behaviours. Through cross-validations at diverse sites, a geographic signature in modelled uncertainties was also calculated. Considering the superiority of ensemble-ANFIS approach and its ability to generate uncertainty-based information, the study advocates the versatility of a multi-model approach for drought-risk forecasting and its prime importance for estimating drought properties over confidence intervals to generate better information for strategic decision-making.

Regional projections of North Indian climate for adaptation studies.

PubMed

Mathison, Camilla; Wiltshire, Andrew; Dimri, A P; Falloon, Pete; Jacob, Daniela; Kumar, Pankaj; Moors, Eddy; Ridley, Jeff; Siderius, Christian; Stoffel, Markus; Yasunari, T

2013-12-01

Adaptation is increasingly important for regions around the world where large changes in climate could have an impact on populations and industry. The Brahmaputra-Ganges catchments have a large population, a main industry of agriculture and a growing hydro-power industry, making the region susceptible to changes in the Indian Summer Monsoon, annually the main water source. The HighNoon project has completed four regional climate model simulations for India and the Himalaya at high resolution (25km) from 1960 to 2100 to provide an ensemble of simulations for the region. In this paper we have assessed the ensemble for these catchments, comparing the simulations with observations, to give credence that the simulations provide a realistic representation of atmospheric processes and therefore future climate. We have illustrated how these simulations could be used to provide information on potential future climate impacts and therefore aid decision-making using climatology and threshold analysis. The ensemble analysis shows an increase in temperature between the baseline (1970-2000) and the 2050s (2040-2070) of between 2 and 4°C and an increase in the number of days with maximum temperatures above 28°C and 35°C. There is less certainty for precipitation and runoff which show considerable variability, even in this relatively small ensemble, spanning zero. The HighNoon ensemble is the most complete data for the region providing useful information on a wide range of variables for the regional climate of the Brahmaputra-Ganges region, however there are processes not yet included in the models that could have an impact on the simulations of future climate. We have discussed these processes and show that the range from the HighNoon ensemble is similar in magnitude to potential changes in projections where these processes are included. Therefore strategies for adaptation must be robust and flexible allowing for advances in the science and natural environmental changes. Copyright © 2012 Elsevier B.V. All rights reserved.

Assessing and mitigating uncertainties in the Noah-MP land-model simulations over the Tibet Plateau region

NASA Astrophysics Data System (ADS)

Zhang, G.; Chen, F.; Gan, Y.

2017-12-01

Assessing and mitigating uncertainties in the Noah-MP land-model simulations over the Tibet Plateau region Guo Zhang1, Fei Chen1,2, Yanjun Gan11State Key Laboratory of Severe Weather, Chinese Academy of Meteorological Sciences, Beijing, China 2National Center for Atmospheric Research, Boulder, Colorado, USA Uncertainties in the Noah with multiparameterization (Noah-MP) land surface model were assessed through physics ensemble simulations for four sparsely-vegetated sites located in the Tibetan Plateau region. Those simulations were evaluated using observations at the four sites during the third Tibetan Plateau Experiment (TIPEX III).The impacts of uncertainties in precipitation data used as forcing conditions, parameterizations of sub-processes such as soil organic matter and rhizosphere on physics-ensemble simulations are identified using two different methods: the natural selection and Tukey's test. This study attempts to answer the following questions: 1) what is the relative contribution of precipitation-forcing uncertainty to the overall uncertainty range of Noah-MP simulations at those sites as compared to that at a more moisture and densely vegetated site; 2) what are the most sensitive physical parameterization for those sites; 3) can we identify the parameterizations that need to be improved? The investigation was conducted by evaluating simulated seasonal evolution of soil temperature, soilmoisture, surface heat fluxes through a number of Noah-MP ensemble simulations.

Simulating adsorptive expansion of zeolites: application to biomass-derived solutions in contact with silicalite.

PubMed

Santander, Julian E; Tsapatsis, Michael; Auerbach, Scott M

2013-04-16

We have constructed and applied an algorithm to simulate the behavior of zeolite frameworks during liquid adsorption. We applied this approach to compute the adsorption isotherms of furfural-water and hydroxymethyl furfural (HMF)-water mixtures adsorbing in silicalite zeolite at 300 K for comparison with experimental data. We modeled these adsorption processes under two different statistical mechanical ensembles: the grand canonical (V-Nz-μg-T or GC) ensemble keeping volume fixed, and the P-Nz-μg-T (osmotic) ensemble allowing volume to fluctuate. To optimize accuracy and efficiency, we compared pure Monte Carlo (MC) sampling to hybrid MC-molecular dynamics (MD) simulations. For the external furfural-water and HMF-water phases, we assumed the ideal solution approximation and employed a combination of tabulated data and extended ensemble simulations for computing solvation free energies. We found that MC sampling in the V-Nz-μg-T ensemble (i.e., standard GCMC) does a poor job of reproducing both the Henry's law regime and the saturation loadings of these systems. Hybrid MC-MD sampling of the V-Nz-μg-T ensemble, which includes framework vibrations at fixed total volume, provides better results in the Henry's law region, but this approach still does not reproduce experimental saturation loadings. Pure MC sampling of the osmotic ensemble was found to approach experimental saturation loadings more closely, whereas hybrid MC-MD sampling of the osmotic ensemble quantitatively reproduces such loadings because the MC-MD approach naturally allows for locally anisotropic volume changes wherein some pores expand whereas others contract.

Multi-ensemble regional simulation of Indian monsoon during contrasting rainfall years: role of convective schemes and nested domain

NASA Astrophysics Data System (ADS)

Devanand, Anjana; Ghosh, Subimal; Paul, Supantha; Karmakar, Subhankar; Niyogi, Dev

2018-06-01

Regional simulations of the seasonal Indian summer monsoon rainfall (ISMR) require an understanding of the model sensitivities to physics and resolution, and its effect on the model uncertainties. It is also important to quantify the added value in the simulated sub-regional precipitation characteristics by a regional climate model (RCM), when compared to coarse resolution rainfall products. This study presents regional model simulations of ISMR at seasonal scale using the Weather Research and Forecasting (WRF) model with the synoptic scale forcing from ERA-interim reanalysis, for three contrasting monsoon seasons, 1994 (excess), 2002 (deficit) and 2010 (normal). Impact of four cumulus schemes, viz., Kain-Fritsch (KF), Betts-Janjić-Miller, Grell 3D and modified Kain-Fritsch (KFm), and two micro physical parameterization schemes, viz., WRF Single Moment Class 5 scheme and Lin et al. scheme (LIN), with eight different possible combinations are analyzed. The impact of spectral nudging on model sensitivity is also studied. In WRF simulations using spectral nudging, improvement in model rainfall appears to be consistent in regions with topographic variability such as Central Northeast and Konkan Western Ghat sub-regions. However the results are also dependent on choice of cumulus scheme used, with KF and KFm providing relatively good performance and the eight member ensemble mean showing better results for these sub-regions. There is no consistent improvement noted in Northeast and Peninsular Indian monsoon regions. Results indicate that the regional simulations using nested domains can provide some improvements on ISMR simulations. Spectral nudging is found to improve upon the model simulations in terms of reducing the intra ensemble spread and hence the uncertainty in the model simulated precipitation. The results provide important insights regarding the need for further improvements in the regional climate simulations of ISMR for various sub-regions and contribute to the understanding of the added value in seasonal simulations by RCMs.

Multi-ensemble regional simulation of Indian monsoon during contrasting rainfall years: role of convective schemes and nested domain

NASA Astrophysics Data System (ADS)

Devanand, Anjana; Ghosh, Subimal; Paul, Supantha; Karmakar, Subhankar; Niyogi, Dev

2017-08-01

Regional simulations of the seasonal Indian summer monsoon rainfall (ISMR) require an understanding of the model sensitivities to physics and resolution, and its effect on the model uncertainties. It is also important to quantify the added value in the simulated sub-regional precipitation characteristics by a regional climate model (RCM), when compared to coarse resolution rainfall products. This study presents regional model simulations of ISMR at seasonal scale using the Weather Research and Forecasting (WRF) model with the synoptic scale forcing from ERA-interim reanalysis, for three contrasting monsoon seasons, 1994 (excess), 2002 (deficit) and 2010 (normal). Impact of four cumulus schemes, viz., Kain-Fritsch (KF), Betts-Janjić-Miller, Grell 3D and modified Kain-Fritsch (KFm), and two micro physical parameterization schemes, viz., WRF Single Moment Class 5 scheme and Lin et al. scheme (LIN), with eight different possible combinations are analyzed. The impact of spectral nudging on model sensitivity is also studied. In WRF simulations using spectral nudging, improvement in model rainfall appears to be consistent in regions with topographic variability such as Central Northeast and Konkan Western Ghat sub-regions. However the results are also dependent on choice of cumulus scheme used, with KF and KFm providing relatively good performance and the eight member ensemble mean showing better results for these sub-regions. There is no consistent improvement noted in Northeast and Peninsular Indian monsoon regions. Results indicate that the regional simulations using nested domains can provide some improvements on ISMR simulations. Spectral nudging is found to improve upon the model simulations in terms of reducing the intra ensemble spread and hence the uncertainty in the model simulated precipitation. The results provide important insights regarding the need for further improvements in the regional climate simulations of ISMR for various sub-regions and contribute to the understanding of the added value in seasonal simulations by RCMs.

Refining Markov state models for conformational dynamics using ensemble-averaged data and time-series trajectories

NASA Astrophysics Data System (ADS)

Matsunaga, Y.; Sugita, Y.

2018-06-01

A data-driven modeling scheme is proposed for conformational dynamics of biomolecules based on molecular dynamics (MD) simulations and experimental measurements. In this scheme, an initial Markov State Model (MSM) is constructed from MD simulation trajectories, and then, the MSM parameters are refined using experimental measurements through machine learning techniques. The second step can reduce the bias of MD simulation results due to inaccurate force-field parameters. Either time-series trajectories or ensemble-averaged data are available as a training data set in the scheme. Using a coarse-grained model of a dye-labeled polyproline-20, we compare the performance of machine learning estimations from the two types of training data sets. Machine learning from time-series data could provide the equilibrium populations of conformational states as well as their transition probabilities. It estimates hidden conformational states in more robust ways compared to that from ensemble-averaged data although there are limitations in estimating the transition probabilities between minor states. We discuss how to use the machine learning scheme for various experimental measurements including single-molecule time-series trajectories.

Selecting a climate model subset to optimise key ensemble properties

NASA Astrophysics Data System (ADS)

Herger, Nadja; Abramowitz, Gab; Knutti, Reto; Angélil, Oliver; Lehmann, Karsten; Sanderson, Benjamin M.

2018-02-01

End users studying impacts and risks caused by human-induced climate change are often presented with large multi-model ensembles of climate projections whose composition and size are arbitrarily determined. An efficient and versatile method that finds a subset which maintains certain key properties from the full ensemble is needed, but very little work has been done in this area. Therefore, users typically make their own somewhat subjective subset choices and commonly use the equally weighted model mean as a best estimate. However, different climate model simulations cannot necessarily be regarded as independent estimates due to the presence of duplicated code and shared development history. Here, we present an efficient and flexible tool that makes better use of the ensemble as a whole by finding a subset with improved mean performance compared to the multi-model mean while at the same time maintaining the spread and addressing the problem of model interdependence. Out-of-sample skill and reliability are demonstrated using model-as-truth experiments. This approach is illustrated with one set of optimisation criteria but we also highlight the flexibility of cost functions, depending on the focus of different users. The technique is useful for a range of applications that, for example, minimise present-day bias to obtain an accurate ensemble mean, reduce dependence in ensemble spread, maximise future spread, ensure good performance of individual models in an ensemble, reduce the ensemble size while maintaining important ensemble characteristics, or optimise several of these at the same time. As in any calibration exercise, the final ensemble is sensitive to the metric, observational product, and pre-processing steps used.

Climate change and watershed mercury export: a multiple projection and model analysis

USGS Publications Warehouse

Golden, Heather E.; Knightes, Christopher D.; Conrads, Paul; Feaster, Toby D.; Davis, Gary M.; Benedict, Stephen T.; Bradley, Paul M.

2013-01-01

Future shifts in climatic conditions may impact watershed mercury (Hg) dynamics and transport. An ensemble of watershed models was applied in the present study to simulate and evaluate the responses of hydrological and total Hg (THg) fluxes from the landscape to the watershed outlet and in-stream THg concentrations to contrasting climate change projections for a watershed in the southeastern coastal plain of the United States. Simulations were conducted under stationary atmospheric deposition and land cover conditions to explicitly evaluate the effect of projected precipitation and temperature on watershed Hg export (i.e., the flux of Hg at the watershed outlet). Based on downscaled inputs from 2 global circulation models that capture extremes of projected wet (Community Climate System Model, Ver 3 [CCSM3]) and dry (ECHAM4/HOPE-G [ECHO]) conditions for this region, watershed model simulation results suggest a decrease of approximately 19% in ensemble-averaged mean annual watershed THg fluxes using the ECHO climate-change model and an increase of approximately 5% in THg fluxes with the CCSM3 model. Ensemble-averaged mean annual ECHO in-stream THg concentrations increased 20%, while those of CCSM3 decreased by 9% between the baseline and projected simulation periods. Watershed model simulation results using both climate change models suggest that monthly watershed THg fluxes increase during the summer, when projected flow is higher than baseline conditions. The present study's multiple watershed model approach underscores the uncertainty associated with climate change response projections and their use in climate change management decisions. Thus, single-model predictions can be misleading, particularly in developmental stages of watershed Hg modeling.

An 'Observational Large Ensemble' to compare observed and modeled temperature trend uncertainty due to internal variability.

NASA Astrophysics Data System (ADS)

Poppick, A. N.; McKinnon, K. A.; Dunn-Sigouin, E.; Deser, C.

2017-12-01

Initial condition climate model ensembles suggest that regional temperature trends can be highly variable on decadal timescales due to characteristics of internal climate variability. Accounting for trend uncertainty due to internal variability is therefore necessary to contextualize recent observed temperature changes. However, while the variability of trends in a climate model ensemble can be evaluated directly (as the spread across ensemble members), internal variability simulated by a climate model may be inconsistent with observations. Observation-based methods for assessing the role of internal variability on trend uncertainty are therefore required. Here, we use a statistical resampling approach to assess trend uncertainty due to internal variability in historical 50-year (1966-2015) winter near-surface air temperature trends over North America. We compare this estimate of trend uncertainty to simulated trend variability in the NCAR CESM1 Large Ensemble (LENS), finding that uncertainty in wintertime temperature trends over North America due to internal variability is largely overestimated by CESM1, on average by a factor of 32%. Our observation-based resampling approach is combined with the forced signal from LENS to produce an 'Observational Large Ensemble' (OLENS). The members of OLENS indicate a range of spatially coherent fields of temperature trends resulting from different sequences of internal variability consistent with observations. The smaller trend variability in OLENS suggests that uncertainty in the historical climate change signal in observations due to internal variability is less than suggested by LENS.

Can Atmospheric Reanalysis Data Sets Be Used to Reproduce Flooding Over Large Scales?

NASA Astrophysics Data System (ADS)

Andreadis, Konstantinos M.; Schumann, Guy J.-P.; Stampoulis, Dimitrios; Bates, Paul D.; Brakenridge, G. Robert; Kettner, Albert J.

2017-10-01

Floods are costly to global economies and can be exceptionally lethal. The ability to produce consistent flood hazard maps over large areas could provide a significant contribution to reducing such losses, as the lack of knowledge concerning flood risk is a major factor in the transformation of river floods into flood disasters. In order to accurately reproduce flooding in river channels and floodplains, high spatial resolution hydrodynamic models are needed. Despite being computationally expensive, recent advances have made their continental to global implementation feasible, although inputs for long-term simulations may require the use of reanalysis meteorological products especially in data-poor regions. We employ a coupled hydrologic/hydrodynamic model cascade forced by the 20CRv2 reanalysis data set and evaluate its ability to reproduce flood inundation area and volume for Australia during the 1973-2012 period. Ensemble simulations using the reanalysis data were performed to account for uncertainty in the meteorology and compared with a validated benchmark simulation. Results show that the reanalysis ensemble capture the inundated areas and volumes relatively well, with correlations for the ensemble mean of 0.82 and 0.85 for area and volume, respectively, although the meteorological ensemble spread propagates in large uncertainty of the simulated flood characteristics.

Tropical storm interannual and interdecadal variability in an ensemble of GCM integrations

NASA Astrophysics Data System (ADS)

Vitart, Frederic Pol.

1999-11-01

A T42L18 Atmospheric General Circulation Model forced by observed SSTs has been integrated for 10 years with 9 different initial conditions. An objective procedure for tracking model-generated tropical storms has been applied to this ensemble. Statistical tools have been applied to the ensemble frequency, intensity and location of tropical storms, leading to the conclusion that the potential predictability is particularly strong over the western North Pacific, the eastern North Pacific and the western North Atlantic. An EOF analysis of local SSts and a combined EOF analysis of vertical wind shear, 200 mb and 850 mb vorticity indicate that the simulated tropical storm interannual variability is mostly constrained by the large scale circulation as in observations. The model simulates a realistic interannual variability of tropical storms over the western North Atlantic, eastern North Pacific, western North Pacific and Australian basin where the model simulates a realistic large scale circulation. Several experiments with the atmospheric GCM forced by imposed SSTs demonstrate that the GCM simulates a realistic impact of ENSO on the simulated Atlantic tropical storms. In addition the GCM simulates fewer tropical storms over the western North Atlantic with SSTs of the 1950s than with SSTs of the 1970s in agreement with observations. Tropical storms simulated with RAS and with MCA have been compared to evaluate their sensitivity to a change in cumulus parameterization. Composites of tropical storm structure indicate stronger tropical storms with higher warm cores with MCA. An experiment using the GFDL hurricane model and several theoretical calculations indicate that the mean state may be responsible for the difference in intensity and in the height of the warm core. With the RAS scheme, increasing the threshold which determines when convection can occur increases the tropical storm frequency almost linearly. The increase of tropical storm frequency seems to be linked to an increase of CAPE. Tropical storms predicted by a coupled model produce a strong cooling of SSTs and their intensity is lower than in the simulations. An ensemble of coupled GCM integrations displays some skill in forecasting the tropical storm frequency when starting on July 1st.

Upgrades to the REA method for producing probabilistic climate change projections

NASA Astrophysics Data System (ADS)

Xu, Ying; Gao, Xuejie; Giorgi, Filippo

2010-05-01

We present an augmented version of the Reliability Ensemble Averaging (REA) method designed to generate probabilistic climate change information from ensembles of climate model simulations. Compared to the original version, the augmented one includes consideration of multiple variables and statistics in the calculation of the performance-based weights. In addition, the model convergence criterion previously employed is removed. The method is applied to the calculation of changes in mean and variability for temperature and precipitation over different sub-regions of East Asia based on the recently completed CMIP3 multi-model ensemble. Comparison of the new and old REA methods, along with the simple averaging procedure, and the use of different combinations of performance metrics shows that at fine sub-regional scales the choice of weighting is relevant. This is mostly because the models show a substantial spread in performance for the simulation of precipitation statistics, a result that supports the use of model weighting as a useful option to account for wide ranges of quality of models. The REA method, and in particular the upgraded one, provides a simple and flexible framework for assessing the uncertainty related to the aggregation of results from ensembles of models in order to produce climate change information at the regional scale. KEY WORDS: REA method, Climate change, CMIP3

SQUEEZE-E: The Optimal Solution for Molecular Simulations with Periodic Boundary Conditions.

PubMed

Wassenaar, Tsjerk A; de Vries, Sjoerd; Bonvin, Alexandre M J J; Bekker, Henk

2012-10-09

In molecular simulations of macromolecules, it is desirable to limit the amount of solvent in the system to avoid spending computational resources on uninteresting solvent-solvent interactions. As a consequence, periodic boundary conditions are commonly used, with a simulation box chosen as small as possible, for a given minimal distance between images. Here, we describe how such a simulation cell can be set up for ensembles, taking into account a priori available or estimable information regarding conformational flexibility. Doing so ensures that any conformation present in the input ensemble will satisfy the distance criterion during the simulation. This helps avoid periodicity artifacts due to conformational changes. The method introduces three new approaches in computational geometry: (1) The first is the derivation of an optimal packing of ensembles, for which the mathematical framework is described. (2) A new method for approximating the α-hull and the contact body for single bodies and ensembles is presented, which is orders of magnitude faster than existing routines, allowing the calculation of packings of large ensembles and/or large bodies. 3. A routine is described for searching a combination of three vectors on a discretized contact body forming a reduced base for a lattice with minimal cell volume. The new algorithms reduce the time required to calculate packings of single bodies from minutes or hours to seconds. The use and efficacy of the method is demonstrated for ensembles obtained from NMR, MD simulations, and elastic network modeling. An implementation of the method has been made available online at http://haddock.chem.uu.nl/services/SQUEEZE/ and has been made available as an option for running simulations through the weNMR GRID MD server at http://haddock.science.uu.nl/enmr/services/GROMACS/main.php .

Slycat™ User Manual

DOE Office of Scientific and Technical Information (OSTI.GOV)

Crossno, Patricia J.; Gittinger, Jaxon; Hunt, Warren L.

Slycat™ is a web-based system for performing data analysis and visualization of potentially large quantities of remote, high-dimensional data. Slycat™ specializes in working with ensemble data. An ensemble is a group of related data sets, which typically consists of a set of simulation runs exploring the same problem space. An ensemble can be thought of as a set of samples within a multi-variate domain, where each sample is a vector whose value defines a point in high-dimensional space. To understand and describe the underlying problem being modeled in the simulations, ensemble analysis looks for shared behaviors and common features acrossmore » the group of runs. Additionally, ensemble analysis tries to quantify differences found in any members that deviate from the rest of the group. The Slycat™ system integrates data management, scalable analysis, and visualization. Results are viewed remotely on a user’s desktop via commodity web clients using a multi-tiered hierarchy of computation and data storage, as shown in Figure 1. Our goal is to operate on data as close to the source as possible, thereby reducing time and storage costs associated with data movement. Consequently, we are working to develop parallel analysis capabilities that operate on High Performance Computing (HPC) platforms, to explore approaches for reducing data size, and to implement strategies for staging computation across the Slycat™ hierarchy. Within Slycat™, data and visual analysis are organized around projects, which are shared by a project team. Project members are explicitly added, each with a designated set of permissions. Although users sign-in to access Slycat™, individual accounts are not maintained. Instead, authentication is used to determine project access. Within projects, Slycat™ models capture analysis results and enable data exploration through various visual representations. Although for scientists each simulation run is a model of real-world phenomena given certain conditions, we use the term model to refer to our modeling of the ensemble data, not the physics. Different model types often provide complementary perspectives on data features when analyzing the same data set. Each model visualizes data at several levels of abstraction, allowing the user to range from viewing the ensemble holistically to accessing numeric parameter values for a single run. Bookmarks provide a mechanism for sharing results, enabling interesting model states to be labeled and saved.« less

Impacts of Model Bias on the Climate Change Signal and Effects of Weighted Ensembles of Regional Climate Model Simulations: A Case Study over Southern Québec, Canada

DOE PAGES

Eum, Hyung-Il; Gachon, Philippe; Laprise, René

2016-01-01

This study examined the impact of model biases on climate change signals for daily precipitation and for minimum and maximum temperatures. Through the use of multiple climate scenarios from 12 regional climate model simulations, the ensemble mean, and three synthetic simulations generated by a weighting procedure, we investigated intermodel seasonal climate change signals between current and future periods, for both median and extreme precipitation/temperature values. A significant dependence of seasonal climate change signals on the model biases over southern Québec in Canada was detected for temperatures, but not for precipitation. This suggests that the regional temperature change signal is affectedmore » by local processes. Seasonally, model bias affects future mean and extreme values in winter and summer. In addition, potentially large increases in future extremes of temperature and precipitation values were projected. For three synthetic scenarios, systematically less bias and a narrow range of mean change for all variables were projected compared to those of climate model simulations. In addition, synthetic scenarios were found to better capture the spatial variability of extreme cold temperatures than the ensemble mean scenario. Finally, these results indicate that the synthetic scenarios have greater potential to reduce the uncertainty of future climate projections and capture the spatial variability of extreme climate events.« less

Impacts of Model Bias on the Climate Change Signal and Effects of Weighted Ensembles of Regional Climate Model Simulations: A Case Study over Southern Québec, Canada

DOE Office of Scientific and Technical Information (OSTI.GOV)

Eum, Hyung-Il; Gachon, Philippe; Laprise, René

This study examined the impact of model biases on climate change signals for daily precipitation and for minimum and maximum temperatures. Through the use of multiple climate scenarios from 12 regional climate model simulations, the ensemble mean, and three synthetic simulations generated by a weighting procedure, we investigated intermodel seasonal climate change signals between current and future periods, for both median and extreme precipitation/temperature values. A significant dependence of seasonal climate change signals on the model biases over southern Québec in Canada was detected for temperatures, but not for precipitation. This suggests that the regional temperature change signal is affectedmore » by local processes. Seasonally, model bias affects future mean and extreme values in winter and summer. In addition, potentially large increases in future extremes of temperature and precipitation values were projected. For three synthetic scenarios, systematically less bias and a narrow range of mean change for all variables were projected compared to those of climate model simulations. In addition, synthetic scenarios were found to better capture the spatial variability of extreme cold temperatures than the ensemble mean scenario. Finally, these results indicate that the synthetic scenarios have greater potential to reduce the uncertainty of future climate projections and capture the spatial variability of extreme climate events.« less

Combined Monte Carlo/torsion-angle molecular dynamics for ensemble modeling of proteins, nucleic acids and carbohydrates.

PubMed

Zhang, Weihong; Howell, Steven C; Wright, David W; Heindel, Andrew; Qiu, Xiangyun; Chen, Jianhan; Curtis, Joseph E

2017-05-01

We describe a general method to use Monte Carlo simulation followed by torsion-angle molecular dynamics simulations to create ensembles of structures to model a wide variety of soft-matter biological systems. Our particular emphasis is focused on modeling low-resolution small-angle scattering and reflectivity structural data. We provide examples of this method applied to HIV-1 Gag protein and derived fragment proteins, TraI protein, linear B-DNA, a nucleosome core particle, and a glycosylated monoclonal antibody. This procedure will enable a large community of researchers to model low-resolution experimental data with greater accuracy by using robust physics based simulation and sampling methods which are a significant improvement over traditional methods used to interpret such data. Published by Elsevier Inc.

Rising temperatures reduce global wheat production

NASA Astrophysics Data System (ADS)

Asseng, S.; Ewert, F.; Martre, P.; Rötter, R. P.; Lobell, D. B.; Cammarano, D.; Kimball, B. A.; Ottman, M. J.; Wall, G. W.; White, J. W.; Reynolds, M. P.; Alderman, P. D.; Prasad, P. V. V.; Aggarwal, P. K.; Anothai, J.; Basso, B.; Biernath, C.; Challinor, A. J.; de Sanctis, G.; Doltra, J.; Fereres, E.; Garcia-Vila, M.; Gayler, S.; Hoogenboom, G.; Hunt, L. A.; Izaurralde, R. C.; Jabloun, M.; Jones, C. D.; Kersebaum, K. C.; Koehler, A.-K.; Müller, C.; Naresh Kumar, S.; Nendel, C.; O'Leary, G.; Olesen, J. E.; Palosuo, T.; Priesack, E.; Eyshi Rezaei, E.; Ruane, A. C.; Semenov, M. A.; Shcherbak, I.; Stöckle, C.; Stratonovitch, P.; Streck, T.; Supit, I.; Tao, F.; Thorburn, P. J.; Waha, K.; Wang, E.; Wallach, D.; Wolf, J.; Zhao, Z.; Zhu, Y.

2015-02-01

Crop models are essential tools for assessing the threat of climate change to local and global food production. Present models used to predict wheat grain yield are highly uncertain when simulating how crops respond to temperature. Here we systematically tested 30 different wheat crop models of the Agricultural Model Intercomparison and Improvement Project against field experiments in which growing season mean temperatures ranged from 15 °C to 32 °C, including experiments with artificial heating. Many models simulated yields well, but were less accurate at higher temperatures. The model ensemble median was consistently more accurate in simulating the crop temperature response than any single model, regardless of the input information used. Extrapolating the model ensemble temperature response indicates that warming is already slowing yield gains at a majority of wheat-growing locations. Global wheat production is estimated to fall by 6% for each °C of further temperature increase and become more variable over space and time.

Rising Temperatures Reduce Global Wheat Production

NASA Technical Reports Server (NTRS)

Asseng, S.; Ewert, F.; Martre, P.; Rötter, R. P.; Lobell, D. B.; Cammarano, D.; Kimball, B. A.; Ottman, M. J.; Wall, G. W.; White, J. W.;

Ensemble formulation of surface fluxes and improvement in evapotranspiration and cloud parameterizations in a GCM. [General Circulation Model

NASA Technical Reports Server (NTRS)

Sud, Y. C.; Smith, W. E.

1984-01-01

The influence of some modifications to the parameters of the current general circulation model (GCM) is investigated. The aim of the modifications was to eliminate strong occasional bursts of oscillations in planetary boundary layer (PBL) fluxes. Smoothly varying bulk aerodynamic friction and heat transport coefficients were found by ensemble averaging of the PBL fluxes in the current GCM. A comparison was performed of the simulations of the modified model and the unmodified model. The comparison showed that the surface fluxes and cloudiness in the modified model simulations were much more accurate. The planetary albedo in the model was also realistic. Weaknesses persisted in the models positioning of the Inter-tropical convergence zone (ICTZ) and in the temperature estimates for polar regions. A second simulation of the model following reparametrization of the cloud data showed improved results and these are described in detail.

An ensemble approach to simulate CO2 emissions from natural fires

NASA Astrophysics Data System (ADS)

Eliseev, A. V.; Mokhov, I. I.; Chernokulsky, A. V.

2014-01-01

This paper presents ensemble simulations with the global climate model developed at the A. M. Obukhov Institute of Atmospheric Physics, Russian Academy of Sciences (IAP RAS CM). These simulations were forced by historical reconstruction of external forcings for 850-2005 AD and by the Representative Concentration Pathways (RCP) scenarios till year 2300. Different ensemble members were constructed by varying the governing parameters of the IAP RAS CM module to simulate natural fires. These members are constrained by the GFED-3.1 observational data set and further subjected to Bayesian averaging. This approach allows to select only changes in fire characteristics which are robust within the constrained ensemble. In our simulations, the present-day (1998-2011 AD) global area burnt due to natural fires is (2.1 ± 0.4) × 106 km2 yr-1 (ensemble means and intra-ensemble standard deviations are presented), and the respective CO2 emissions in the atmosphere are (1.4 ± 0.2) PgC yr-1. The latter value is in agreement with the corresponding observational estimates. Regionally, the model underestimates CO2 emissions in the tropics; in the extra-tropics, it underestimates these emissions in north-east Eurasia and overestimates them in Europe. In the 21st century, the ensemble mean global burnt area is increased by 13% (28%, 36%, 51%) under scenario RCP 2.6 (RCP 4.5, RCP 6.0, RCP 8.5). The corresponding global emissions increase is 14% (29%, 37%, 42%). In the 22nd-23rd centuries, under the mitigation scenario RCP 2.6 the ensemble mean global burnt area and respective CO2 emissions slightly decrease, both by 5% relative to their values in year 2100. Under other RCP scenarios, these variables continue to increase. Under scenario RCP 8.5 (RCP 6.0, RCP 4.5) the ensemble mean burnt area in year 2300 is higher by 83% (44%, 15%) than its value in year 2100, and the ensemble mean CO2 emissions are correspondingly higher by 31% (19%, 9%). All changes of natural fire characteristics in the 21st-23rd centuries are associated mostly with the corresponding changes in boreal regions of Eurasia and North America. However, under the RCP 8.5 scenario, increase of the burnt area and CO2 emissions in boreal regions during the 22nd-23rd centuries are accompanied by the respective decreases in the tropics and subtropics.

Rainfall estimation with TFR model using Ensemble Kalman filter

NASA Astrophysics Data System (ADS)

Asyiqotur Rohmah, Nabila; Apriliani, Erna

2018-03-01

Rainfall fluctuation can affect condition of other environment, correlated with economic activity and public health. The increasing of global average temperature is influenced by the increasing of CO2 in the atmosphere, which caused climate change. Meanwhile, the forests as carbon sinks that help keep the carbon cycle and climate change mitigation. Climate change caused by rainfall intensity deviations can affect the economy of a region, and even countries. It encourages research on rainfall associated with an area of forest. In this study, the mathematics model that used is a model which describes the global temperatures, forest cover, and seasonal rainfall called the TFR (temperature, forest cover, and rainfall) model. The model will be discretized first, and then it will be estimated by the method of Ensemble Kalman Filter (EnKF). The result shows that the more ensembles used in estimation, the better the result is. Also, the accurateness of simulation result is influenced by measurement variable. If a variable is measurement data, the result of simulation is better.

Gridded Calibration of Ensemble Wind Vector Forecasts Using Ensemble Model Output Statistics

NASA Astrophysics Data System (ADS)

Lazarus, S. M.; Holman, B. P.; Splitt, M. E.

2017-12-01

A computationally efficient method is developed that performs gridded post processing of ensemble wind vector forecasts. An expansive set of idealized WRF model simulations are generated to provide physically consistent high resolution winds over a coastal domain characterized by an intricate land / water mask. Ensemble model output statistics (EMOS) is used to calibrate the ensemble wind vector forecasts at observation locations. The local EMOS predictive parameters (mean and variance) are then spread throughout the grid utilizing flow-dependent statistical relationships extracted from the downscaled WRF winds. Using data withdrawal and 28 east central Florida stations, the method is applied to one year of 24 h wind forecasts from the Global Ensemble Forecast System (GEFS). Compared to the raw GEFS, the approach improves both the deterministic and probabilistic forecast skill. Analysis of multivariate rank histograms indicate the post processed forecasts are calibrated. Two downscaling case studies are presented, a quiescent easterly flow event and a frontal passage. Strengths and weaknesses of the approach are presented and discussed.

Uncertainty, ensembles and air quality dispersion modeling: applications and challenges

NASA Astrophysics Data System (ADS)

Dabberdt, Walter F.; Miller, Erik

The past two decades have seen significant advances in mesoscale meteorological modeling research and applications, such as the development of sophisticated and now widely used advanced mesoscale prognostic models, large eddy simulation models, four-dimensional data assimilation, adjoint models, adaptive and targeted observational strategies, and ensemble and probabilistic forecasts. Some of these advances are now being applied to urban air quality modeling and applications. Looking forward, it is anticipated that the high-priority air quality issues for the near-to-intermediate future will likely include: (1) routine operational forecasting of adverse air quality episodes; (2) real-time high-level support to emergency response activities; and (3) quantification of model uncertainty. Special attention is focused here on the quantification of model uncertainty through the use of ensemble simulations. Application to emergency-response dispersion modeling is illustrated using an actual event that involved the accidental release of the toxic chemical oleum. Both surface footprints of mass concentration and the associated probability distributions at individual receptors are seen to provide valuable quantitative indicators of the range of expected concentrations and their associated uncertainty.

A Flexible Approach for the Statistical Visualization of Ensemble Data

DOE Office of Scientific and Technical Information (OSTI.GOV)

Potter, K.; Wilson, A.; Bremer, P.

2009-09-29

Scientists are increasingly moving towards ensemble data sets to explore relationships present in dynamic systems. Ensemble data sets combine spatio-temporal simulation results generated using multiple numerical models, sampled input conditions and perturbed parameters. While ensemble data sets are a powerful tool for mitigating uncertainty, they pose significant visualization and analysis challenges due to their complexity. We present a collection of overview and statistical displays linked through a high level of interactivity to provide a framework for gaining key scientific insight into the distribution of the simulation results as well as the uncertainty associated with the data. In contrast to methodsmore » that present large amounts of diverse information in a single display, we argue that combining multiple linked statistical displays yields a clearer presentation of the data and facilitates a greater level of visual data analysis. We demonstrate this approach using driving problems from climate modeling and meteorology and discuss generalizations to other fields.« less

How well the Reliable Ensemble Averaging Method (REA) for 15 CMIP5 GCMs simulations works for Mexico?

NASA Astrophysics Data System (ADS)

Colorado, G.; Salinas, J. A.; Cavazos, T.; de Grau, P.

2013-05-01

15 CMIP5 GCMs precipitation simulations were combined in a weighted ensemble using the Reliable Ensemble Averaging (REA) method, obtaining the weight of each model. This was done for a historical period (1961-2000) and for the future emissions based on low (RCP4.5) and high (RCP8.5) radiating forcing for the period 2075-2099. The annual cycle of simple ensemble of the historical GCMs simulations, the historical REA average and the Climate Research Unit (CRU TS3.1) database was compared in four zones of México. In the case of precipitation we can see the improvements by using the REA method, especially in the two northern zones of México where the REA average is more close to the observations (CRU) that the simple average. However in the southern zones although there is an improvement it is not as good as it is in the north, particularly in the southeast where instead of the REA average is able to reproduce qualitatively good the annual cycle with the mid-summer drought it was greatly underestimated. The main reason is because the precipitation is underestimated for all the models and the mid-summer drought do not even exists in some models. In the REA average of the future scenarios, as we can expected, the most drastic decrease in precipitation was simulated using the RCP8.5 especially in the monsoon area and in the south of Mexico in summer and in winter. In the center and southern of Mexico however, the same scenario in autumn simulates an increase of precipitation.

Bayesian energy landscape tilting: towards concordant models of molecular ensembles.

PubMed

Beauchamp, Kyle A; Pande, Vijay S; Das, Rhiju

2014-03-18

Predicting biological structure has remained challenging for systems such as disordered proteins that take on myriad conformations. Hybrid simulation/experiment strategies have been undermined by difficulties in evaluating errors from computational model inaccuracies and data uncertainties. Building on recent proposals from maximum entropy theory and nonequilibrium thermodynamics, we address these issues through a Bayesian energy landscape tilting (BELT) scheme for computing Bayesian hyperensembles over conformational ensembles. BELT uses Markov chain Monte Carlo to directly sample maximum-entropy conformational ensembles consistent with a set of input experimental observables. To test this framework, we apply BELT to model trialanine, starting from disagreeing simulations with the force fields ff96, ff99, ff99sbnmr-ildn, CHARMM27, and OPLS-AA. BELT incorporation of limited chemical shift and (3)J measurements gives convergent values of the peptide's α, β, and PPII conformational populations in all cases. As a test of predictive power, all five BELT hyperensembles recover set-aside measurements not used in the fitting and report accurate errors, even when starting from highly inaccurate simulations. BELT's principled framework thus enables practical predictions for complex biomolecular systems from discordant simulations and sparse data. Copyright © 2014 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Good Models Gone Bad: Quantifying and Predicting Parameter-Induced Climate Model Simulation Failures

NASA Astrophysics Data System (ADS)

Lucas, D. D.; Klein, R.; Tannahill, J.; Brandon, S.; Covey, C. C.; Domyancic, D.; Ivanova, D. P.

2012-12-01

Simulations using IPCC-class climate models are subject to fail or crash for a variety of reasons. Statistical analysis of the failures can yield useful insights to better understand and improve the models. During the course of uncertainty quantification (UQ) ensemble simulations to assess the effects of ocean model parameter uncertainties on climate simulations, we experienced a series of simulation failures of the Parallel Ocean Program (POP2). About 8.5% of our POP2 runs failed for numerical reasons at certain combinations of parameter values. We apply support vector machine (SVM) classification from the fields of pattern recognition and machine learning to quantify and predict the probability of failure as a function of the values of 18 POP2 parameters. The SVM classifiers readily predict POP2 failures in an independent validation ensemble, and are subsequently used to determine the causes of the failures via a global sensitivity analysis. Four parameters related to ocean mixing and viscosity are identified as the major sources of POP2 failures. Our method can be used to improve the robustness of complex scientific models to parameter perturbations and to better steer UQ ensembles. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 and was funded by the Uncertainty Quantification Strategic Initiative Laboratory Directed Research and Development Project at LLNL under project tracking code 10-SI-013 (UCRL LLNL-ABS-569112).

Simulating the IPOD, East Asian summer monsoon, and their relationships in CMIP5

NASA Astrophysics Data System (ADS)

Yu, Miao; Li, Jianping; Zheng, Fei; Wang, Xiaofan; Zheng, Jiayu

2018-03-01

This paper evaluates the simulation performance of the 37 coupled models from the Coupled Model Intercomparison Project Phase 5 (CMIP5) with respect to the East Asian summer monsoon (EASM) and the Indo-Pacific warm pool and North Pacific Ocean dipole (IPOD) and also the interrelationships between them. The results show that the majority of the models are unable to accurately simulate the interannual variability and long-term trends of the EASM, and their simulations of the temporal and spatial variations of the IPOD are also limited. Further analysis showed that the correlation coefficients between the simulated and observed EASM index (EASMI) is proportional to those between the simulated and observed IPOD index (IPODI); that is, if the models have skills to simulate one of them then they will likely generate good simulations of another. Based on the above relationship, this paper proposes a conditional multi-model ensemble method (CMME) that eliminates those models without capability to simulate the IPOD and EASM when calculating the multi-model ensemble (MME). The analysis shows that, compared with the MME, this CMME method can significantly improve the simulations of the spatial and temporal variations of both the IPOD and EASM as well as their interrelationship, suggesting the potential for the CMME approach to be used in place of the MME method.

Reduction of predictive uncertainty in estimating irrigation water requirement through multi-model ensembles and ensemble averaging

NASA Astrophysics Data System (ADS)

Multsch, S.; Exbrayat, J.-F.; Kirby, M.; Viney, N. R.; Frede, H.-G.; Breuer, L.

2014-11-01

Irrigation agriculture plays an increasingly important role in food supply. Many evapotranspiration models are used today to estimate the water demand for irrigation. They consider different stages of crop growth by empirical crop coefficients to adapt evapotranspiration throughout the vegetation period. We investigate the importance of the model structural vs. model parametric uncertainty for irrigation simulations by considering six evapotranspiration models and five crop coefficient sets to estimate irrigation water requirements for growing wheat in the Murray-Darling Basin, Australia. The study is carried out using the spatial decision support system SPARE:WATER. We find that structural model uncertainty is far more important than model parametric uncertainty to estimate irrigation water requirement. Using the Reliability Ensemble Averaging (REA) technique, we are able to reduce the overall predictive model uncertainty by more than 10%. The exceedance probability curve of irrigation water requirements shows that a certain threshold, e.g. an irrigation water limit due to water right of 400 mm, would be less frequently exceeded in case of the REA ensemble average (45%) in comparison to the equally weighted ensemble average (66%). We conclude that multi-model ensemble predictions and sophisticated model averaging techniques are helpful in predicting irrigation demand and provide relevant information for decision making.

Multi-model analysis in hydrological prediction

NASA Astrophysics Data System (ADS)

Lanthier, M.; Arsenault, R.; Brissette, F.

2017-12-01

Hydrologic modelling, by nature, is a simplification of the real-world hydrologic system. Therefore ensemble hydrological predictions thus obtained do not present the full range of possible streamflow outcomes, thereby producing ensembles which demonstrate errors in variance such as under-dispersion. Past studies show that lumped models used in prediction mode can return satisfactory results, especially when there is not enough information available on the watershed to run a distributed model. But all lumped models greatly simplify the complex processes of the hydrologic cycle. To generate more spread in the hydrologic ensemble predictions, multi-model ensembles have been considered. In this study, the aim is to propose and analyse a method that gives an ensemble streamflow prediction that properly represents the forecast probabilities and reduced ensemble bias. To achieve this, three simple lumped models are used to generate an ensemble. These will also be combined using multi-model averaging techniques, which generally generate a more accurate hydrogram than the best of the individual models in simulation mode. This new predictive combined hydrogram is added to the ensemble, thus creating a large ensemble which may improve the variability while also improving the ensemble mean bias. The quality of the predictions is then assessed on different periods: 2 weeks, 1 month, 3 months and 6 months using a PIT Histogram of the percentiles of the real observation volumes with respect to the volumes of the ensemble members. Initially, the models were run using historical weather data to generate synthetic flows. This worked for individual models, but not for the multi-model and for the large ensemble. Consequently, by performing data assimilation at each prediction period and thus adjusting the initial states of the models, the PIT Histogram could be constructed using the observed flows while allowing the use of the multi-model predictions. The under-dispersion has been largely corrected on short-term predictions. For the longer term, the addition of the multi-model member has been beneficial to the quality of the predictions, although it is too early to determine whether the gain is related to the addition of a member or if multi-model member has plus-value itself.

Impact of climate change upon vector born diseases in Europe and Africa using ENSEMBLES Regional Climate Models

NASA Astrophysics Data System (ADS)

Caminade, Cyril; Morse, Andy

2010-05-01

Climate variability is an important component in determining the incidence of a number of diseases with significant human/animal health and socioeconomic impacts. The most important diseases affecting health are vector-borne, such as malaria, Rift Valley Fever and including those that are tick borne, with over 3 billion of the world population at risk. Malaria alone is responsible for at least one million deaths annually, with 80% of malaria deaths occurring in sub-Saharan Africa. The climate has a large impact upon the incidence of vector-borne diseases; directly via the development rates and survival of both the pathogen and the vector, and indirectly through changes in the environmental conditions. A large ensemble of regional climate model simulations has been produced within the ENSEMBLES project framework for both the European and African continent. This work will present recent progress in human and animal disease modelling, based on high resolution climate observations and regional climate simulations. Preliminary results will be given as an illustration, including the impact of climate change upon bluetongue (disease affecting the cattle) over Europe and upon malaria and Rift Valley Fever over Africa. Malaria scenarios based on RCM ensemble simulations have been produced for West Africa. These simulations have been carried out using the Liverpool Malaria Model. Future projections highlight that the malaria incidence decreases at the northern edge of the Sahel and that the epidemic belt is shifted southward in autumn. This could lead to significant public health problems in the future as the demography is expected to dramatically rise over Africa for the 21st century.

Linking 1D coastal ocean modelling to environmental management: an ensemble approach

NASA Astrophysics Data System (ADS)

Mussap, Giulia; Zavatarelli, Marco; Pinardi, Nadia

2017-12-01

The use of a one-dimensional interdisciplinary numerical model of the coastal ocean as a tool contributing to the formulation of ecosystem-based management (EBM) is explored. The focus is on the definition of an experimental design based on ensemble simulations, integrating variability linked to scenarios (characterised by changes in the system forcing) and to the concurrent variation of selected, and poorly constrained, model parameters. The modelling system used was previously specifically designed for the use in "data-rich" areas, so that horizontal dynamics can be resolved by a diagnostic approach and external inputs can be parameterised by nudging schemes properly calibrated. Ensembles determined by changes in the simulated environmental (physical and biogeochemical) dynamics, under joint forcing and parameterisation variations, highlight the uncertainties associated to the application of specific scenarios that are relevant to EBM, providing an assessment of the reliability of the predicted changes. The work has been carried out by implementing the coupled modelling system BFM-POM1D in an area of Gulf of Trieste (northern Adriatic Sea), considered homogeneous from the point of view of hydrological properties, and forcing it by changing climatic (warming) and anthropogenic (reduction of the land-based nutrient input) pressure. Model parameters affected by considerable uncertainties (due to the lack of relevant observations) were varied jointly with the scenarios of change. The resulting large set of ensemble simulations provided a general estimation of the model uncertainties related to the joint variation of pressures and model parameters. The information of the model result variability aimed at conveying efficiently and comprehensibly the information on the uncertainties/reliability of the model results to non-technical EBM planners and stakeholders, in order to have the model-based information effectively contributing to EBM.

Structural Uncertainty in Antarctic sea ice simulations

NASA Astrophysics Data System (ADS)

Schneider, D. P.

2016-12-01

The inability of the vast majority of historical climate model simulations to reproduce the observed increase in Antarctic sea ice has motivated many studies about the quality of the observational record, the role of natural variability versus forced changes, and the possibility of missing or inadequate forcings in the models (such as freshwater discharge from thinning ice shelves or an inadequate magnitude of stratospheric ozone depletion). In this presentation I will highlight another source of uncertainty that has received comparatively little attention: Structural uncertainty, that is, the systematic uncertainty in simulated sea ice trends that arises from model physics and mean-state biases. Using two large ensembles of experiments from the Community Earth System Model (CESM), I will show that the model is predisposed towards producing negative Antarctic sea ice trends during 1979-present, and that this outcome is not simply because the model's decadal variability is out-of-synch with that in nature. In the "Tropical Pacific Pacemaker" ensemble, in which observed tropical Pacific SST anomalies are prescribed, the model produces very realistic atmospheric circulation trends over the Southern Ocean, yet the sea ice trend is negative in every ensemble member. However, if the ensemble-mean trend (commonly interpreted as the forced response) is removed, some ensemble members show a sea ice increase that is very similar to the observed. While this results does confirm the important role of natural variability, it also suggests a strong bias in the forced response. I will discuss the reasons for this systematic bias and explore possible remedies. This an important problem to solve because projections of 21st -Century changes in the Antarctic climate system (including ice sheet surface mass balance changes and related changes in the sea level budget) have a strong dependence on the mean state of and changes in the Antarctic sea ice cover. This problem is not unique to CESM, but is pervasive across CMIP5-class models.

Reconstruction of the 1997/1998 El Nino from TOPEX/POSEIDON and TOGA/TAO Data Using a Massively Parallel Pacific-Ocean Model and Ensemble Kalman Filter

NASA Technical Reports Server (NTRS)

Keppenne, C. L.; Rienecker, M.; Borovikov, A. Y.

1999-01-01

Two massively parallel data assimilation systems in which the model forecast-error covariances are estimated from the distribution of an ensemble of model integrations are applied to the assimilation of 97-98 TOPEX/POSEIDON altimetry and TOGA/TAO temperature data into a Pacific basin version the NASA Seasonal to Interannual Prediction Project (NSIPP)ls quasi-isopycnal ocean general circulation model. in the first system, ensemble of model runs forced by an ensemble of atmospheric model simulations is used to calculate asymptotic error statistics. The data assimilation then occurs in the reduced phase space spanned by the corresponding leading empirical orthogonal functions. The second system is an ensemble Kalman filter in which new error statistics are computed during each assimilation cycle from the time-dependent ensemble distribution. The data assimilation experiments are conducted on NSIPP's 512-processor CRAY T3E. The two data assimilation systems are validated by withholding part of the data and quantifying the extent to which the withheld information can be inferred from the assimilation of the remaining data. The pros and cons of each system are discussed.

Impacts of calibration strategies and ensemble methods on ensemble flood forecasting over Lanjiang basin, Southeast China

NASA Astrophysics Data System (ADS)

Liu, Li; Xu, Yue-Ping

2017-04-01

Ensemble flood forecasting driven by numerical weather prediction products is becoming more commonly used in operational flood forecasting applications.In this study, a hydrological ensemble flood forecasting system based on Variable Infiltration Capacity (VIC) model and quantitative precipitation forecasts from TIGGE dataset is constructed for Lanjiang Basin, Southeast China. The impacts of calibration strategies and ensemble methods on the performance of the system are then evaluated.The hydrological model is optimized by parallel programmed ɛ-NSGAII multi-objective algorithm and two respectively parameterized models are determined to simulate daily flows and peak flows coupled with a modular approach.The results indicatethat the ɛ-NSGAII algorithm permits more efficient optimization and rational determination on parameter setting.It is demonstrated that the multimodel ensemble streamflow mean have better skills than the best singlemodel ensemble mean (ECMWF) and the multimodel ensembles weighted on members and skill scores outperform other multimodel ensembles. For typical flood event, it is proved that the flood can be predicted 3-4 days in advance, but the flows in rising limb can be captured with only 1-2 days ahead due to the flash feature. With respect to peak flows selected by Peaks Over Threshold approach, the ensemble means from either singlemodel or multimodels are generally underestimated as the extreme values are smoothed out by ensemble process.

Multiensemble Markov models of molecular thermodynamics and kinetics.

PubMed

Wu, Hao; Paul, Fabian; Wehmeyer, Christoph; Noé, Frank

2016-06-07

We introduce the general transition-based reweighting analysis method (TRAM), a statistically optimal approach to integrate both unbiased and biased molecular dynamics simulations, such as umbrella sampling or replica exchange. TRAM estimates a multiensemble Markov model (MEMM) with full thermodynamic and kinetic information at all ensembles. The approach combines the benefits of Markov state models-clustering of high-dimensional spaces and modeling of complex many-state systems-with those of the multistate Bennett acceptance ratio of exploiting biased or high-temperature ensembles to accelerate rare-event sampling. TRAM does not depend on any rate model in addition to the widely used Markov state model approximation, but uses only fundamental relations such as detailed balance and binless reweighting of configurations between ensembles. Previous methods, including the multistate Bennett acceptance ratio, discrete TRAM, and Markov state models are special cases and can be derived from the TRAM equations. TRAM is demonstrated by efficiently computing MEMMs in cases where other estimators break down, including the full thermodynamics and rare-event kinetics from high-dimensional simulation data of an all-atom protein-ligand binding model.

A Comparison of Perturbed Initial Conditions and Multiphysics Ensembles in a Severe Weather Episode in Spain

NASA Technical Reports Server (NTRS)

Tapiador, Francisco; Tao, Wei-Kuo; Angelis, Carlos F.; Martinez, Miguel A.; Cecilia Marcos; Antonio Rodriguez; Hou, Arthur; Jong Shi, Jain

2012-01-01

Ensembles of numerical model forecasts are of interest to operational early warning forecasters as the spread of the ensemble provides an indication of the uncertainty of the alerts, and the mean value is deemed to outperform the forecasts of the individual models. This paper explores two ensembles on a severe weather episode in Spain, aiming to ascertain the relative usefulness of each one. One ensemble uses sensible choices of physical parameterizations (precipitation microphysics, land surface physics, and cumulus physics) while the other follows a perturbed initial conditions approach. The results show that, depending on the parameterizations, large differences can be expected in terms of storm location, spatial structure of the precipitation field, and rain intensity. It is also found that the spread of the perturbed initial conditions ensemble is smaller than the dispersion due to physical parameterizations. This confirms that in severe weather situations operational forecasts should address moist physics deficiencies to realize the full benefits of the ensemble approach, in addition to optimizing initial conditions. The results also provide insights into differences in simulations arising from ensembles of weather models using several combinations of different physical parameterizations.

Reliability ensemble averaging of 21st century projections of terrestrial net primary productivity reduces global and regional uncertainties

NASA Astrophysics Data System (ADS)

Exbrayat, Jean-François; Bloom, A. Anthony; Falloon, Pete; Ito, Akihiko; Smallman, T. Luke; Williams, Mathew

2018-02-01

Multi-model averaging techniques provide opportunities to extract additional information from large ensembles of simulations. In particular, present-day model skill can be used to evaluate their potential performance in future climate simulations. Multi-model averaging methods have been used extensively in climate and hydrological sciences, but they have not been used to constrain projected plant productivity responses to climate change, which is a major uncertainty in Earth system modelling. Here, we use three global observationally orientated estimates of current net primary productivity (NPP) to perform a reliability ensemble averaging (REA) method using 30 global simulations of the 21st century change in NPP based on the Inter-Sectoral Impact Model Intercomparison Project (ISIMIP) business as usual emissions scenario. We find that the three REA methods support an increase in global NPP by the end of the 21st century (2095-2099) compared to 2001-2005, which is 2-3 % stronger than the ensemble ISIMIP mean value of 24.2 Pg C y-1. Using REA also leads to a 45-68 % reduction in the global uncertainty of 21st century NPP projection, which strengthens confidence in the resilience of the CO2 fertilization effect to climate change. This reduction in uncertainty is especially clear for boreal ecosystems although it may be an artefact due to the lack of representation of nutrient limitations on NPP in most models. Conversely, the large uncertainty that remains on the sign of the response of NPP in semi-arid regions points to the need for better observations and model development in these regions.

Impacts of weather versus climate and driver uncertainty on multi-centennial ecosystem model simulations

NASA Astrophysics Data System (ADS)

Rollinson, C.; Simkins, J.; Fer, I.; Desai, A. R.; Dietze, M.

2017-12-01

Simulations of ecosystem dynamics and comparisons with empirical data require accurate, continuous, and often sub-daily meteorology records that are spatially aligned to the scale of the empirical data. A wealth of meteorology data for the past, present, and future is available through site-specific observations, modern reanalysis products, and gridded GCM simulations. However, these products are mismatched in spatial and temporal resolution, often with both different means and seasonal patterns. We have designed and implemented a two-step meteorological downscaling and ensemble generation method that combines multiple meteorology data products through debiasing and temporal downscaling protocols. Our methodology is designed to preserve the covariance among seven meteorological variables for use as drivers in ecosystem model simulations: temperature, precipitation, short- and longwave radiation, surface pressure, humidity, and wind. Furthermore, our method propagates uncertainty through the downscaling process and results in ensembles of meteorology that can be compared to paleoclimate reconstructions and used to analyze the effects of both high- and low-frequency climate anomalies on ecosystem dynamics. Using a multiple linear regression approach, we have combined hourly, 0.125-degree gridded data from the NLDAS (1980-present) with CRUNCEP (1901-2010) and CMIP5 historical (1850-2005), past millennium (850-1849), and future (1950-2100) GCM simulations. This has resulted in an ensemble of continuous, hourly-resolved meteorology from from the paleo era into the future with variability in weather events as well as low-frequency climatic changes. We investigate the influence of extreme sub-daily weather phenomena versus long-term climatic changes in an ensemble of ecosystem models that range in atmospheric and biological complexity. Through data assimilation with paleoclimate reconstructions of past climate, we can improve data-model comparisons using observations of vegetation change from the past 1200 years. Accounting for driver uncertainty in model evaluation can help determine the relative influence of structural versus parameterization errors in ecosystem modelings.

Comparing the Degree of Land-Atmosphere Interaction in Four Atmospheric General Circulation Models

NASA Technical Reports Server (NTRS)

Koster, Randal D.; Dirmeyer, Paul A.; Hahmann, Andrea N.; Ijpelaar, Ruben; Tyahla, Lori; Cox, Peter; Suarez, Max J.; Houser, Paul R. (Technical Monitor)

2001-01-01

Land-atmosphere feedback, by which (for example) precipitation-induced moisture anomalies at the land surface affect the overlying atmosphere and thereby the subsequent generation of precipitation, has been examined and quantified with many atmospheric general circulation models (AGCMs). Generally missing from such studies, however, is an indication of the extent to which the simulated feedback strength is model dependent. Four modeling groups have recently performed a highly controlled numerical experiment that allows an objective inter-model comparison of land-atmosphere feedback strength. The experiment essentially consists of an ensemble of simulations in which each member simulation artificially maintains the same time series of surface prognostic variables. Differences in atmospheric behavior between the ensemble members then indicates the degree to which the state of the land surface controls atmospheric processes in that model. A comparison of the four sets of experimental results shows that feedback strength does indeed vary significantly between the AGCMs.

Soil and vegetation parameter uncertainty on future terrestrial carbon sinks

NASA Astrophysics Data System (ADS)

Kothavala, Z.; Felzer, B. S.

2013-12-01

We examine the role of the terrestrial carbon cycle in a changing climate at the centennial scale using an intermediate complexity Earth system climate model that includes the effects of dynamic vegetation and the global carbon cycle. We present a series of ensemble simulations to evaluate the sensitivity of simulated terrestrial carbon sinks to three key model parameters: (a) The temperature dependence of soil carbon decomposition, (b) the upper temperature limits on the rate of photosynthesis, and (c) the nitrogen limitation of the maximum rate of carboxylation of Rubisco. We integrated the model in fully coupled mode for a 1200-year spin-up period, followed by a 300-year transient simulation starting at year 1800. Ensemble simulations were conducted varying each parameter individually and in combination with other variables. The results of the transient simulations show that terrestrial carbon uptake is very sensitive to the choice of model parameters. Changes in net primary productivity were most sensitive to the upper temperature limit on the rate of photosynthesis, which also had a dominant effect on overall land carbon trends; this is consistent with previous research that has shown the importance of climatic suppression of photosynthesis as a driver of carbon-climate feedbacks. Soil carbon generally decreased with increasing temperature, though the magnitude of this trend depends on both the net primary productivity changes and the temperature dependence of soil carbon decomposition. Vegetation carbon increased in some simulations, but this was not consistent across all configurations of model parameters. Comparing to global carbon budget observations, we identify the subset of model parameters which are consistent with observed carbon sinks; this serves to narrow considerably the future model projections of terrestrial carbon sink changes in comparison with the full model ensemble.

On the Lack of Stratospheric Dynamical Variability in Low-top Versions of the CMIP5 Models

NASA Technical Reports Server (NTRS)

Charlton-Perez, Andrew J.; Baldwin, Mark P.; Birner, Thomas; Black, Robert X.; Butler, Amy H.; Calvo, Natalia; Davis, Nicholas A.; Gerber, Edwin P.; Gillett, Nathan; Hardiman, Steven;

The interplay between cooperativity and diversity in model threshold ensembles

PubMed Central

Cervera, Javier; Manzanares, José A.; Mafe, Salvador

2014-01-01

The interplay between cooperativity and diversity is crucial for biological ensembles because single molecule experiments show a significant degree of heterogeneity and also for artificial nanostructures because of the high individual variability characteristic of nanoscale units. We study the cross-effects between cooperativity and diversity in model threshold ensembles composed of individually different units that show a cooperative behaviour. The units are modelled as statistical distributions of parameters (the individual threshold potentials here) characterized by central and width distribution values. The simulations show that the interplay between cooperativity and diversity results in ensemble-averaged responses of interest for the understanding of electrical transduction in cell membranes, the experimental characterization of heterogeneous groups of biomolecules and the development of biologically inspired engineering designs with individually different building blocks. PMID:25142516

Climate change and watershed mercury export: a multiple projection and model analysis.

PubMed

Golden, Heather E; Knightes, Christopher D; Conrads, Paul A; Feaster, Toby D; Davis, Gary M; Benedict, Stephen T; Bradley, Paul M

2013-09-01

Future shifts in climatic conditions may impact watershed mercury (Hg) dynamics and transport. An ensemble of watershed models was applied in the present study to simulate and evaluate the responses of hydrological and total Hg (THg) fluxes from the landscape to the watershed outlet and in-stream THg concentrations to contrasting climate change projections for a watershed in the southeastern coastal plain of the United States. Simulations were conducted under stationary atmospheric deposition and land cover conditions to explicitly evaluate the effect of projected precipitation and temperature on watershed Hg export (i.e., the flux of Hg at the watershed outlet). Based on downscaled inputs from 2 global circulation models that capture extremes of projected wet (Community Climate System Model, Ver 3 [CCSM3]) and dry (ECHAM4/HOPE-G [ECHO]) conditions for this region, watershed model simulation results suggest a decrease of approximately 19% in ensemble-averaged mean annual watershed THg fluxes using the ECHO climate-change model and an increase of approximately 5% in THg fluxes with the CCSM3 model. Ensemble-averaged mean annual ECHO in-stream THg concentrations increased 20%, while those of CCSM3 decreased by 9% between the baseline and projected simulation periods. Watershed model simulation results using both climate change models suggest that monthly watershed THg fluxes increase during the summer, when projected flow is higher than baseline conditions. The present study's multiple watershed model approach underscores the uncertainty associated with climate change response projections and their use in climate change management decisions. Thus, single-model predictions can be misleading, particularly in developmental stages of watershed Hg modeling. Copyright © 2013 SETAC.

Multiensemble Markov models of molecular thermodynamics and kinetics

PubMed Central

Wu, Hao; Paul, Fabian; Noé, Frank

2016-01-01

We introduce the general transition-based reweighting analysis method (TRAM), a statistically optimal approach to integrate both unbiased and biased molecular dynamics simulations, such as umbrella sampling or replica exchange. TRAM estimates a multiensemble Markov model (MEMM) with full thermodynamic and kinetic information at all ensembles. The approach combines the benefits of Markov state models—clustering of high-dimensional spaces and modeling of complex many-state systems—with those of the multistate Bennett acceptance ratio of exploiting biased or high-temperature ensembles to accelerate rare-event sampling. TRAM does not depend on any rate model in addition to the widely used Markov state model approximation, but uses only fundamental relations such as detailed balance and binless reweighting of configurations between ensembles. Previous methods, including the multistate Bennett acceptance ratio, discrete TRAM, and Markov state models are special cases and can be derived from the TRAM equations. TRAM is demonstrated by efficiently computing MEMMs in cases where other estimators break down, including the full thermodynamics and rare-event kinetics from high-dimensional simulation data of an all-atom protein–ligand binding model. PMID:27226302

Estimation of ice activation parameters within a particle tracking Lagrangian cloud model using the ensemble Kalman filter to match ISCDAC golden case observations

NASA Astrophysics Data System (ADS)

Reisner, J. M.; Dubey, M. K.

2010-12-01

To both quantify and reduce uncertainty in ice activation parameterizations for stratus clouds occurring in the temperature range between -5 to -10 C ensemble simulations of an ISDAC golden case have been conducted. To formulate the ensemble, three parameters found within an ice activation model have been sampled using a Latin hypercube technique over a parameter range that induces large variability in both number and mass of ice. The ice activation model is contained within a Lagrangian cloud model that simulates particle number as a function of radius for cloud ice, snow, graupel, cloud, and rain particles. A unique aspect of this model is that it produces very low levels of numerical diffusion that enable the model to accurately resolve the sharp cloud edges associated with the ISDAC stratus deck. Another important aspect of the model is that near the cloud edges the number of particles can be significantly increased to reduce sampling errors and accurately resolve physical processes such as collision-coalescence that occur in this region. Thus, given these relatively low numerical errors, as compared to traditional bin models, the sensitivity of a stratus deck to changes in parameters found within the activation model can be examined without fear of numerical contamination. Likewise, once the ensemble has been completed, ISDAC observations can be incorporated into a Kalman filter to optimally estimate the ice activation parameters and reduce overall model uncertainty. Hence, this work will highlight the ability of an ensemble Kalman filter system coupled to a highly accurate numerical model to estimate important parameters found within microphysical parameterizations containing high uncertainty.

"Intelligent Ensemble" Projections of Precipitation and Surface Radiation in Support of Agricultural Climate Change Adaptation

NASA Technical Reports Server (NTRS)

Taylor, Patrick C.; Baker, Noel C.

2015-01-01

Earth's climate is changing and will continue to change into the foreseeable future. Expected changes in the climatological distribution of precipitation, surface temperature, and surface solar radiation will significantly impact agriculture. Adaptation strategies are, therefore, required to reduce the agricultural impacts of climate change. Climate change projections of precipitation, surface temperature, and surface solar radiation distributions are necessary input for adaption planning studies. These projections are conventionally constructed from an ensemble of climate model simulations (e.g., the Coupled Model Intercomparison Project 5 (CMIP5)) as an equal weighted average, one model one vote. Each climate model, however, represents the array of climate-relevant physical processes with varying degrees of fidelity influencing the projection of individual climate variables differently. Presented here is a new approach, termed the "Intelligent Ensemble, that constructs climate variable projections by weighting each model according to its ability to represent key physical processes, e.g., precipitation probability distribution. This approach provides added value over the equal weighted average method. Physical process metrics applied in the "Intelligent Ensemble" method are created using a combination of NASA and NOAA satellite and surface-based cloud, radiation, temperature, and precipitation data sets. The "Intelligent Ensemble" method is applied to the RCP4.5 and RCP8.5 anthropogenic climate forcing simulations within the CMIP5 archive to develop a set of climate change scenarios for precipitation, temperature, and surface solar radiation in each USDA Farm Resource Region for use in climate change adaptation studies.

Investigation of short-term effective radiative forcing of fire aerosols over North America using nudged hindcast ensembles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Yawen; Zhang, Kai; Qian, Yun

Aerosols from fire emissions can potentially have large impact on clouds and radiation. However, fire aerosol sources are often intermittent, and their effect on weather and climate is difficult to quantify. Here we investigated the short-term effective radiative forcing of fire aerosols using the global aerosol–climate model Community Atmosphere Model version 5 (CAM5). Different from previous studies, we used nudged hindcast ensembles to quantify the forcing uncertainty due to the chaotic response to small perturbations in the atmosphere state. Daily mean emissions from three fire inventories were used to consider the uncertainty in emission strength and injection heights. The simulated aerosolmore » optical depth (AOD) and mass concentrations were evaluated against in situ measurements and reanalysis data. Overall, the results show the model has reasonably good predicting skills. Short (10-day) nudged ensemble simulations were then performed with and without fire emissions to estimate the effective radiative forcing. Results show fire aerosols have large effects on both liquid and ice clouds over the two selected regions in April 2009. Ensemble mean results show strong negative shortwave cloud radiative effect (SCRE) over almost the entirety of southern Mexico, with a 10-day regional mean value of –3.0 W m –2. Over the central US, the SCRE is positive in the north but negative in the south, and the regional mean SCRE is small (–0.56 W m –2). For the 10-day average, we found a large ensemble spread of regional mean shortwave cloud radiative effect over southern Mexico (15.6 % of the corresponding ensemble mean) and the central US (64.3 %), despite the regional mean AOD time series being almost indistinguishable during the 10-day period. Moreover, the ensemble spread is much larger when using daily averages instead of 10-day averages. In conclusion, this demonstrates the importance of using a large ensemble of simulations to estimate the short-term aerosol effective radiative forcing.« less

Investigation of short-term effective radiative forcing of fire aerosols over North America using nudged hindcast ensembles

DOE PAGES

Liu, Yawen; Zhang, Kai; Qian, Yun; ...

2018-01-03

Aerosols from fire emissions can potentially have large impact on clouds and radiation. However, fire aerosol sources are often intermittent, and their effect on weather and climate is difficult to quantify. Here we investigated the short-term effective radiative forcing of fire aerosols using the global aerosol–climate model Community Atmosphere Model version 5 (CAM5). Different from previous studies, we used nudged hindcast ensembles to quantify the forcing uncertainty due to the chaotic response to small perturbations in the atmosphere state. Daily mean emissions from three fire inventories were used to consider the uncertainty in emission strength and injection heights. The simulated aerosolmore » optical depth (AOD) and mass concentrations were evaluated against in situ measurements and reanalysis data. Overall, the results show the model has reasonably good predicting skills. Short (10-day) nudged ensemble simulations were then performed with and without fire emissions to estimate the effective radiative forcing. Results show fire aerosols have large effects on both liquid and ice clouds over the two selected regions in April 2009. Ensemble mean results show strong negative shortwave cloud radiative effect (SCRE) over almost the entirety of southern Mexico, with a 10-day regional mean value of –3.0 W m –2. Over the central US, the SCRE is positive in the north but negative in the south, and the regional mean SCRE is small (–0.56 W m –2). For the 10-day average, we found a large ensemble spread of regional mean shortwave cloud radiative effect over southern Mexico (15.6 % of the corresponding ensemble mean) and the central US (64.3 %), despite the regional mean AOD time series being almost indistinguishable during the 10-day period. Moreover, the ensemble spread is much larger when using daily averages instead of 10-day averages. In conclusion, this demonstrates the importance of using a large ensemble of simulations to estimate the short-term aerosol effective radiative forcing.« less

Grand canonical ensemble Monte Carlo simulation of the dCpG/proflavine crystal hydrate.

PubMed

Resat, H; Mezei, M

1996-09-01

The grand canonical ensemble Monte Carlo molecular simulation method is used to investigate hydration patterns in the crystal hydrate structure of the dCpG/proflavine intercalated complex. The objective of this study is to show by example that the recently advocated grand canonical ensemble simulation is a computationally efficient method for determining the positions of the hydrating water molecules in protein and nucleic acid structures. A detailed molecular simulation convergence analysis and an analogous comparison of the theoretical results with experiments clearly show that the grand ensemble simulations can be far more advantageous than the comparable canonical ensemble simulations.

Ensemble MD simulations restrained via crystallographic data: Accurate structure leads to accurate dynamics

PubMed Central

Xue, Yi; Skrynnikov, Nikolai R

2014-01-01

Currently, the best existing molecular dynamics (MD) force fields cannot accurately reproduce the global free-energy minimum which realizes the experimental protein structure. As a result, long MD trajectories tend to drift away from the starting coordinates (e.g., crystallographic structures). To address this problem, we have devised a new simulation strategy aimed at protein crystals. An MD simulation of protein crystal is essentially an ensemble simulation involving multiple protein molecules in a crystal unit cell (or a block of unit cells). To ensure that average protein coordinates remain correct during the simulation, we introduced crystallography-based restraints into the MD protocol. Because these restraints are aimed at the ensemble-average structure, they have only minimal impact on conformational dynamics of the individual protein molecules. So long as the average structure remains reasonable, the proteins move in a native-like fashion as dictated by the original force field. To validate this approach, we have used the data from solid-state NMR spectroscopy, which is the orthogonal experimental technique uniquely sensitive to protein local dynamics. The new method has been tested on the well-established model protein, ubiquitin. The ensemble-restrained MD simulations produced lower crystallographic R factors than conventional simulations; they also led to more accurate predictions for crystallographic temperature factors, solid-state chemical shifts, and backbone order parameters. The predictions for 15N R1 relaxation rates are at least as accurate as those obtained from conventional simulations. Taken together, these results suggest that the presented trajectories may be among the most realistic protein MD simulations ever reported. In this context, the ensemble restraints based on high-resolution crystallographic data can be viewed as protein-specific empirical corrections to the standard force fields. PMID:24452989

Constraining Future Sea Level Rise Estimates from the Amundsen Sea Embayment, West Antarctica

NASA Astrophysics Data System (ADS)

Nias, I.; Cornford, S. L.; Edwards, T.; Gourmelen, N.; Payne, A. J.

2016-12-01

The Amundsen Sea Embayment (ASE) is the primary source of mass loss from the West Antarctic Ice Sheet. The catchment is particularly susceptible to grounding line retreat, because the ice sheet is grounded on bedrock that is below sea level and deepening towards its interior. Mass loss from the ASE ice streams, which include Pine Island, Thwaites and Smith glaciers, is a major uncertainty on future sea level rise, and understanding the dynamics of these ice streams is essential to constraining this uncertainty. The aim of this study is to construct a distribution of future ASE sea level contributions from an ensemble of ice sheet model simulations and observations of surface elevation change. A 284 member ensemble was performed using BISICLES, a vertically-integrated ice flow model with adaptive mesh refinement. Within the ensemble parameters associated with basal traction, ice rheology and sub-shelf melt rate were perturbed, and the effect of bed topography and sliding law were also investigated. Initially each configuration was run to 50 model years. Satellite observations of surface height change were then used within a Bayesian framework to assign likelihoods to each ensemble member. Simulations that better reproduced the current thinning patterns across the catchment were given a higher score. The resulting posterior distribution of sea level contributions is narrower than the prior distribution, although the central estimates of sea level rise are similar between the prior and posterior. The most extreme simulations were eliminated and the remaining ensemble members were extended to 200 years, using a simple melt rate forcing.

How Well Do Global Climate Models Simulate the Variability of Atlantic Tropical Cyclones Associated with ENSO?

NASA Technical Reports Server (NTRS)

Wang, Hui; Long, Lindsey; Kumar, Arun; Wang, Wanqiu; Schemm, Jae-Kyung E.; Zhao, Ming; Vecchi, Gabriel A.; LaRow, Timorhy E.; Lim, Young-Kwon; Schubert, Siegfried D.;

A Global Carbon Assimilation System using a modified EnKF assimilation method

NASA Astrophysics Data System (ADS)

Zhang, S.; Zheng, X.; Chen, Z.; Dan, B.; Chen, J. M.; Yi, X.; Wang, L.; Wu, G.

2014-10-01

A Global Carbon Assimilation System based on Ensemble Kalman filter (GCAS-EK) is developed for assimilating atmospheric CO2 abundance data into an ecosystem model to simultaneously estimate the surface carbon fluxes and atmospheric CO2 distribution. This assimilation approach is based on the ensemble Kalman filter (EnKF), but with several new developments, including using analysis states to iteratively estimate ensemble forecast errors, and a maximum likelihood estimation of the inflation factors of the forecast and observation errors. The proposed assimilation approach is tested in observing system simulation experiments and then used to estimate the terrestrial ecosystem carbon fluxes and atmospheric CO2 distributions from 2002 to 2008. The results showed that this assimilation approach can effectively reduce the biases and uncertainties of the carbon fluxes simulated by the ecosystem model.

The Impact of the Atlantic Cold Tongue on West African Monsoon Onset in Regional Model Simulations for 1998-2002

NASA Technical Reports Server (NTRS)

Druyan, Leonard M.; Fulakeza, Matthew B.

2014-01-01

The Atlantic cold tongue (ACT) develops during spring and early summer near the Equator in the Eastern Atlantic Ocean and Gulf of Guinea. The hypothesis that the ACT accelerates the timing of West African monsoon (WAM) onset is tested by comparing two regional climate model (RM3) simulation ensembles. Observed sea surface temperatures (SST) that include the ACT are used to force a control ensemble. An idealized, warm SST perturbation is designed to represent lower boundary forcing without the ACT for the experiment ensemble. Summer simulations forced by observed SST and reanalysis boundary conditions for each of five consecutive years are compared to five parallel runs forced by SST with the warm perturbation. The article summarizes the sequence of events leading to the onset of the WAM in the Sahel region. The representation of WAM onset in RM3 simulations is examined and compared to Tropical Rainfall Measuring Mission (TRMM), Global Precipitation Climatology Project (GPCP) and reanalysis data. The study evaluates the sensitivity of WAM onset indicators to the presence of the ACT by analysing the differences between the two simulation ensembles. Results show that the timing of major rainfall events and therefore theWAM onset in the Sahel are not sensitive to the presence of the ACT. However, the warm SST perturbation does increase downstream rainfall rates over West Africa as a consequence of enhanced specific humidity and enhanced northward moisture flux in the lower troposphere.

The ensemble switch method for computing interfacial tensions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schmitz, Fabian; Virnau, Peter

2015-04-14

We present a systematic thermodynamic integration approach to compute interfacial tensions for solid-liquid interfaces, which is based on the ensemble switch method. Applying Monte Carlo simulations and finite-size scaling techniques, we obtain results for hard spheres, which are in agreement with previous computations. The case of solid-liquid interfaces in a variant of the effective Asakura-Oosawa model and of liquid-vapor interfaces in the Lennard-Jones model are discussed as well. We demonstrate that a thorough finite-size analysis of the simulation data is required to obtain precise results for the interfacial tension.

Visualization and classification of physiological failure modes in ensemble hemorrhage simulation

NASA Astrophysics Data System (ADS)

Zhang, Song; Pruett, William Andrew; Hester, Robert

2015-01-01

In an emergency situation such as hemorrhage, doctors need to predict which patients need immediate treatment and care. This task is difficult because of the diverse response to hemorrhage in human population. Ensemble physiological simulations provide a means to sample a diverse range of subjects and may have a better chance of containing the correct solution. However, to reveal the patterns and trends from the ensemble simulation is a challenging task. We have developed a visualization framework for ensemble physiological simulations. The visualization helps users identify trends among ensemble members, classify ensemble member into subpopulations for analysis, and provide prediction to future events by matching a new patient's data to existing ensembles. We demonstrated the effectiveness of the visualization on simulated physiological data. The lessons learned here can be applied to clinically-collected physiological data in the future.

Keno-21: Fundamental Issues in the Design of Geophysical Simulation Experiments and Resource Allocation in Climate Modelling

NASA Astrophysics Data System (ADS)

Smith, L. A.

2001-05-01

Many sources of uncertainty come into play when modelling geophysical systems by simulation. These include uncertainty in the initial condition, uncertainty in model parameter values (and the parameterisations themselves) and error in the model class from which the model(s) was selected. In recent decades, climate simulations have focused resources on reducing the last of these by including more and more details into the model. One can question when this ``kitchen sink'' approach should be complimented with realistic estimates of the impact from other uncertainties noted above. Indeed while the impact of model error can never be fully quantified, as all simulation experiments are interpreted a the rosy scenario which assumes a priori that nothing crucial is missing, the impact of other uncertainties can be quantified at only the cost of computational power; as illustrated, for example, in ensemble climate modelling experiments like Casino-21. This talk illustrates the interplay uncertainties in the context of a trivial nonlinear system and an ensemble of models. The simple systems considered in this small scale experiment, Keno-21, are meant to illustrate issues of experimental design; they are not intended to provide true climate simulations. The use of simulation models with huge numbers of parameters given limited data is usually justified by an appeal to the Laws of Physics: the number of free degrees-of-freedom are many fewer than the number of variables; both variables, parameterisations, and parameter values are constrained by ``the physics" and the resulting simulation yields a realistic reproduction of the entire planet's climate system to within reasonable bounds. But what bounds? exactly? In a single model run under transient forcing scenario, there are good statistical grounds for considering only large space and time averages; most of these reasons vanish if an ensemble of runs are made. Ensemble runs can quantify the (in)ability of a model to provide insight on regional changes: if a model cannot capture regional variations in the data on which the model was constructed (that is, in-sample) claims that out-of-sample predictions of those same regional averages should be used in policy making are vacuous. While motivated by climate modelling and illustrated on a trivial nonlinear system, these issues have implications across the range of geophysical modelling. These include implications for appropriate resource allocation, on the making of science policy, and on the public understanding of science and the role of uncertainty in decision making.

Mesoscale modeling of smoke transport from equatorial Southeast Asian Maritime Continent to the Philippines: First comparison of ensemble analysis with in situ observations

NASA Astrophysics Data System (ADS)

Ge, Cui; Wang, Jun; Reid, Jeffrey S.; Posselt, Derek J.; Xian, Peng; Hyer, Edward

2017-05-01

Atmospheric transport of smoke from equatorial Southeast Asian Maritime Continent (Indonesia, Singapore, and Malaysia) to the Philippines was recently verified by the first-ever measurement of aerosol composition in the region of the Sulu Sea from a research vessel named Vasco. However, numerical modeling of such transport can have large uncertainties due to the lack of observations for parameterization schemes and for describing fire emission and meteorology in this region. These uncertainties are analyzed here, for the first time, with an ensemble of 24 Weather Research and Forecasting model with Chemistry (WRF-Chem) simulations. The ensemble reproduces the time series of observed surface nonsea-salt PM2.5 concentrations observed from the Vasco vessel during 17-30 September 2011 and overall agrees with satellite (Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observation (CALIPSO) and Moderate Resolution Imaging Spectroradiometer (MODIS)) and Aerosol Robotic Network (AERONET) data. The difference of meteorology between National Centers for Environmental Prediction (NCEP's) Final (FNL) and European Center for Medium range Weather Forecasting (ECMWF's) ERA renders the biggest spread in the ensemble (up to 20 μg m-3 or 200% in surface PM2.5), with FNL showing systematically superior results. The second biggest uncertainty is from fire emissions; the 2 day maximum Fire Locating and Modelling of Burning Emissions (FLAMBE) emission is superior than the instantaneous one. While Grell-Devenyi (G3) and Betts-Miller-Janjić cumulus schemes only produce a difference of 3 μg m-3 of surface PM2.5 over the Sulu Sea, the ensemble mean agrees best with Climate Prediction Center (CPC) MORPHing (CMORPH)'s spatial distribution of precipitation. Simulation with FNL-G3, 2 day maximum FLAMBE, and 800 m injection height outperforms other ensemble members. Finally, the global transport model (Navy Aerosol Analysis and Prediction System (NAAPS)) outperforms all WRF-Chem simulations in describing smoke transport on 20 September 2011, suggesting the challenges to model tropical meteorology at mesoscale and finer scale.

Ensemble-sensitivity Analysis Based Observation Targeting for Mesoscale Convection Forecasts and Factors Influencing Observation-Impact Prediction

NASA Astrophysics Data System (ADS)

Hill, A.; Weiss, C.; Ancell, B. C.

2017-12-01

The basic premise of observation targeting is that additional observations, when gathered and assimilated with a numerical weather prediction (NWP) model, will produce a more accurate forecast related to a specific phenomenon. Ensemble-sensitivity analysis (ESA; Ancell and Hakim 2007; Torn and Hakim 2008) is a tool capable of accurately estimating the proper location of targeted observations in areas that have initial model uncertainty and large error growth, as well as predicting the reduction of forecast variance due to the assimilated observation. ESA relates an ensemble of NWP model forecasts, specifically an ensemble of scalar forecast metrics, linearly to earlier model states. A thorough investigation is presented to determine how different factors of the forecast process are impacting our ability to successfully target new observations for mesoscale convection forecasts. Our primary goals for this work are to determine: (1) If targeted observations hold more positive impact over non-targeted (i.e. randomly chosen) observations; (2) If there are lead-time constraints to targeting for convection; (3) How inflation, localization, and the assimilation filter influence impact prediction and realized results; (4) If there exist differences between targeted observations at the surface versus aloft; and (5) how physics errors and nonlinearity may augment observation impacts.Ten cases of dryline-initiated convection between 2011 to 2013 are simulated within a simplified OSSE framework and presented here. Ensemble simulations are produced from a cycling system that utilizes the Weather Research and Forecasting (WRF) model v3.8.1 within the Data Assimilation Research Testbed (DART). A "truth" (nature) simulation is produced by supplying a 3-km WRF run with GFS analyses and integrating the model forward 90 hours, from the beginning of ensemble initialization through the end of the forecast. Target locations for surface and radiosonde observations are computed 6, 12, and 18 hours into the forecast based on a chosen scalar forecast response metric (e.g., maximum reflectivity at convection initiation). A variety of experiments are designed to achieve the aforementioned goals and will be presented, along with their results, detailing the feasibility of targeting for mesoscale convection forecasts.

Crop Model Improvement Reduces the Uncertainty of the Response to Temperature of Multi-Model Ensembles

NASA Technical Reports Server (NTRS)

Maiorano, Andrea; Martre, Pierre; Asseng, Senthold; Ewert, Frank; Mueller, Christoph; Roetter, Reimund P.; Ruane, Alex C.; Semenov, Mikhail A.; Wallach, Daniel; Wang, Enli

2016-01-01

To improve climate change impact estimates and to quantify their uncertainty, multi-model ensembles (MMEs) have been suggested. Model improvements can improve the accuracy of simulations and reduce the uncertainty of climate change impact assessments. Furthermore, they can reduce the number of models needed in a MME. Herein, 15 wheat growth models of a larger MME were improved through re-parameterization and/or incorporating or modifying heat stress effects on phenology, leaf growth and senescence, biomass growth, and grain number and size using detailed field experimental data from the USDA Hot Serial Cereal experiment (calibration data set). Simulation results from before and after model improvement were then evaluated with independent field experiments from a CIMMYT worldwide field trial network (evaluation data set). Model improvements decreased the variation (10th to 90th model ensemble percentile range) of grain yields simulated by the MME on average by 39% in the calibration data set and by 26% in the independent evaluation data set for crops grown in mean seasonal temperatures greater than 24 C. MME mean squared error in simulating grain yield decreased by 37%. A reduction in MME uncertainty range by 27% increased MME prediction skills by 47%. Results suggest that the mean level of variation observed in field experiments and used as a benchmark can be reached with half the number of models in the MME. Improving crop models is therefore important to increase the certainty of model-based impact assessments and allow more practical, i.e. smaller MMEs to be used effectively.

Projections of Future Precipitation Extremes Over Europe: A Multimodel Assessment of Climate Simulations

NASA Astrophysics Data System (ADS)

Rajczak, Jan; Schär, Christoph

2017-10-01

Projections of precipitation and its extremes over the European continent are analyzed in an extensive multimodel ensemble of 12 and 50 km resolution EURO-CORDEX Regional Climate Models (RCMs) forced by RCP2.6, RCP4.5, and RCP8.5 (Representative Concentration Pathway) aerosol and greenhouse gas emission scenarios. A systematic intercomparison with ENSEMBLES RCMs is carried out, such that in total information is provided for an unprecedentedly large data set of 100 RCM simulations. An evaluation finds very reasonable skill for the EURO-CORDEX models in simulating temporal and geographical variations of (mean and heavy) precipitation at both horizontal resolutions. Heavy and extreme precipitation events are projected to intensify across most of Europe throughout the whole year. All considered models agree on a distinct intensification of extremes by often more than +20% in winter and fall and over central and northern Europe. A reduction of rainy days and mean precipitation in summer is simulated by a large majority of models in the Mediterranean area, but intermodel spread between the simulations is large. In central Europe and France during summer, models project decreases in precipitation but more intense heavy and extreme rainfalls. Comparison to previous RCM projections from ENSEMBLES reveals consistency but slight differences in summer, where reductions in southern European precipitation are not as pronounced as previously projected. The projected changes of the European hydrological cycle may have substantial impact on environmental and anthropogenic systems. In particular, the simulations indicate a rising probability of summertime drought in southern Europe and more frequent and intense heavy rainfall across all of Europe.

Ensemble data assimilation in the Red Sea: sensitivity to ensemble selection and atmospheric forcing

NASA Astrophysics Data System (ADS)

Toye, Habib; Zhan, Peng; Gopalakrishnan, Ganesh; Kartadikaria, Aditya R.; Huang, Huang; Knio, Omar; Hoteit, Ibrahim

2017-07-01

We present our efforts to build an ensemble data assimilation and forecasting system for the Red Sea. The system consists of the high-resolution Massachusetts Institute of Technology general circulation model (MITgcm) to simulate ocean circulation and of the Data Research Testbed (DART) for ensemble data assimilation. DART has been configured to integrate all members of an ensemble adjustment Kalman filter (EAKF) in parallel, based on which we adapted the ensemble operations in DART to use an invariant ensemble, i.e., an ensemble Optimal Interpolation (EnOI) algorithm. This approach requires only single forward model integration in the forecast step and therefore saves substantial computational cost. To deal with the strong seasonal variability of the Red Sea, the EnOI ensemble is then seasonally selected from a climatology of long-term model outputs. Observations of remote sensing sea surface height (SSH) and sea surface temperature (SST) are assimilated every 3 days. Real-time atmospheric fields from the National Center for Environmental Prediction (NCEP) and the European Center for Medium-Range Weather Forecasts (ECMWF) are used as forcing in different assimilation experiments. We investigate the behaviors of the EAKF and (seasonal-) EnOI and compare their performances for assimilating and forecasting the circulation of the Red Sea. We further assess the sensitivity of the assimilation system to various filtering parameters (ensemble size, inflation) and atmospheric forcing.

Vapor-liquid phase equilibria of water modelled by a Kim-Gordon potential

DOE Office of Scientific and Technical Information (OSTI.GOV)

Maerzke, K A; McGrath, M J; Kuo, I W

2009-03-16

Gibbs ensemble Monte Carlo simulations were carried out to investigate the properties of a frozen-electron-density (or Kim-Gordon, KG) model of water along the vapor-liquid coexistence curve. Because of its theoretical basis, such a KG model provides for seamless coupling to Kohn-Sham density functional theory for use in mixed quantum mechanics/molecular mechanics (QM/MM) implementations. The Gibbs ensemble simulations indicate rather limited transferability of such a simple KG model to other state points. Specifically, a KG model that was parameterized by Barker and Sprik to the properties of liquid water at 300 K, yields saturated vapor pressures and a critical temperature thatmore » are significantly under- and over-estimated, respectively.« less

Transferability of optimally-selected climate models in the quantification of climate change impacts on hydrology

NASA Astrophysics Data System (ADS)

Chen, Jie; Brissette, François P.; Lucas-Picher, Philippe

2016-11-01

Given the ever increasing number of climate change simulations being carried out, it has become impractical to use all of them to cover the uncertainty of climate change impacts. Various methods have been proposed to optimally select subsets of a large ensemble of climate simulations for impact studies. However, the behaviour of optimally-selected subsets of climate simulations for climate change impacts is unknown, since the transfer process from climate projections to the impact study world is usually highly non-linear. Consequently, this study investigates the transferability of optimally-selected subsets of climate simulations in the case of hydrological impacts. Two different methods were used for the optimal selection of subsets of climate scenarios, and both were found to be capable of adequately representing the spread of selected climate model variables contained in the original large ensemble. However, in both cases, the optimal subsets had limited transferability to hydrological impacts. To capture a similar variability in the impact model world, many more simulations have to be used than those that are needed to simply cover variability from the climate model variables' perspective. Overall, both optimal subset selection methods were better than random selection when small subsets were selected from a large ensemble for impact studies. However, as the number of selected simulations increased, random selection often performed better than the two optimal methods. To ensure adequate uncertainty coverage, the results of this study imply that selecting as many climate change simulations as possible is the best avenue. Where this was not possible, the two optimal methods were found to perform adequately.

Signal to noise quantification of regional climate projections

NASA Astrophysics Data System (ADS)

Li, S.; Rupp, D. E.; Mote, P.

2016-12-01

One of the biggest challenges in interpreting climate model outputs for impacts studies and adaptation planning is understanding the sources of disagreement among models (which is often used imperfectly as a stand-in for system uncertainty). Internal variability is a primary source of uncertainty in climate projections, especially for precipitation, for which models disagree about even the sign of changes in large areas like the continental US. Taking advantage of a large initial-condition ensemble of regional climate simulations, this study quantifies the magnitude of changes forced by increasing greenhouse gas concentrations relative to internal variability. Results come from a large initial-condition ensemble of regional climate model simulations generated by weather@home, a citizen science computing platform, where the western United States climate was simulated for the recent past (1985-2014) and future (2030-2059) using a 25-km horizontal resolution regional climate model (HadRM3P) nested in global atmospheric model (HadAM3P). We quantify grid point level signal-to-noise not just in temperature and precipitation responses, but also the energy and moisture flux terms that are related to temperature and precipitation responses, to provide important insights regarding uncertainty in climate change projections at local and regional scales. These results will aid modelers in determining appropriate ensemble sizes for different climate variables and help users of climate model output with interpreting climate model projections.

Cell population modelling of yeast glycolytic oscillations.

PubMed Central

Henson, Michael A; Müller, Dirk; Reuss, Matthias

2002-01-01

We investigated a cell-population modelling technique in which the population is constructed from an ensemble of individual cell models. The average value or the number distribution of any intracellular property captured by the individual cell model can be calculated by simulation of a sufficient number of individual cells. The proposed method is applied to a simple model of yeast glycolytic oscillations where synchronization of the cell population is mediated by the action of an excreted metabolite. We show that smooth one-dimensional distributions can be obtained with ensembles comprising 1000 individual cells. Random variations in the state and/or structure of individual cells are shown to produce complex dynamic behaviours which cannot be adequately captured by small ensembles. PMID:12206713

Grand canonical ensemble Monte Carlo simulation of the dCpG/proflavine crystal hydrate.

PubMed Central

Resat, H; Mezei, M

1996-01-01

The grand canonical ensemble Monte Carlo molecular simulation method is used to investigate hydration patterns in the crystal hydrate structure of the dCpG/proflavine intercalated complex. The objective of this study is to show by example that the recently advocated grand canonical ensemble simulation is a computationally efficient method for determining the positions of the hydrating water molecules in protein and nucleic acid structures. A detailed molecular simulation convergence analysis and an analogous comparison of the theoretical results with experiments clearly show that the grand ensemble simulations can be far more advantageous than the comparable canonical ensemble simulations. Images FIGURE 5 FIGURE 7 PMID:8873992

Coupling Visualization, Simulation, and Deep Learning for Ensemble Steering of Complex Energy Models: Preprint

DOE Office of Scientific and Technical Information (OSTI.GOV)

Potter, Kristin C; Brunhart-Lupo, Nicholas J; Bush, Brian W

We have developed a framework for the exploration, design, and planning of energy systems that combines interactive visualization with machine-learning based approximations of simulations through a general purpose dataflow API. Our system provides a visual inter- face allowing users to explore an ensemble of energy simulations representing a subset of the complex input parameter space, and spawn new simulations to 'fill in' input regions corresponding to new enegery system scenarios. Unfortunately, many energy simula- tions are far too slow to provide interactive responses. To support interactive feedback, we are developing reduced-form models via machine learning techniques, which provide statistically soundmore » esti- mates of the full simulations at a fraction of the computational cost and which are used as proxies for the full-form models. Fast com- putation and an agile dataflow enhance the engagement with energy simulations, and allow researchers to better allocate computational resources to capture informative relationships within the system and provide a low-cost method for validating and quality-checking large-scale modeling efforts.« less

Modelling dynamics in protein crystal structures by ensemble refinement

PubMed Central

Burnley, B Tom; Afonine, Pavel V; Adams, Paul D; Gros, Piet

2012-01-01

Single-structure models derived from X-ray data do not adequately account for the inherent, functionally important dynamics of protein molecules. We generated ensembles of structures by time-averaged refinement, where local molecular vibrations were sampled by molecular-dynamics (MD) simulation whilst global disorder was partitioned into an underlying overall translation–libration–screw (TLS) model. Modeling of 20 protein datasets at 1.1–3.1 Å resolution reduced cross-validated Rfree values by 0.3–4.9%, indicating that ensemble models fit the X-ray data better than single structures. The ensembles revealed that, while most proteins display a well-ordered core, some proteins exhibit a ‘molten core’ likely supporting functionally important dynamics in ligand binding, enzyme activity and protomer assembly. Order–disorder changes in HIV protease indicate a mechanism of entropy compensation for ordering the catalytic residues upon ligand binding by disordering specific core residues. Thus, ensemble refinement extracts dynamical details from the X-ray data that allow a more comprehensive understanding of structure–dynamics–function relationships. DOI: http://dx.doi.org/10.7554/eLife.00311.001 PMID:23251785

Nine time steps: ultra-fast statistical consistency testing of the Community Earth System Model (pyCECT v3.0)

NASA Astrophysics Data System (ADS)

Milroy, Daniel J.; Baker, Allison H.; Hammerling, Dorit M.; Jessup, Elizabeth R.

2018-02-01

The Community Earth System Model Ensemble Consistency Test (CESM-ECT) suite was developed as an alternative to requiring bitwise identical output for quality assurance. This objective test provides a statistical measurement of consistency between an accepted ensemble created by small initial temperature perturbations and a test set of CESM simulations. In this work, we extend the CESM-ECT suite with an inexpensive and robust test for ensemble consistency that is applied to Community Atmospheric Model (CAM) output after only nine model time steps. We demonstrate that adequate ensemble variability is achieved with instantaneous variable values at the ninth step, despite rapid perturbation growth and heterogeneous variable spread. We refer to this new test as the Ultra-Fast CAM Ensemble Consistency Test (UF-CAM-ECT) and demonstrate its effectiveness in practice, including its ability to detect small-scale events and its applicability to the Community Land Model (CLM). The new ultra-fast test facilitates CESM development, porting, and optimization efforts, particularly when used to complement information from the original CESM-ECT suite of tools.

Reduction of predictive uncertainty in estimating irrigation water requirement through multi-model ensembles and ensemble averaging

NASA Astrophysics Data System (ADS)

Multsch, S.; Exbrayat, J.-F.; Kirby, M.; Viney, N. R.; Frede, H.-G.; Breuer, L.

2015-04-01

Irrigation agriculture plays an increasingly important role in food supply. Many evapotranspiration models are used today to estimate the water demand for irrigation. They consider different stages of crop growth by empirical crop coefficients to adapt evapotranspiration throughout the vegetation period. We investigate the importance of the model structural versus model parametric uncertainty for irrigation simulations by considering six evapotranspiration models and five crop coefficient sets to estimate irrigation water requirements for growing wheat in the Murray-Darling Basin, Australia. The study is carried out using the spatial decision support system SPARE:WATER. We find that structural model uncertainty among reference ET is far more important than model parametric uncertainty introduced by crop coefficients. These crop coefficients are used to estimate irrigation water requirement following the single crop coefficient approach. Using the reliability ensemble averaging (REA) technique, we are able to reduce the overall predictive model uncertainty by more than 10%. The exceedance probability curve of irrigation water requirements shows that a certain threshold, e.g. an irrigation water limit due to water right of 400 mm, would be less frequently exceeded in case of the REA ensemble average (45%) in comparison to the equally weighted ensemble average (66%). We conclude that multi-model ensemble predictions and sophisticated model averaging techniques are helpful in predicting irrigation demand and provide relevant information for decision making.

Impacts of using an ensemble Kalman filter on air quality simulations along the California-Mexico border region during Cal-Mex 2010 field campaign.

PubMed

Bei, Naifang; Li, Guohui; Meng, Zhiyong; Weng, Yonghui; Zavala, Miguel; Molina, L T

2014-11-15

The purpose of this study is to investigate the impact of using an ensemble Kalman filter (EnKF) on air quality simulations in the California-Mexico border region on two days (May 30 and June 04, 2010) during Cal-Mex 2010. The uncertainties in ozone (O3) and aerosol simulations in the border area due to the meteorological initial uncertainties were examined through ensemble simulations. The ensemble spread of surface O3 averaged over the coastal region was less than 10ppb. The spreads in the nitrate and ammonium aerosols are substantial on both days, mostly caused by the large uncertainties in the surface temperature and humidity simulations. In general, the forecast initialized with the EnKF analysis (EnKF) improved the simulation of meteorological fields to some degree in the border region compared to the reference forecast initialized with NCEP analysis data (FCST) and the simulation with observation nudging (FDDA), which in turn leading to reasonable air quality simulations. The simulated surface O3 distributions by EnKF were consistently better than FCST and FDDA on both days. EnKF usually produced more reasonable simulations of nitrate and ammonium aerosols compared to the observations, but still have difficulties in improving the simulations of organic and sulfate aerosols. However, discrepancies between the EnKF simulations and the measurements were still considerably large, particularly for sulfate and organic aerosols, indicating that there are still ample rooms for improvement in the present data assimilation and/or the modeling systems. Copyright © 2014 Elsevier B.V. All rights reserved.

The interplay between cooperativity and diversity in model threshold ensembles.

PubMed

Cervera, Javier; Manzanares, José A; Mafe, Salvador

2014-10-06

The interplay between cooperativity and diversity is crucial for biological ensembles because single molecule experiments show a significant degree of heterogeneity and also for artificial nanostructures because of the high individual variability characteristic of nanoscale units. We study the cross-effects between cooperativity and diversity in model threshold ensembles composed of individually different units that show a cooperative behaviour. The units are modelled as statistical distributions of parameters (the individual threshold potentials here) characterized by central and width distribution values. The simulations show that the interplay between cooperativity and diversity results in ensemble-averaged responses of interest for the understanding of electrical transduction in cell membranes, the experimental characterization of heterogeneous groups of biomolecules and the development of biologically inspired engineering designs with individually different building blocks. © 2014 The Author(s) Published by the Royal Society. All rights reserved.

The Role of Ocean and Atmospheric Heat Transport in the Arctic Amplification

NASA Astrophysics Data System (ADS)

Vargas Martes, R. M.; Kwon, Y. O.; Furey, H. H.

2017-12-01

Observational data and climate model projections have suggested that the Arctic region is warming around twice faster than the rest of the globe, which has been referred as the Arctic Amplification (AA). While the local feedbacks, e.g. sea ice-albedo feedback, are often suggested as the primary driver of AA by previous studies, the role of meridional heat transport by ocean and atmosphere is less clear. This study uses the Community Earth System Model version 1 Large Ensemble simulation (CESM1-LE) to seek deeper understanding of the role meridional oceanic and atmospheric heat transports play in AA. The simulation consists of 40 ensemble members with the same physics and external forcing using a single fully coupled climate model. Each ensemble member spans two time periods; the historical period from 1920 to 2005 using the Coupled Model Intercomparison Project Phase 5 (CMIP5) historical forcing and the future period from 2006 to 2100 using the CMIP5 Representative Concentration Pathways 8.5 (RCP8.5) scenario. Each of the ensemble members are initialized with slightly different air temperatures. As the CESM1-LE uses a single model unlike the CMIP5 multi-model ensemble, the internal variability and the externally forced components can be separated more clearly. The projections are calculated by comparing the period 2081-2100 relative to the time period 2001-2020. The CESM1-LE projects an AA of 2.5-2.8 times faster than the global average, which is within the range of those from the CMIP5 multi-model ensemble. However, the spread of AA from the CESM1-LE, which is attributed to the internal variability, is 2-3 times smaller than that of the CMIP5 ensemble, which may also include the inter-model differences. CESM1LE projects a decrease in the atmospheric heat transport into the Arctic and an increase in the oceanic heat transport. The atmospheric heat transport is further decomposed into moisture transport and dry static energy transport. Also, the oceanic heat transport is decomposed into the Pacific and Atlantic contributions.

Generation of Quality Pulses for Control of Qubit/Quantum Memory Spin States: Experimental and Simulation

DTIC Science & Technology

2016-09-01

magnetic and nuclear spins of an entangled ensemble or of single spins or photons . These quantum states can be controlled by resonant microwave...3 3.1 SIMULATION MODEL USING MATLAB /SIMULINK...4 3.1 SIMULATION MODEL USING MATLAB ®/SIMULINK Figure 7 presents the Simulink simulation example of I/Q modulation followed by a switch

Quantifying radar-rainfall uncertainties in urban drainage flow modelling

NASA Astrophysics Data System (ADS)

Rico-Ramirez, M. A.; Liguori, S.; Schellart, A. N. A.

2015-09-01

This work presents the results of the implementation of a probabilistic system to model the uncertainty associated to radar rainfall (RR) estimates and the way this uncertainty propagates through the sewer system of an urban area located in the North of England. The spatial and temporal correlations of the RR errors as well as the error covariance matrix were computed to build a RR error model able to generate RR ensembles that reproduce the uncertainty associated with the measured rainfall. The results showed that the RR ensembles provide important information about the uncertainty in the rainfall measurement that can be propagated in the urban sewer system. The results showed that the measured flow peaks and flow volumes are often bounded within the uncertainty area produced by the RR ensembles. In 55% of the simulated events, the uncertainties in RR measurements can explain the uncertainties observed in the simulated flow volumes. However, there are also some events where the RR uncertainty cannot explain the whole uncertainty observed in the simulated flow volumes indicating that there are additional sources of uncertainty that must be considered such as the uncertainty in the urban drainage model structure, the uncertainty in the urban drainage model calibrated parameters, and the uncertainty in the measured sewer flows.

Rainfall runoff modelling of the Upper Ganga and Brahmaputra basins using PERSiST.

PubMed

Futter, M N; Whitehead, P G; Sarkar, S; Rodda, H; Crossman, J

2015-06-01

There are ongoing discussions about the appropriate level of complexity and sources of uncertainty in rainfall runoff models. Simulations for operational hydrology, flood forecasting or nutrient transport all warrant different levels of complexity in the modelling approach. More complex model structures are appropriate for simulations of land-cover dependent nutrient transport while more parsimonious model structures may be adequate for runoff simulation. The appropriate level of complexity is also dependent on data availability. Here, we use PERSiST; a simple, semi-distributed dynamic rainfall-runoff modelling toolkit to simulate flows in the Upper Ganges and Brahmaputra rivers. We present two sets of simulations driven by single time series of daily precipitation and temperature using simple (A) and complex (B) model structures based on uniform and hydrochemically relevant land covers respectively. Models were compared based on ensembles of Bayesian Information Criterion (BIC) statistics. Equifinality was observed for parameters but not for model structures. Model performance was better for the more complex (B) structural representations than for parsimonious model structures. The results show that structural uncertainty is more important than parameter uncertainty. The ensembles of BIC statistics suggested that neither structural representation was preferable in a statistical sense. Simulations presented here confirm that relatively simple models with limited data requirements can be used to credibly simulate flows and water balance components needed for nutrient flux modelling in large, data-poor basins.

Using a Gaussian Process Emulator for Data-driven Surrogate Modelling of a Complex Urban Drainage Simulator

NASA Astrophysics Data System (ADS)

Bellos, V.; Mahmoodian, M.; Leopold, U.; Torres-Matallana, J. A.; Schutz, G.; Clemens, F.

2017-12-01

Surrogate models help to decrease the run-time of computationally expensive, detailed models. Recent studies show that Gaussian Process Emulators (GPE) are promising techniques in the field of urban drainage modelling. However, this study focusses on developing a GPE-based surrogate model for later application in Real Time Control (RTC) using input and output time series of a complex simulator. The case study is an urban drainage catchment in Luxembourg. A detailed simulator, implemented in InfoWorks ICM, is used to generate 120 input-output ensembles, from which, 100 are used for training the emulator and 20 for validation of the results. An ensemble of historical rainfall events with 2 hours duration and 10 minutes time steps are considered as the input data. Two example outputs, are selected as wastewater volume and total COD concentration in a storage tank in the network. The results of the emulator are tested with unseen random rainfall events from the ensemble dataset. The emulator is approximately 1000 times faster than the original simulator for this small case study. Whereas the overall patterns of the simulator are matched by the emulator, in some cases the emulator deviates from the simulator. To quantify the accuracy of the emulator in comparison with the original simulator, Nash-Sutcliffe efficiency (NSE) between the emulator and simulator is calculated for unseen rainfall scenarios. The range of NSE for the case of tank volume is from 0.88 to 0.99 with a mean value of 0.95, whereas for COD is from 0.71 to 0.99 with a mean value of 0.92. The emulator is able to predict the tank volume with higher accuracy as the relationship between rainfall intensity and tank volume is linear. For COD, which has a non-linear behaviour, the predictions are less accurate and more uncertain, in particular when rainfall intensity increases. This predictions were improved by including a larger amount of training data for the higher rainfall intensities. It was observed that, the accuracy of the emulator predictions depends on the ensemble training dataset design and the amount of data fed. Finally, more investigation is required to test the possibility of applying this type of fast emulators for model-based RTC applications in which limited number of inputs and outputs are considered in a short prediction horizon.

Internal variability of a dynamically downscaled climate over North America

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Jiali; Bessac, Julie; Kotamarthi, Rao

This study investigates the internal variability (IV) of a regional climate model, and considers the impacts of horizontal resolution and spectral nudging on the IV. A 16-member simulation ensemble was conducted using the Weather Research Forecasting model for three model configurations. Ensemble members included simulations at spatial resolutions of 50 and 12 km without spectral nudging and simulations at a spatial resolution of 12 km with spectral nudging. All the simulations were generated over the same domain, which covered much of North America. The degree of IV was measured as the spread between the individual members of the ensemble duringmore » the integration period. The IV of the 12 km simulation with spectral nudging was also compared with a future climate change simulation projected by the same model configuration. The variables investigated focus on precipitation and near-surface air temperature. While the IVs show a clear annual cycle with larger values in summer and smaller values in winter, the seasonal IV is smaller for a 50-km spatial resolution than for a 12-km resolution when nudging is not applied. Applying a nudging technique to the 12-km simulation reduces the IV by a factor of two, and produces smaller IV than the simulation at 50 km without nudging. Applying a nudging technique also changes the geographic distributions of IV in all examined variables. The IV is much smaller than the inter-annual variability at seasonal scales for regionally averaged temperature and precipitation. The IV is also smaller than the projected changes in air-temperature for the mid- and late twenty-first century. However, the IV is larger than the projected changes in precipitation for the mid- and late twenty-first century.« less

Internal variability of a dynamically downscaled climate over North America

NASA Astrophysics Data System (ADS)

Wang, Jiali; Bessac, Julie; Kotamarthi, Rao; Constantinescu, Emil; Drewniak, Beth

2018-06-01

This study investigates the internal variability (IV) of a regional climate model, and considers the impacts of horizontal resolution and spectral nudging on the IV. A 16-member simulation ensemble was conducted using the Weather Research Forecasting model for three model configurations. Ensemble members included simulations at spatial resolutions of 50 and 12 km without spectral nudging and simulations at a spatial resolution of 12 km with spectral nudging. All the simulations were generated over the same domain, which covered much of North America. The degree of IV was measured as the spread between the individual members of the ensemble during the integration period. The IV of the 12 km simulation with spectral nudging was also compared with a future climate change simulation projected by the same model configuration. The variables investigated focus on precipitation and near-surface air temperature. While the IVs show a clear annual cycle with larger values in summer and smaller values in winter, the seasonal IV is smaller for a 50-km spatial resolution than for a 12-km resolution when nudging is not applied. Applying a nudging technique to the 12-km simulation reduces the IV by a factor of two, and produces smaller IV than the simulation at 50 km without nudging. Applying a nudging technique also changes the geographic distributions of IV in all examined variables. The IV is much smaller than the inter-annual variability at seasonal scales for regionally averaged temperature and precipitation. The IV is also smaller than the projected changes in air-temperature for the mid- and late twenty-first century. However, the IV is larger than the projected changes in precipitation for the mid- and late twenty-first century.

Internal variability of a dynamically downscaled climate over North America

NASA Astrophysics Data System (ADS)

Wang, Jiali; Bessac, Julie; Kotamarthi, Rao; Constantinescu, Emil; Drewniak, Beth

2017-09-01

This study investigates the internal variability (IV) of a regional climate model, and considers the impacts of horizontal resolution and spectral nudging on the IV. A 16-member simulation ensemble was conducted using the Weather Research Forecasting model for three model configurations. Ensemble members included simulations at spatial resolutions of 50 and 12 km without spectral nudging and simulations at a spatial resolution of 12 km with spectral nudging. All the simulations were generated over the same domain, which covered much of North America. The degree of IV was measured as the spread between the individual members of the ensemble during the integration period. The IV of the 12 km simulation with spectral nudging was also compared with a future climate change simulation projected by the same model configuration. The variables investigated focus on precipitation and near-surface air temperature. While the IVs show a clear annual cycle with larger values in summer and smaller values in winter, the seasonal IV is smaller for a 50-km spatial resolution than for a 12-km resolution when nudging is not applied. Applying a nudging technique to the 12-km simulation reduces the IV by a factor of two, and produces smaller IV than the simulation at 50 km without nudging. Applying a nudging technique also changes the geographic distributions of IV in all examined variables. The IV is much smaller than the inter-annual variability at seasonal scales for regionally averaged temperature and precipitation. The IV is also smaller than the projected changes in air-temperature for the mid- and late twenty-first century. However, the IV is larger than the projected changes in precipitation for the mid- and late twenty-first century.

The effects of greenhouse gases on the Antarctic ozone hole in the past, present, and future

NASA Astrophysics Data System (ADS)

Newman, P. A.; Li, F.; Lait, L. R.; Oman, L.

2017-12-01

The Antarctic ozone hole is primarily caused by human-produced ozone depleting substances such as chlorine-containing chlorofluorocarbons (CFCs) and bromine-containing halons. The large ozone spring-time depletion relies on the very-cold conditions of the Antarctic lower stratosphere, and the general containment of air by the polar night jet over Antarctica. Here we show the Goddard Earth Observing System Chemistry Climate Model (GEOSCCM) coupled ocean-atmosphere-chemistry model for exploring the impact of increasing greenhouse gases (GHGs). Model simulations covering the 1960-2010 period are shown for: 1) a control ensemble with observed levels of ODSs and GHGs, 2) an ensemble with fixed 1960 GHG concentrations, and 3) an ensemble with fixed 1960 ODS levels. We look at a similar set of simulations (control, 2005 fixed GHG levels, and 2005 fixed ODS levels) with a new version of GEOSCCM over the period 2005-2100. These future simulations show that the decrease of ODSs leads to similar ozone recovery for both the control run and the fixed GHG scenarios, in spite of GHG forced changes to stratospheric ozone levels. These simulations demonstrate that GHG levels will have major impacts on the stratosphere by 2100, but have only small impacts on the Antarctic ozone hole.

Impact of climate change on hydrological conditions in a tropical West African catchment using an ensemble of climate simulations

NASA Astrophysics Data System (ADS)

Yira, Yacouba; Diekkrüger, Bernd; Steup, Gero; Yaovi Bossa, Aymar

2017-04-01

This study evaluates climate change impacts on water resources using an ensemble of six regional climate models (RCMs)-global climate models (GCMs) in the Dano catchment (Burkina Faso). The applied climate datasets were performed in the framework of the COordinated Regional climate Downscaling Experiment (CORDEX-Africa) project.

After evaluation of the historical runs of the climate models' ensemble, a statistical bias correction (empirical quantile mapping) was applied to daily precipitation. Temperature and bias corrected precipitation data from the ensemble of RCMs-GCMs was then used as input for the Water flow and balance Simulation Model (WaSiM) to simulate water balance components.

The mean hydrological and climate variables for two periods (1971-2000 and 2021-2050) were compared to assess the potential impact of climate change on water resources up to the middle of the 21st century under two greenhouse gas concentration scenarios, the Representative Concentration Pathways (RCPs) 4.5 and 8.5. The results indicate (i) a clear signal of temperature increase of about 0.1 to 2.6 °C for all members of the RCM-GCM ensemble; (ii) high uncertainty about how the catchment precipitation will evolve over the period 2021-2050; (iii) the applied bias correction method only affected the magnitude of the climate change signal; (iv) individual climate models results lead to opposite discharge change signals; and (v) the results for the RCM-GCM ensemble are too uncertain to give any clear direction for future hydrological development. Therefore, potential increase and decrease in future discharge have to be considered in climate change adaptation strategies in the catchment. The results further underline on the one hand the need for a larger ensemble of projections to properly estimate the impacts of climate change on water resources in the catchment and on the other hand the high uncertainty associated with climate projections for the West African region. A water-energy budget analysis provides further insight into the behavior of the catchment.

Data assimilation for groundwater flow modelling using Unbiased Ensemble Square Root Filter: Case study in Guantao, North China Plain

NASA Astrophysics Data System (ADS)

Li, N.; Kinzelbach, W.; Li, H.; Li, W.; Chen, F.; Wang, L.

2017-12-01

Data assimilation techniques are widely used in hydrology to improve the reliability of hydrological models and to reduce model predictive uncertainties. This provides critical information for decision makers in water resources management. This study aims to evaluate a data assimilation system for the Guantao groundwater flow model coupled with a one-dimensional soil column simulation (Hydrus 1D) using an Unbiased Ensemble Square Root Filter (UnEnSRF) originating from the Ensemble Kalman Filter (EnKF) to update parameters and states, separately or simultaneously. To simplify the coupling between unsaturated and saturated zone, a linear relationship obtained from analyzing inputs to and outputs from Hydrus 1D is applied in the data assimilation process. Unlike EnKF, the UnEnSRF updates parameter ensemble mean and ensemble perturbations separately. In order to keep the ensemble filter working well during the data assimilation, two factors are introduced in the study. One is called damping factor to dampen the update amplitude of the posterior ensemble mean to avoid nonrealistic values. The other is called inflation factor to relax the posterior ensemble perturbations close to prior to avoid filter inbreeding problems. The sensitivities of the two factors are studied and their favorable values for the Guantao model are determined. The appropriate observation error and ensemble size were also determined to facilitate the further analysis. This study demonstrated that the data assimilation of both model parameters and states gives a smaller model prediction error but with larger uncertainty while the data assimilation of only model states provides a smaller predictive uncertainty but with a larger model prediction error. Data assimilation in a groundwater flow model will improve model prediction and at the same time make the model converge to the true parameters, which provides a successful base for applications in real time modelling or real time controlling strategies in groundwater resources management.

Land-total and Ocean-total Precipitation and Evaporation from a Community Atmosphere Model version 5 Perturbed Parameter Ensemble

DOE Office of Scientific and Technical Information (OSTI.GOV)

Covey, Curt; Lucas, Donald D.; Trenberth, Kevin E.

2016-03-02

This document presents the large scale water budget statistics of a perturbed input-parameter ensemble of atmospheric model runs. The model is Version 5.1.02 of the Community Atmosphere Model (CAM). These runs are the “C-Ensemble” described by Qian et al., “Parametric Sensitivity Analysis of Precipitation at Global and Local Scales in the Community Atmosphere Model CAM5” (Journal of Advances in Modeling the Earth System, 2015). As noted by Qian et al., the simulations are “AMIP type” with temperature and sea ice boundary conditions chosen to match surface observations for the five year period 2000-2004. There are 1100 ensemble members in additionmore » to one run with default inputparameter values.« less

Ensembles vs. information theory: supporting science under uncertainty

NASA Astrophysics Data System (ADS)

Nearing, Grey S.; Gupta, Hoshin V.

2018-05-01

Multi-model ensembles are one of the most common ways to deal with epistemic uncertainty in hydrology. This is a problem because there is no known way to sample models such that the resulting ensemble admits a measure that has any systematic (i.e., asymptotic, bounded, or consistent) relationship with uncertainty. Multi-model ensembles are effectively sensitivity analyses and cannot - even partially - quantify uncertainty. One consequence of this is that multi-model approaches cannot support a consistent scientific method - in particular, multi-model approaches yield unbounded errors in inference. In contrast, information theory supports a coherent hypothesis test that is robust to (i.e., bounded under) arbitrary epistemic uncertainty. This paper may be understood as advocating a procedure for hypothesis testing that does not require quantifying uncertainty, but is coherent and reliable (i.e., bounded) in the presence of arbitrary (unknown and unknowable) uncertainty. We conclude by offering some suggestions about how this proposed philosophy of science suggests new ways to conceptualize and construct simulation models of complex, dynamical systems.

Gibbs Ensemble Simulations of the Solvent Swelling of Polymer Films

NASA Astrophysics Data System (ADS)

Gartner, Thomas; Epps, Thomas, III; Jayaraman, Arthi

Solvent vapor annealing (SVA) is a useful technique to tune the morphology of block polymer, polymer blend, and polymer nanocomposite films. Despite SVA's utility, standardized SVA protocols have not been established, partly due to a lack of fundamental knowledge regarding the interplay between the polymer(s), solvent, substrate, and free-surface during solvent annealing and evaporation. An understanding of how to tune polymer film properties in a controllable manner through SVA processes is needed. Herein, the thermodynamic implications of the presence of solvent in the swollen polymer film is explored through two alternative Gibbs ensemble simulation methods that we have developed and extended: Gibbs ensemble molecular dynamics (GEMD) and hybrid Monte Carlo (MC)/molecular dynamics (MD). In this poster, we will describe these simulation methods and demonstrate their application to polystyrene films swollen by toluene and n-hexane. Polymer film swelling experiments, Gibbs ensemble molecular simulations, and polymer reference interaction site model (PRISM) theory are combined to calculate an effective Flory-Huggins χ (χeff) for polymer-solvent mixtures. The effects of solvent chemistry, solvent content, polymer molecular weight, and polymer architecture on χeff are examined, providing a platform to control and understand the thermodynamics of polymer film swelling.

An ensemble of dynamic neural network identifiers for fault detection and isolation of gas turbine engines.

PubMed

Amozegar, M; Khorasani, K

2016-04-01

In this paper, a new approach for Fault Detection and Isolation (FDI) of gas turbine engines is proposed by developing an ensemble of dynamic neural network identifiers. For health monitoring of the gas turbine engine, its dynamics is first identified by constructing three separate or individual dynamic neural network architectures. Specifically, a dynamic multi-layer perceptron (MLP), a dynamic radial-basis function (RBF) neural network, and a dynamic support vector machine (SVM) are trained to individually identify and represent the gas turbine engine dynamics. Next, three ensemble-based techniques are developed to represent the gas turbine engine dynamics, namely, two heterogeneous ensemble models and one homogeneous ensemble model. It is first shown that all ensemble approaches do significantly improve the overall performance and accuracy of the developed system identification scheme when compared to each of the stand-alone solutions. The best selected stand-alone model (i.e., the dynamic RBF network) and the best selected ensemble architecture (i.e., the heterogeneous ensemble) in terms of their performances in achieving an accurate system identification are then selected for solving the FDI task. The required residual signals are generated by using both a single model-based solution and an ensemble-based solution under various gas turbine engine health conditions. Our extensive simulation studies demonstrate that the fault detection and isolation task achieved by using the residuals that are obtained from the dynamic ensemble scheme results in a significantly more accurate and reliable performance as illustrated through detailed quantitative confusion matrix analysis and comparative studies. Copyright © 2016 Elsevier Ltd. All rights reserved.

Simultaneous escaping of explicit and hidden free energy barriers: application of the orthogonal space random walk strategy in generalized ensemble based conformational sampling.

PubMed

Zheng, Lianqing; Chen, Mengen; Yang, Wei

2009-06-21

To overcome the pseudoergodicity problem, conformational sampling can be accelerated via generalized ensemble methods, e.g., through the realization of random walks along prechosen collective variables, such as spatial order parameters, energy scaling parameters, or even system temperatures or pressures, etc. As usually observed, in generalized ensemble simulations, hidden barriers are likely to exist in the space perpendicular to the collective variable direction and these residual free energy barriers could greatly abolish the sampling efficiency. This sampling issue is particularly severe when the collective variable is defined in a low-dimension subset of the target system; then the "Hamiltonian lagging" problem, which reveals the fact that necessary structural relaxation falls behind the move of the collective variable, may be likely to occur. To overcome this problem in equilibrium conformational sampling, we adopted the orthogonal space random walk (OSRW) strategy, which was originally developed in the context of free energy simulation [L. Zheng, M. Chen, and W. Yang, Proc. Natl. Acad. Sci. U.S.A. 105, 20227 (2008)]. Thereby, generalized ensemble simulations can simultaneously escape both the explicit barriers along the collective variable direction and the hidden barriers that are strongly coupled with the collective variable move. As demonstrated in our model studies, the present OSRW based generalized ensemble treatments show improved sampling capability over the corresponding classical generalized ensemble treatments.

On the possible long-term fate of oil released in the deepwater horizon incident: estimated by ensembles of dye release simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Maltrud, Mathew E.; Peacock, Synte L.; Visbeck, Martin

2010-08-01

We have conducted an ensemble of 20 simulations using a high-resolution global ocean model in which dye was continuously injected at the site of the Deepwater Horizon drilling rig for two months. We then extended these simulations for another four months to track the dispersal of the dye in the model. We have also performed five simulations in which dye was continuously injected at the site of the spill for four months and then run out to one year from the initial spill date. The experiments can elucidate the time and space scales of dispersal of polluted waters and alsomore » give a quantitative estimate of dilution rate, ignoring any sink terms such as chemical or biological degradation.« less

A Sequential Ensemble Prediction System at Convection Permitting Scales

NASA Astrophysics Data System (ADS)

Milan, M.; Simmer, C.

2012-04-01

A Sequential Assimilation Method (SAM) following some aspects of particle filtering with resampling, also called SIR (Sequential Importance Resampling), is introduced and applied in the framework of an Ensemble Prediction System (EPS) for weather forecasting on convection permitting scales, with focus to precipitation forecast. At this scale and beyond, the atmosphere increasingly exhibits chaotic behaviour and non linear state space evolution due to convectively driven processes. One way to take full account of non linear state developments are particle filter methods, their basic idea is the representation of the model probability density function by a number of ensemble members weighted by their likelihood with the observations. In particular particle filter with resampling abandons ensemble members (particles) with low weights restoring the original number of particles adding multiple copies of the members with high weights. In our SIR-like implementation we substitute the likelihood way to define weights and introduce a metric which quantifies the "distance" between the observed atmospheric state and the states simulated by the ensemble members. We also introduce a methodology to counteract filter degeneracy, i.e. the collapse of the simulated state space. To this goal we propose a combination of resampling taking account of simulated state space clustering and nudging. By keeping cluster representatives during resampling and filtering, the method maintains the potential for non linear system state development. We assume that a particle cluster with initially low likelihood may evolve in a state space with higher likelihood in a subsequent filter time thus mimicking non linear system state developments (e.g. sudden convection initiation) and remedies timing errors for convection due to model errors and/or imperfect initial condition. We apply a simplified version of the resampling, the particles with highest weights in each cluster are duplicated; for the model evolution for each particle pair one particle evolves using the forward model; the second particle, however, is nudged to the radar and satellite observation during its evolution based on the forward model.

A hybrid variational ensemble data assimilation for the HIgh Resolution Limited Area Model (HIRLAM)

NASA Astrophysics Data System (ADS)

Gustafsson, N.; Bojarova, J.; Vignes, O.

2014-02-01

A hybrid variational ensemble data assimilation has been developed on top of the HIRLAM variational data assimilation. It provides the possibility of applying a flow-dependent background error covariance model during the data assimilation at the same time as full rank characteristics of the variational data assimilation are preserved. The hybrid formulation is based on an augmentation of the assimilation control variable with localised weights to be assigned to a set of ensemble member perturbations (deviations from the ensemble mean). The flow-dependency of the hybrid assimilation is demonstrated in single simulated observation impact studies and the improved performance of the hybrid assimilation in comparison with pure 3-dimensional variational as well as pure ensemble assimilation is also proven in real observation assimilation experiments. The performance of the hybrid assimilation is comparable to the performance of the 4-dimensional variational data assimilation. The sensitivity to various parameters of the hybrid assimilation scheme and the sensitivity to the applied ensemble generation techniques are also examined. In particular, the inclusion of ensemble perturbations with a lagged validity time has been examined with encouraging results.

Similarity Assessment of Land Surface Model Outputs in the North American Land Data Assimilation System

NASA Astrophysics Data System (ADS)

Kumar, Sujay V.; Wang, Shugong; Mocko, David M.; Peters-Lidard, Christa D.; Xia, Youlong

2017-11-01

Multimodel ensembles are often used to produce ensemble mean estimates that tend to have increased simulation skill over any individual model output. If multimodel outputs are too similar, an individual LSM would add little additional information to the multimodel ensemble, whereas if the models are too dissimilar, it may be indicative of systematic errors in their formulations or configurations. The article presents a formal similarity assessment of the North American Land Data Assimilation System (NLDAS) multimodel ensemble outputs to assess their utility to the ensemble, using a confirmatory factor analysis. Outputs from four NLDAS Phase 2 models currently running in operations at NOAA/NCEP and four new/upgraded models that are under consideration for the next phase of NLDAS are employed in this study. The results show that the runoff estimates from the LSMs were most dissimilar whereas the models showed greater similarity for root zone soil moisture, snow water equivalent, and terrestrial water storage. Generally, the NLDAS operational models showed weaker association with the common factor of the ensemble and the newer versions of the LSMs showed stronger association with the common factor, with the model similarity increasing at longer time scales. Trade-offs between the similarity metrics and accuracy measures indicated that the NLDAS operational models demonstrate a larger span in the similarity-accuracy space compared to the new LSMs. The results of the article indicate that simultaneous consideration of model similarity and accuracy at the relevant time scales is necessary in the development of multimodel ensemble.

Impacts of a Stochastic Ice Mass-Size Relationship on Squall Line Ensemble Simulations

NASA Astrophysics Data System (ADS)

Stanford, M.; Varble, A.; Morrison, H.; Grabowski, W.; McFarquhar, G. M.; Wu, W.

2017-12-01

Cloud and precipitation structure, evolution, and cloud radiative forcing of simulated mesoscale convective systems (MCSs) are significantly impacted by ice microphysics parameterizations. Most microphysics schemes assume power law relationships with constant parameters for ice particle mass, area, and terminal fallspeed relationships as a function of size, despite observations showing that these relationships vary in both time and space. To account for such natural variability, a stochastic representation of ice microphysical parameters was developed using the Predicted Particle Properties (P3) microphysics scheme in the Weather Research and Forecasting model, guided by in situ aircraft measurements from a number of field campaigns. Here, the stochastic framework is applied to the "a" and "b" parameters of the unrimed ice mass-size (m-D) relationship (m=aDb) with co-varying "a" and "b" values constrained by observational distributions tested over a range of spatiotemporal autocorrelation scales. Diagnostically altering a-b pairs in three-dimensional (3D) simulations of the 20 May 2011 Midlatitude Continental Convective Clouds Experiment (MC3E) squall line suggests that these parameters impact many important characteristics of the simulated squall line, including reflectivity structure (particularly in the anvil region), surface rain rates, surface and top of atmosphere radiative fluxes, buoyancy and latent cooling distributions, and system propagation speed. The stochastic a-b P3 scheme is tested using two frameworks: (1) a large ensemble of two-dimensional idealized squall line simulations and (2) a smaller ensemble of 3D simulations of the 20 May 2011 squall line, for which simulations are evaluated using observed radar reflectivity and radial velocity at multiple wavelengths, surface meteorology, and surface and satellite measured longwave and shortwave radiative fluxes. Ensemble spreads are characterized and compared against initial condition ensemble spreads for a range of variables.

The interaction of the flux errors and transport errors in modeled atmospheric carbon dioxide concentrations

NASA Astrophysics Data System (ADS)

Feng, S.; Lauvaux, T.; Butler, M. P.; Keller, K.; Davis, K. J.; Jacobson, A. R.; Schuh, A. E.; Basu, S.; Liu, J.; Baker, D.; Crowell, S.; Zhou, Y.; Williams, C. A.

2017-12-01

Regional estimates of biogenic carbon fluxes over North America from top-down atmospheric inversions and terrestrial biogeochemical (or bottom-up) models remain inconsistent at annual and sub-annual time scales. While top-down estimates are impacted by limited atmospheric data, uncertain prior flux estimates and errors in the atmospheric transport models, bottom-up fluxes are affected by uncertain driver data, uncertain model parameters and missing mechanisms across ecosystems. This study quantifies both flux errors and transport errors, and their interaction in the CO2 atmospheric simulation. These errors are assessed by an ensemble approach. The WRF-Chem model is set up with 17 biospheric fluxes from the Multiscale Synthesis and Terrestrial Model Intercomparison Project, CarbonTracker-Near Real Time, and the Simple Biosphere model. The spread of the flux ensemble members represents the flux uncertainty in the modeled CO2 concentrations. For the transport errors, WRF-Chem is run using three physical model configurations with three stochastic perturbations to sample the errors from both the physical parameterizations of the model and the initial conditions. Additionally, the uncertainties from boundary conditions are assessed using four CO2 global inversion models which have assimilated tower and satellite CO2 observations. The error structures are assessed in time and space. The flux ensemble members overall overestimate CO2 concentrations. They also show larger temporal variability than the observations. These results suggest that the flux ensemble is overdispersive. In contrast, the transport ensemble is underdispersive. The averaged spatial distribution of modeled CO2 shows strong positive biogenic signal in the southern US and strong negative signals along the eastern coast of Canada. We hypothesize that the former is caused by the 3-hourly downscaling algorithm from which the nighttime respiration dominates the daytime modeled CO2 signals and that the latter is mainly caused by the large-scale transport associated with the jet stream that carries the negative biogenic CO2 signals to the northeastern coast. We apply comprehensive statistics to eliminate outliers. We generate a set of flux perturbations based on pre-calibrated flux ensemble members and apply them to the simulations.

Assessing climate change impacts, benefits of mitigation, and uncertainties on major global forest regions under multiple socioeconomic and emissions scenarios

Treesearch

John B Kim; Erwan Monier; Brent Sohngen; G Stephen Pitts; Ray Drapek; James McFarland; Sara Ohrel; Jefferson Cole

2016-01-01

We analyze a set of simulations to assess the impact of climate change on global forests where MC2 dynamic global vegetation model (DGVM) was run with climate simulations from the MIT Integrated Global System Model-Community Atmosphere Model (IGSM-CAM) modeling framework. The core study relies on an ensemble of climate simulations under two emissions scenarios: a...

An Assessment of Multimodel Simulations for the Variability of Western North Pacific Tropical Cyclones and Its Association with ENSO

NASA Technical Reports Server (NTRS)

Han, Rongqing; Wang, Hui; Hu, Zeng-Zhen; Kumar, Arun; Li, Weijing; Long, Lindsey N.; Schemm, Jae-Kyung E.; Peng, Peitao; Wang, Wanqiu; Si, Dong;

Advances in snow cover distributed modelling via ensemble simulations and assimilation of satellite data

NASA Astrophysics Data System (ADS)

Revuelto, J.; Dumont, M.; Tuzet, F.; Vionnet, V.; Lafaysse, M.; Lecourt, G.; Vernay, M.; Morin, S.; Cosme, E.; Six, D.; Rabatel, A.

2017-12-01

Nowadays snowpack models show a good capability in simulating the evolution of snow in mountain areas. However singular deviations of meteorological forcing and shortcomings in the modelling of snow physical processes, when accumulated on time along a snow season, could produce large deviations from real snowpack state. The evaluation of these deviations is usually assessed with on-site observations from automatic weather stations. Nevertheless the location of these stations could strongly influence the results of these evaluations since local topography may have a marked influence on snowpack evolution. Despite the evaluation of snowpack models with automatic weather stations usually reveal good results, there exist a lack of large scale evaluations of simulations results on heterogeneous alpine terrain subjected to local topographic effects.This work firstly presents a complete evaluation of the detailed snowpack model Crocus over an extended mountain area, the Arve upper catchment (western European Alps). This catchment has a wide elevation range with a large area above 2000m a.s.l. and/or glaciated. The evaluation compares results obtained with distributed and semi-distributed simulations (the latter nowadays used on the operational forecasting). Daily observations of the snow covered area from MODIS satellite sensor, seasonal glacier surface mass balance evolution measured in more than 65 locations and the galciers annual equilibrium line altitude from Landsat/Spot/Aster satellites, have been used for model evaluation. Additionally the latest advances in producing ensemble snowpack simulations for assimilating satellite reflectance data over extended areas will be presented. These advances comprises the generation of an ensemble of downscaled high-resolution meteorological forcing from meso-scale meteorological models and the application of a particle filter scheme for assimilating satellite observations. Despite the results are prefatory, they show a good potential improving snowpack forecasting capabilities.

Dynamics Under Location Uncertainty: Model Derivation, Modified Transport and Uncertainty Quantification

NASA Astrophysics Data System (ADS)

Resseguier, V.; Memin, E.; Chapron, B.; Fox-Kemper, B.

2017-12-01

In order to better observe and predict geophysical flows, ensemble-based data assimilation methods are of high importance. In such methods, an ensemble of random realizations represents the variety of the simulated flow's likely behaviors. For this purpose, randomness needs to be introduced in a suitable way and physically-based stochastic subgrid parametrizations are promising paths. This talk will propose a new kind of such a parametrization referred to as modeling under location uncertainty. The fluid velocity is decomposed into a resolved large-scale component and an aliased small-scale one. The first component is possibly random but time-correlated whereas the second is white-in-time but spatially-correlated and possibly inhomogeneous and anisotropic. With such a velocity, the material derivative of any - possibly active - tracer is modified. Three new terms appear: a correction of the large-scale advection, a multiplicative noise and a possibly heterogeneous and anisotropic diffusion. This parameterization naturally ensures attractive properties such as energy conservation for each realization. Additionally, this stochastic material derivative and the associated Reynolds' transport theorem offer a systematic method to derive stochastic models. In particular, we will discuss the consequences of the Quasi-Geostrophic assumptions in our framework. Depending on the turbulence amount, different models with different physical behaviors are obtained. Under strong turbulence assumptions, a simplified diagnosis of frontolysis and frontogenesis at the surface of the ocean is possible in this framework. A Surface Quasi-Geostrophic (SQG) model with a weaker noise influence has also been simulated. A single realization better represents small scales than a deterministic SQG model at the same resolution. Moreover, an ensemble accurately predicts extreme events, bifurcations as well as the amplitudes and the positions of the simulation errors. Figure 1 highlights this last result and compares it to the strong error underestimation of an ensemble simulated from the deterministic dynamic with random initial conditions.

Comparing the model-simulated global warming signal to observations using empirical estimates of unforced noise

USDA-ARS?s Scientific Manuscript database

The comparison of observed global mean surface air temperature (GMT) change to the mean change simulated by climate models has received much attention. For a given global warming signal produced by a climate model ensemble, there exists an envelope of GMT values representing the range of possible un...

Generating extreme weather event sets from very large ensembles of regional climate models

NASA Astrophysics Data System (ADS)

Massey, Neil; Guillod, Benoit; Otto, Friederike; Allen, Myles; Jones, Richard; Hall, Jim

2015-04-01

Generating extreme weather event sets from very large ensembles of regional climate models Neil Massey, Benoit P. Guillod, Friederike E. L. Otto, Myles R. Allen, Richard Jones, Jim W. Hall Environmental Change Institute, University of Oxford, Oxford, UK Extreme events can have large impacts on societies and are therefore being increasingly studied. In particular, climate change is expected to impact the frequency and intensity of these events. However, a major limitation when investigating extreme weather events is that, by definition, only few events are present in observations. A way to overcome this issue it to use large ensembles of model simulations. Using the volunteer distributed computing (VDC) infrastructure of weather@home [1], we run a very large number (10'000s) of RCM simulations over the European domain at a resolution of 25km, with an improved land-surface scheme, nested within a free-running GCM. Using VDC allows many thousands of climate model runs to be computed. Using observations for the GCM boundary forcings we can run historical "hindcast" simulations over the past 100 to 150 years. This allows us, due to the chaotic variability of the atmosphere, to ascertain how likely an extreme event was, given the boundary forcings, and to derive synthetic event sets. The events in these sets did not actually occur in the observed record but could have occurred given the boundary forcings, with an associated probability. The event sets contain time-series of fields of meteorological variables that allow impact modellers to assess the loss the event would incur. Projections of events into the future are achieved by modelling projections of the sea-surface temperature (SST) and sea-ice boundary forcings, by combining the variability of the SST in the observed record with a range of warming signals derived from the varying responses of SSTs in the CMIP5 ensemble to elevated greenhouse gas (GHG) emissions in three RCP scenarios. Simulating the future with a range of SST responses, as well as a range of RCP scenarios, allows us to assess the uncertainty in the response to elevated GHG emissions that occurs in the CMIP5 ensemble. Numerous extreme weather events can be studied. Firstly, we analyse droughts in Europe with a focus on the UK in the context of the project MaRIUS (Managing the Risks, Impacts and Uncertainties of droughts and water Scarcity). We analyse the characteristics of the simulated droughts, the underlying physical mechanisms, and assess droughts observed in the recent past. Secondly, we analyse windstorms by applying an objective storm-identification and tracking algorithm to the ensemble output, isolating those storms that cause high loss and building a probabilistic storm catalogue, which can be used by impact modellers, insurance loss modellers, etc. Finally, we combine the model output with a heat-stress index to determine the detrimental effect on health of heat waves in Europe. [1] Massey, N. et al., 2014, Q. J. R. Meteorol. Soc.

The Social Network of Tracer Variations and O(100) Uncertain Photochemical Parameters in the Community Atmosphere Model

NASA Astrophysics Data System (ADS)

Lucas, D. D.; Labute, M.; Chowdhary, K.; Debusschere, B.; Cameron-Smith, P. J.

2014-12-01

Simulating the atmospheric cycles of ozone, methane, and other radiatively important trace gases in global climate models is computationally demanding and requires the use of 100's of photochemical parameters with uncertain values. Quantitative analysis of the effects of these uncertainties on tracer distributions, radiative forcing, and other model responses is hindered by the "curse of dimensionality." We describe efforts to overcome this curse using ensemble simulations and advanced statistical methods. Uncertainties from 95 photochemical parameters in the trop-MOZART scheme were sampled using a Monte Carlo method and propagated through 10,000 simulations of the single column version of the Community Atmosphere Model (CAM). The variance of the ensemble was represented as a network with nodes and edges, and the topology and connections in the network were analyzed using lasso regression, Bayesian compressive sensing, and centrality measures from the field of social network theory. Despite the limited sample size for this high dimensional problem, our methods determined the key sources of variation and co-variation in the ensemble and identified important clusters in the network topology. Our results can be used to better understand the flow of photochemical uncertainty in simulations using CAM and other climate models. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 and supported by the DOE Office of Science through the Scientific Discovery Through Advanced Computing (SciDAC).

Parameter Uncertainty on AGCM-simulated Tropical Cyclones

NASA Astrophysics Data System (ADS)

He, F.

2015-12-01

This work studies the parameter uncertainty on tropical cyclone (TC) simulations in Atmospheric General Circulation Models (AGCMs) using the Reed-Jablonowski TC test case, which is illustrated in Community Atmosphere Model (CAM). It examines the impact from 24 parameters across the physical parameterization schemes that represent the convection, turbulence, precipitation and cloud processes in AGCMs. The one-at-a-time (OAT) sensitivity analysis method first quantifies their relative importance on TC simulations and identifies the key parameters to the six different TC characteristics: intensity, precipitation, longwave cloud radiative forcing (LWCF), shortwave cloud radiative forcing (SWCF), cloud liquid water path (LWP) and ice water path (IWP). Then, 8 physical parameters are chosen and perturbed using the Latin-Hypercube Sampling (LHS) method. The comparison between OAT ensemble run and LHS ensemble run shows that the simulated TC intensity is mainly affected by the parcel fractional mass entrainment rate in Zhang-McFarlane (ZM) deep convection scheme. The nonlinear interactive effect among different physical parameters is negligible on simulated TC intensity. In contrast, this nonlinear interactive effect plays a significant role in other simulated tropical cyclone characteristics (precipitation, LWCF, SWCF, LWP and IWP) and greatly enlarge their simulated uncertainties. The statistical emulator Extended Multivariate Adaptive Regression Splines (EMARS) is applied to characterize the response functions for nonlinear effect. Last, we find that the intensity uncertainty caused by physical parameters is in a degree comparable to uncertainty caused by model structure (e.g. grid) and initial conditions (e.g. sea surface temperature, atmospheric moisture). These findings suggest the importance of using the perturbed physics ensemble (PPE) method to revisit tropical cyclone prediction under climate change scenario.

Conformational ensembles of RNA oligonucleotides from integrating NMR and molecular simulations.

PubMed

Bottaro, Sandro; Bussi, Giovanni; Kennedy, Scott D; Turner, Douglas H; Lindorff-Larsen, Kresten

2018-05-01

RNA molecules are key players in numerous cellular processes and are characterized by a complex relationship between structure, dynamics, and function. Despite their apparent simplicity, RNA oligonucleotides are very flexible molecules, and understanding their internal dynamics is particularly challenging using experimental data alone. We show how to reconstruct the conformational ensemble of four RNA tetranucleotides by combining atomistic molecular dynamics simulations with nuclear magnetic resonance spectroscopy data. The goal is achieved by reweighting simulations using a maximum entropy/Bayesian approach. In this way, we overcome problems of current simulation methods, as well as in interpreting ensemble- and time-averaged experimental data. We determine the populations of different conformational states by considering several nuclear magnetic resonance parameters and point toward properties that are not captured by state-of-the-art molecular force fields. Although our approach is applied on a set of model systems, it is fully general and may be used to study the conformational dynamics of flexible biomolecules and to detect inaccuracies in molecular dynamics force fields.

Model-based assessment of a Northwestern Tropical Pacific moored array to monitor intraseasonal variability

NASA Astrophysics Data System (ADS)

Liu, Danian; Zhu, Jiang; Shu, Yeqiang; Wang, Dongxiao; Wang, Weiqiang; Cai, Shuqun

2018-06-01

The Northwestern Tropical Pacific Ocean (NWTPO) moorings observing system, including 15 moorings, was established in 2013 to provide velocity profile data. Observing system simulation experiments (OSSEs) were carried out to assess the ability of the observation system to monitor intraseasonal variability in a pilot study, where ideal "mooring-observed" velocity was assimilated using Ensemble Optimal Interpolation (EnOI) based on the Regional Oceanic Modeling System (ROMS). Because errors between the control and "nature" runs have a mesoscale structure, a random ensemble derived from 20-90-day bandpass-filtered nine-year model outputs is proved to be more appropriate for the NWTPO mooring array assimilation than a random ensemble derived from a 30-day running mean. The simulation of the intraseasonal currents in the North Equatorial Current (NEC), North Equatorial Countercurrent (NECC), and Equatorial Undercurrent (EUC) areas can be improved by assimilating velocity profiles using a 20-90-day bandpass-filtered ensemble. The root mean square errors (RMSEs) of the intraseasonal zonal (U) and meridional velocity (V) above 500 m depth within the study area (between 0°N-18°N and 122°E-147°E) were reduced by 15.4% and 16.9%, respectively. Improvements in the downstream area of the NEC moorings transect were optimum where the RMSEs of the intraseasonal velocities above 500 m were reduced by more than 30%. Assimilating velocity profiles can have a positive impact on the simulation and forecast of thermohaline structure and sea level anomalies in the ocean.

Failure analysis of parameter-induced simulation crashes in climate models

NASA Astrophysics Data System (ADS)

Lucas, D. D.; Klein, R.; Tannahill, J.; Ivanova, D.; Brandon, S.; Domyancic, D.; Zhang, Y.

2013-01-01

Simulations using IPCC-class climate models are subject to fail or crash for a variety of reasons. Quantitative analysis of the failures can yield useful insights to better understand and improve the models. During the course of uncertainty quantification (UQ) ensemble simulations to assess the effects of ocean model parameter uncertainties on climate simulations, we experienced a series of simulation crashes within the Parallel Ocean Program (POP2) component of the Community Climate System Model (CCSM4). About 8.5% of our CCSM4 simulations failed for numerical reasons at combinations of POP2 parameter values. We apply support vector machine (SVM) classification from machine learning to quantify and predict the probability of failure as a function of the values of 18 POP2 parameters. A committee of SVM classifiers readily predicts model failures in an independent validation ensemble, as assessed by the area under the receiver operating characteristic (ROC) curve metric (AUC > 0.96). The causes of the simulation failures are determined through a global sensitivity analysis. Combinations of 8 parameters related to ocean mixing and viscosity from three different POP2 parameterizations are the major sources of the failures. This information can be used to improve POP2 and CCSM4 by incorporating correlations across the relevant parameters. Our method can also be used to quantify, predict, and understand simulation crashes in other complex geoscientific models.

Failure analysis of parameter-induced simulation crashes in climate models

NASA Astrophysics Data System (ADS)

Lucas, D. D.; Klein, R.; Tannahill, J.; Ivanova, D.; Brandon, S.; Domyancic, D.; Zhang, Y.

2013-08-01

Simulations using IPCC (Intergovernmental Panel on Climate Change)-class climate models are subject to fail or crash for a variety of reasons. Quantitative analysis of the failures can yield useful insights to better understand and improve the models. During the course of uncertainty quantification (UQ) ensemble simulations to assess the effects of ocean model parameter uncertainties on climate simulations, we experienced a series of simulation crashes within the Parallel Ocean Program (POP2) component of the Community Climate System Model (CCSM4). About 8.5% of our CCSM4 simulations failed for numerical reasons at combinations of POP2 parameter values. We applied support vector machine (SVM) classification from machine learning to quantify and predict the probability of failure as a function of the values of 18 POP2 parameters. A committee of SVM classifiers readily predicted model failures in an independent validation ensemble, as assessed by the area under the receiver operating characteristic (ROC) curve metric (AUC > 0.96). The causes of the simulation failures were determined through a global sensitivity analysis. Combinations of 8 parameters related to ocean mixing and viscosity from three different POP2 parameterizations were the major sources of the failures. This information can be used to improve POP2 and CCSM4 by incorporating correlations across the relevant parameters. Our method can also be used to quantify, predict, and understand simulation crashes in other complex geoscientific models.

Bayesian Ensemble Trees (BET) for Clustering and Prediction in Heterogeneous Data

PubMed Central

Duan, Leo L.; Clancy, John P.; Szczesniak, Rhonda D.

2016-01-01

We propose a novel “tree-averaging” model that utilizes the ensemble of classification and regression trees (CART). Each constituent tree is estimated with a subset of similar data. We treat this grouping of subsets as Bayesian Ensemble Trees (BET) and model them as a Dirichlet process. We show that BET determines the optimal number of trees by adapting to the data heterogeneity. Compared with the other ensemble methods, BET requires much fewer trees and shows equivalent prediction accuracy using weighted averaging. Moreover, each tree in BET provides variable selection criterion and interpretation for each subset. We developed an efficient estimating procedure with improved estimation strategies in both CART and mixture models. We demonstrate these advantages of BET with simulations and illustrate the approach with a real-world data example involving regression of lung function measurements obtained from patients with cystic fibrosis. Supplemental materials are available online. PMID:27524872

Quantifying the Influence of Dynamics Across Scales on Regional Climate Uncertainty in Western North America

NASA Astrophysics Data System (ADS)

Goldenson, Naomi L.

Uncertainties in climate projections at the regional scale are inevitably larger than those for global mean quantities. Here, focusing on western North American regional climate, several approaches are taken to quantifying uncertainties starting with the output of global climate model projections. Internal variance is found to be an important component of the projection uncertainty up and down the west coast. To quantify internal variance and other projection uncertainties in existing climate models, we evaluate different ensemble configurations. Using a statistical framework to simultaneously account for multiple sources of uncertainty, we find internal variability can be quantified consistently using a large ensemble or an ensemble of opportunity that includes small ensembles from multiple models and climate scenarios. The latter offers the advantage of also producing estimates of uncertainty due to model differences. We conclude that climate projection uncertainties are best assessed using small single-model ensembles from as many model-scenario pairings as computationally feasible. We then conduct a small single-model ensemble of simulations using the Model for Prediction Across Scales with physics from the Community Atmosphere Model Version 5 (MPAS-CAM5) and prescribed historical sea surface temperatures. In the global variable resolution domain, the finest resolution (at 30 km) is in our region of interest over western North America and upwind over the northeast Pacific. In the finer-scale region, extreme precipitation from atmospheric rivers (ARs) is connected to tendencies in seasonal snowpack in mountains of the Northwest United States and California. In most of the Cascade Mountains, winters with more AR days are associated with less snowpack, in contrast to the northern Rockies and California's Sierra Nevadas. In snowpack observations and reanalysis of the atmospheric circulation, we find similar relationships between frequency of AR events and winter season snowpack in the western United States. In spring, however, there is not a clear relationship between number of AR days and seasonal mean snowpack across the model ensemble, so caution is urged in interpreting the historical record in the spring season. Finally, the representation of the El Nino Southern Oscillation (ENSO)--an important source of interannual climate predictability in some regions--is explored in a large single-model ensemble using ensemble Empirical Orthogonal Functions (EOFs) to find modes of variance across the entire ensemble at once. The leading EOF is ENSO. The principal components (PCs) of the next three EOFs exhibit a lead-lag relationship with the ENSO signal captured in the first PC. The second PC, with most of its variance in the summer season, is the most strongly cross-correlated with the first. This approach offers insight into how the model considered represents this important atmosphere-ocean interaction. Taken together these varied approaches quantify the implications of climate projections regionally, identify processes that make snowpack water resources vulnerable, and seek insight into how to better simulate the large-scale climate modes controlling regional variability.

Predicting lymphatic filariasis transmission and elimination dynamics using a multi-model ensemble framework.

PubMed

Smith, Morgan E; Singh, Brajendra K; Irvine, Michael A; Stolk, Wilma A; Subramanian, Swaminathan; Hollingsworth, T Déirdre; Michael, Edwin

2017-03-01

Mathematical models of parasite transmission provide powerful tools for assessing the impacts of interventions. Owing to complexity and uncertainty, no single model may capture all features of transmission and elimination dynamics. Multi-model ensemble modelling offers a framework to help overcome biases of single models. We report on the development of a first multi-model ensemble of three lymphatic filariasis (LF) models (EPIFIL, LYMFASIM, and TRANSFIL), and evaluate its predictive performance in comparison with that of the constituents using calibration and validation data from three case study sites, one each from the three major LF endemic regions: Africa, Southeast Asia and Papua New Guinea (PNG). We assessed the performance of the respective models for predicting the outcomes of annual MDA strategies for various baseline scenarios thought to exemplify the current endemic conditions in the three regions. The results show that the constructed multi-model ensemble outperformed the single models when evaluated across all sites. Single models that best fitted calibration data tended to do less well in simulating the out-of-sample, or validation, intervention data. Scenario modelling results demonstrate that the multi-model ensemble is able to compensate for variance between single models in order to produce more plausible predictions of intervention impacts. Our results highlight the value of an ensemble approach to modelling parasite control dynamics. However, its optimal use will require further methodological improvements as well as consideration of the organizational mechanisms required to ensure that modelling results and data are shared effectively between all stakeholders. Copyright © 2017 The Authors. Published by Elsevier B.V. All rights reserved.

Ability of an ensemble of regional climate models to reproduce weather regimes over Europe-Atlantic during the period 1961-2000

NASA Astrophysics Data System (ADS)

Sanchez-Gomez, Emilia; Somot, S.; Déqué, M.

2009-10-01

One of the main concerns in regional climate modeling is to which extent limited-area regional climate models (RCM) reproduce the large-scale atmospheric conditions of their driving general circulation model (GCM). In this work we investigate the ability of a multi-model ensemble of regional climate simulations to reproduce the large-scale weather regimes of the driving conditions. The ensemble consists of a set of 13 RCMs on a European domain, driven at their lateral boundaries by the ERA40 reanalysis for the time period 1961-2000. Two sets of experiments have been completed with horizontal resolutions of 50 and 25 km, respectively. The spectral nudging technique has been applied to one of the models within the ensemble. The RCMs reproduce the weather regimes behavior in terms of composite pattern, mean frequency of occurrence and persistence reasonably well. The models also simulate well the long-term trends and the inter-annual variability of the frequency of occurrence. However, there is a non-negligible spread among the models which is stronger in summer than in winter. This spread is due to two reasons: (1) we are dealing with different models and (2) each RCM produces an internal variability. As far as the day-to-day weather regime history is concerned, the ensemble shows large discrepancies. At daily time scale, the model spread has also a seasonal dependence, being stronger in summer than in winter. Results also show that the spectral nudging technique improves the model performance in reproducing the large-scale of the driving field. In addition, the impact of increasing the number of grid points has been addressed by comparing the 25 and 50 km experiments. We show that the horizontal resolution does not affect significantly the model performance for large-scale circulation.

Errors and uncertainties in regional climate simulations of rainfall variability over Tunisia: a multi-model and multi-member approach

NASA Astrophysics Data System (ADS)

Fathalli, Bilel; Pohl, Benjamin; Castel, Thierry; Safi, Mohamed Jomâa

2018-02-01

Temporal and spatial variability of rainfall over Tunisia (at 12 km spatial resolution) is analyzed in a multi-year (1992-2011) ten-member ensemble simulation performed using the WRF model, and a sample of regional climate hindcast simulations from Euro-CORDEX. RCM errors and skills are evaluated against a dense network of local rain gauges. Uncertainties arising, on the one hand, from the different model configurations and, on the other hand, from internal variability are furthermore quantified and ranked at different timescales using simple spread metrics. Overall, the WRF simulation shows good skill for simulating spatial patterns of rainfall amounts over Tunisia, marked by strong altitudinal and latitudinal gradients, as well as the rainfall interannual variability, in spite of systematic errors. Mean rainfall biases are wet in both DJF and JJA seasons for the WRF ensemble, while they are dry in winter and wet in summer for most of the used Euro-CORDEX models. The sign of mean annual rainfall biases over Tunisia can also change from one member of the WRF ensemble to another. Skills in regionalizing precipitation over Tunisia are season dependent, with better correlations and weaker biases in winter. Larger inter-member spreads are observed in summer, likely because of (1) an attenuated large-scale control on Mediterranean and Tunisian climate, and (2) a larger contribution of local convective rainfall to the seasonal amounts. Inter-model uncertainties are globally stronger than those attributed to model's internal variability. However, inter-member spreads can be of the same magnitude in summer, emphasizing the important stochastic nature of the summertime rainfall variability over Tunisia.

Hydrometeorology as an Inversion Problem: Can River Discharge Observations Improve the Atmosphere by Ensemble Data Assimilation?

NASA Astrophysics Data System (ADS)

Sawada, Yohei; Nakaegawa, Tosiyuki; Miyoshi, Takemasa

2018-01-01

We examine the potential of assimilating river discharge observations into the atmosphere by strongly coupled river-atmosphere ensemble data assimilation. The Japan Meteorological Agency's Non-Hydrostatic atmospheric Model (JMA-NHM) is first coupled with a simple rainfall-runoff model. Next, the local ensemble transform Kalman filter is used for this coupled model to assimilate the observations of the rainfall-runoff model variables into the JMA-NHM model variables. This system makes it possible to do hydrometeorology backward, i.e., to inversely estimate atmospheric conditions from the information of river flows or a flood on land surfaces. We perform a proof-of-concept Observing System Simulation Experiment, which reveals that the assimilation of river discharge observations into the atmospheric model variables can improve the skill of the short-term severe rainfall forecast.

North Atlantic winter eddy-driven jet and atmospheric blocking variability in the Community Earth System Model version 1 Large Ensemble simulations

NASA Astrophysics Data System (ADS)

Kwon, Young-Oh; Camacho, Alicia; Martinez, Carlos; Seo, Hyodae

2018-01-01

The atmospheric jet and blocking distributions, especially in the North Atlantic sector, have been challenging features for a climate model to realistically reproduce. This study examines climatological distributions of winter (December-February) daily jet latitude and blocking in the North Atlantic from the 40-member Community Earth System Model version 1 Large Ensemble (CESM1LE) simulations. This analysis aims at examining whether a broad range of internal climate variability encompassed by a large ensemble of simulations results in an improved representation of the jet latitude distributions and blocking days in CESM1LE. In the historical runs (1951-2005), the daily zonal wind at 850 hPa exhibits three distinct preferred latitudes for the eddy-driven jet position as seen in the reanalysis datasets, which represents a significant improvement from the previous version of the same model. However, the meridional separations between the three jet latitudes are much smaller than those in the reanalyses. In particular, the jet rarely migrates to the observed southernmost position around 37°N. This leads to the bias in blocking frequency that is too low over Greenland and too high over the Azores. These features are shown to be remarkably stable across the 40 ensemble members with negligible member-to-member spread. This result implies the range of internal variability of winter jet latitude and blocking frequency within the 55-year segment from each ensemble member is comparable to that represented by the full large ensemble. Comparison with 2046-2100 from the RCP8.5 future projection runs suggests that the daily jet position is projected to maintain the same three preferred latitudes, with a slightly higher frequency of occurrence over the central latitude around 50°N, instead of shifting poleward in the future as documented in some previous studies. In addition, the daily jet speed is projected not to change significantly between 1951-2005 and 2046-2100. On the other hand, the climatological mean jet is projected to become slightly more elongated and stronger on its southern flank, and the blocking frequency over the Azores is projected to decrease.

Assessing the contribution of different factors in RegCM4.3 regional climate model projections using the Factor Separation method over the Med-CORDEX domain

NASA Astrophysics Data System (ADS)

Zsolt Torma, Csaba; Giorgi, Filippo

2014-05-01

A set of regional climate model (RCM) simulations applying dynamical downscaling of global climate model (GCM) simulations over the Mediterranean domain specified by the international initiative Coordinated Regional Downscaling Experiment (CORDEX) were completed with the Regional Climate Model RegCM, version RegCM4.3. Two GCMs were selected from the Coupled Model Intercomparison Project Phase 5 (CMIP5) ensemble to provide the driving fields for the RegCM: HadGEM2-ES (HadGEM) and MPI-ESM-MR (MPI). The simulations consist of an ensemble including multiple physics configurations and different "Reference Concentration Pathways" (RCP4.5 and RCP8.5). In total 15 simulations were carried out with 7 model physics configurations with varying convection and land surface schemes. The horizontal grid spacing of the RCM simulations is 50 km and the simulated period in all cases is 1970-2100 (1970-2099 in case of HadGEM driven simulations). This ensemble includes a combination of experiments in which different model components are changed individually and in combination, and thus lends itself optimally to the application of the Factor Separation (FS) method. This study applies the FS method to investigate the contributions of different factors, along with their synergy, on a set of regional climate model (RCM) projections for the Mediterranean region. The FS method is applied to 6 projections for the period 1970-2100 performed with the regional model RegCM4.3 over the Med-CORDEX domain. Two different sets of factors are intercompared, namely the driving global climate model (HadGEM and MPI) boundary conditions against two model physics settings (convection scheme and irrigation). We find that both the GCM driving conditions and the model physics provide important contributions, depending on the variable analyzed (surface air temperature and precipitation), season (winter vs. summer) and time horizon into the future, while the synergy term mostly tends to counterbalance the contributions of the individual factors. We demonstrate the usefulness of the FS method to assess different sources of uncertainty in RCM-based regional climate projections.

An Intelligent Ensemble Neural Network Model for Wind Speed Prediction in Renewable Energy Systems.

PubMed

Ranganayaki, V; Deepa, S N

2016-01-01

Various criteria are proposed to select the number of hidden neurons in artificial neural network (ANN) models and based on the criterion evolved an intelligent ensemble neural network model is proposed to predict wind speed in renewable energy applications. The intelligent ensemble neural model based wind speed forecasting is designed by averaging the forecasted values from multiple neural network models which includes multilayer perceptron (MLP), multilayer adaptive linear neuron (Madaline), back propagation neural network (BPN), and probabilistic neural network (PNN) so as to obtain better accuracy in wind speed prediction with minimum error. The random selection of hidden neurons numbers in artificial neural network results in overfitting or underfitting problem. This paper aims to avoid the occurrence of overfitting and underfitting problems. The selection of number of hidden neurons is done in this paper employing 102 criteria; these evolved criteria are verified by the computed various error values. The proposed criteria for fixing hidden neurons are validated employing the convergence theorem. The proposed intelligent ensemble neural model is applied for wind speed prediction application considering the real time wind data collected from the nearby locations. The obtained simulation results substantiate that the proposed ensemble model reduces the error value to minimum and enhances the accuracy. The computed results prove the effectiveness of the proposed ensemble neural network (ENN) model with respect to the considered error factors in comparison with that of the earlier models available in the literature.

A model ensemble for projecting multi‐decadal coastal cliff retreat during the 21st century

USGS Publications Warehouse

Limber, Patrick; Barnard, Patrick; Vitousek, Sean; Erikson, Li

2018-01-01

Sea cliff retreat rates are expected to accelerate with rising sea levels during the 21st century. Here we develop an approach for a multi‐model ensemble that efficiently projects time‐averaged sea cliff retreat over multi‐decadal time scales and large (>50 km) spatial scales. The ensemble consists of five simple 1‐D models adapted from the literature that relate sea cliff retreat to wave impacts, sea level rise (SLR), historical cliff behavior, and cross‐shore profile geometry. Ensemble predictions are based on Monte Carlo simulations of each individual model, which account for the uncertainty of model parameters. The consensus of the individual models also weights uncertainty, such that uncertainty is greater when predictions from different models do not agree. A calibrated, but unvalidated, ensemble was applied to the 475 km‐long coastline of Southern California (USA), with 4 SLR scenarios of 0.5, 0.93, 1.5, and 2 m by 2100. Results suggest that future retreat rates could increase relative to mean historical rates by more than two‐fold for the higher SLR scenarios, causing an average total land loss of 19 – 41 m by 2100. However, model uncertainty ranges from +/‐ 5 – 15 m, reflecting the inherent difficulties of projecting cliff retreat over multiple decades. To enhance ensemble performance, future work could include weighting each model by its skill in matching observations in different morphological settings

An Intelligent Ensemble Neural Network Model for Wind Speed Prediction in Renewable Energy Systems

PubMed Central

Ranganayaki, V.; Deepa, S. N.

2016-01-01

Various criteria are proposed to select the number of hidden neurons in artificial neural network (ANN) models and based on the criterion evolved an intelligent ensemble neural network model is proposed to predict wind speed in renewable energy applications. The intelligent ensemble neural model based wind speed forecasting is designed by averaging the forecasted values from multiple neural network models which includes multilayer perceptron (MLP), multilayer adaptive linear neuron (Madaline), back propagation neural network (BPN), and probabilistic neural network (PNN) so as to obtain better accuracy in wind speed prediction with minimum error. The random selection of hidden neurons numbers in artificial neural network results in overfitting or underfitting problem. This paper aims to avoid the occurrence of overfitting and underfitting problems. The selection of number of hidden neurons is done in this paper employing 102 criteria; these evolved criteria are verified by the computed various error values. The proposed criteria for fixing hidden neurons are validated employing the convergence theorem. The proposed intelligent ensemble neural model is applied for wind speed prediction application considering the real time wind data collected from the nearby locations. The obtained simulation results substantiate that the proposed ensemble model reduces the error value to minimum and enhances the accuracy. The computed results prove the effectiveness of the proposed ensemble neural network (ENN) model with respect to the considered error factors in comparison with that of the earlier models available in the literature. PMID:27034973

Experimentally assessing molecular dynamics sampling of the protein native state conformational distribution

PubMed Central

Hernández, Griselda; Anderson, Janet S.; LeMaster, David M.

2012-01-01

The acute sensitivity to conformation exhibited by amide hydrogen exchange reactivity provides a valuable test for the physical accuracy of model ensembles developed to represent the Boltzmann distribution of the protein native state. A number of molecular dynamics studies of ubiquitin have predicted a well-populated transition in the tight turn immediately preceding the primary site of proteasome-directed polyubiquitylation Lys 48. Amide exchange reactivity analysis demonstrates that this transition is 103-fold rarer than these predictions. More strikingly, for the most populated novel conformational basin predicted from a recent 1 ms MD simulation of bovine pancreatic trypsin inhibitor (at 13% of total), experimental hydrogen exchange data indicates a population below 10−6. The most sophisticated efforts to directly incorporate experimental constraints into the derivation of model protein ensembles have been applied to ubiquitin, as illustrated by three recently deposited studies (PDB codes 2NR2, 2K39 and 2KOX). Utilizing the extensive set of experimental NOE constraints, each of these three ensembles yields a modestly more accurate prediction of the exchange rates for the highly exposed amides than does a standard unconstrained molecular simulation. However, for the less frequently exposed amide hydrogens, the 2NR2 ensemble offers no improvement in rate predictions as compared to the unconstrained MD ensemble. The other two NMR-constrained ensembles performed markedly worse, either underestimating (2KOX) or overestimating (2K39) the extent of conformational diversity. PMID:22425325

Improving the accuracy of protein stability predictions with multistate design using a variety of backbone ensembles.

PubMed

Davey, James A; Chica, Roberto A

2014-05-01

Multistate computational protein design (MSD) with backbone ensembles approximating conformational flexibility can predict higher quality sequences than single-state design with a single fixed backbone. However, it is currently unclear what characteristics of backbone ensembles are required for the accurate prediction of protein sequence stability. In this study, we aimed to improve the accuracy of protein stability predictions made with MSD by using a variety of backbone ensembles to recapitulate the experimentally measured stability of 85 Streptococcal protein G domain β1 sequences. Ensembles tested here include an NMR ensemble as well as those generated by molecular dynamics (MD) simulations, by Backrub motions, and by PertMin, a new method that we developed involving the perturbation of atomic coordinates followed by energy minimization. MSD with the PertMin ensembles resulted in the most accurate predictions by providing the highest number of stable sequences in the top 25, and by correctly binning sequences as stable or unstable with the highest success rate (≈90%) and the lowest number of false positives. The performance of PertMin ensembles is due to the fact that their members closely resemble the input crystal structure and have low potential energy. Conversely, the NMR ensemble as well as those generated by MD simulations at 500 or 1000 K reduced prediction accuracy due to their low structural similarity to the crystal structure. The ensembles tested herein thus represent on- or off-target models of the native protein fold and could be used in future studies to design for desired properties other than stability. Copyright © 2013 Wiley Periodicals, Inc.

Refining multi-model projections of temperature extremes by evaluation against land-atmosphere coupling diagnostics

NASA Astrophysics Data System (ADS)

Sippel, Sebastian; Zscheischler, Jakob; Mahecha, Miguel D.; Orth, Rene; Reichstein, Markus; Vogel, Martha; Seneviratne, Sonia I.

2017-05-01

The Earth's land surface and the atmosphere are strongly interlinked through the exchange of energy and matter. This coupled behaviour causes various land-atmosphere feedbacks, and an insufficient understanding of these feedbacks contributes to uncertain global climate model projections. For example, a crucial role of the land surface in exacerbating summer heat waves in midlatitude regions has been identified empirically for high-impact heat waves, but individual climate models differ widely in their respective representation of land-atmosphere coupling. Here, we compile an ensemble of 54 combinations of observations-based temperature (T) and evapotranspiration (ET) benchmarking datasets and investigate coincidences of T anomalies with ET anomalies as a proxy for land-atmosphere interactions during periods of anomalously warm temperatures. First, we demonstrate that a large fraction of state-of-the-art climate models from the Coupled Model Intercomparison Project (CMIP5) archive produces systematically too frequent coincidences of high T anomalies with negative ET anomalies in midlatitude regions during the warm season and in several tropical regions year-round. These coincidences (high T, low ET) are closely related to the representation of temperature variability and extremes across the multi-model ensemble. Second, we derive a land-coupling constraint based on the spread of the T-ET datasets and consequently retain only a subset of CMIP5 models that produce a land-coupling behaviour that is compatible with these benchmark estimates. The constrained multi-model simulations exhibit more realistic temperature extremes of reduced magnitude in present climate in regions where models show substantial spread in T-ET coupling, i.e. biases in the model ensemble are consistently reduced. Also the multi-model simulations for the coming decades display decreased absolute temperature extremes in the constrained ensemble. On the other hand, the differences between projected and present-day climate extremes are affected to a lesser extent by the applied constraint, i.e. projected changes are reduced locally by around 0.5 to 1 °C - but this remains a local effect in regions that are highly sensitive to land-atmosphere coupling. In summary, our approach offers a physically consistent, diagnostic-based avenue to evaluate multi-model ensembles and subsequently reduce model biases in simulated and projected extreme temperatures.

Energy production advantage of independent subcell connection for multijunction photovoltaics

DOE PAGES

Warmann, Emily C.; Atwater, Harry A.

2016-07-07

Increasing the number of subcells in a multijunction or "spectrum splitting" photovoltaic improves efficiency under the standard AM1.5D design spectrum, but it can lower efficiency under spectra that differ from the standard if the subcells are connected electrically in series. Using atmospheric data and the SMARTS multiple scattering and absorption model, we simulated sunny day spectra over 1 year for five locations in the United States and determined the annual energy production of spectrum splitting ensembles with 2-20 subcells connected electrically in series or independently. While electrically independent subcells have a small efficiency advantage over series-connected ensembles under the AM1.5Dmore » design spectrum, they have a pronounced energy production advantage under realistic spectra over 1 year. Simulated energy production increased with subcell number for the electrically independent ensembles, but it peaked at 8-10 subcells for those connected in series. As a result, electrically independent ensembles with 20 subcells produce up to 27% more energy annually than the series-connected 20-subcell ensemble. This energy production advantage persists when clouds are accounted for.« less

Energy production advantage of independent subcell connection for multijunction photovoltaics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Warmann, Emily C.; Atwater, Harry A.

Increasing the number of subcells in a multijunction or "spectrum splitting" photovoltaic improves efficiency under the standard AM1.5D design spectrum, but it can lower efficiency under spectra that differ from the standard if the subcells are connected electrically in series. Using atmospheric data and the SMARTS multiple scattering and absorption model, we simulated sunny day spectra over 1 year for five locations in the United States and determined the annual energy production of spectrum splitting ensembles with 2-20 subcells connected electrically in series or independently. While electrically independent subcells have a small efficiency advantage over series-connected ensembles under the AM1.5Dmore » design spectrum, they have a pronounced energy production advantage under realistic spectra over 1 year. Simulated energy production increased with subcell number for the electrically independent ensembles, but it peaked at 8-10 subcells for those connected in series. As a result, electrically independent ensembles with 20 subcells produce up to 27% more energy annually than the series-connected 20-subcell ensemble. This energy production advantage persists when clouds are accounted for.« less

Multi-model ensemble simulations of olive pollen distribution in Europe in 2014: current status and outlook

NASA Astrophysics Data System (ADS)

Sofiev, Mikhail; Ritenberga, Olga; Albertini, Roberto; Arteta, Joaquim; Belmonte, Jordina; Geller Bernstein, Carmi; Bonini, Maira; Celenk, Sevcan; Damialis, Athanasios; Douros, John; Elbern, Hendrik; Friese, Elmar; Galan, Carmen; Oliver, Gilles; Hrga, Ivana; Kouznetsov, Rostislav; Krajsek, Kai; Magyar, Donat; Parmentier, Jonathan; Plu, Matthieu; Prank, Marje; Robertson, Lennart; Steensen, Birthe Marie; Thibaudon, Michel; Segers, Arjo; Stepanovich, Barbara; Valdebenito, Alvaro M.; Vira, Julius; Vokou, Despoina

2017-10-01

The paper presents the first modelling experiment of the European-scale olive pollen dispersion, analyses the quality of the predictions, and outlines the research needs. A 6-model strong ensemble of Copernicus Atmospheric Monitoring Service (CAMS) was run throughout the olive season of 2014, computing the olive pollen distribution. The simulations have been compared with observations in eight countries, which are members of the European Aeroallergen Network (EAN). Analysis was performed for individual models, the ensemble mean and median, and for a dynamically optimised combination of the ensemble members obtained via fusion of the model predictions with observations. The models, generally reproducing the olive season of 2014, showed noticeable deviations from both observations and each other. In particular, the season was reported to start too early by 8 days, but for some models the error mounted to almost 2 weeks. For the end of the season, the disagreement between the models and the observations varied from a nearly perfect match up to 2 weeks too late. A series of sensitivity studies carried out to understand the origin of the disagreements revealed the crucial role of ambient temperature and consistency of its representation by the meteorological models and heat-sum-based phenological model. In particular, a simple correction to the heat-sum threshold eliminated the shift of the start of the season but its validity in other years remains to be checked. The short-term features of the concentration time series were reproduced better, suggesting that the precipitation events and cold/warm spells, as well as the large-scale transport, were represented rather well. Ensemble averaging led to more robust results. The best skill scores were obtained with data fusion, which used the previous days' observations to identify the optimal weighting coefficients of the individual model forecasts. Such combinations were tested for the forecasting period up to 4 days and shown to remain nearly optimal throughout the whole period.

Systems and methods for modeling and analyzing networks

DOEpatents

Hill, Colin C; Church, Bruce W; McDonagh, Paul D; Khalil, Iya G; Neyarapally, Thomas A; Pitluk, Zachary W

2013-10-29

The systems and methods described herein utilize a probabilistic modeling framework for reverse engineering an ensemble of causal models, from data and then forward simulating the ensemble of models to analyze and predict the behavior of the network. In certain embodiments, the systems and methods described herein include data-driven techniques for developing causal models for biological networks. Causal network models include computational representations of the causal relationships between independent variables such as a compound of interest and dependent variables such as measured DNA alterations, changes in mRNA, protein, and metabolites to phenotypic readouts of efficacy and toxicity.

Internal protein motions in molecular-dynamics simulations of Bragg and diffuse X-ray scattering.

PubMed

Wall, Michael E

2018-03-01

Molecular-dynamics (MD) simulations of Bragg and diffuse X-ray scattering provide a means of obtaining experimentally validated models of protein conformational ensembles. This paper shows that compared with a single periodic unit-cell model, the accuracy of simulating diffuse scattering is increased when the crystal is modeled as a periodic supercell consisting of a 2 × 2 × 2 layout of eight unit cells. The MD simulations capture the general dependence of correlations on the separation of atoms. There is substantial agreement between the simulated Bragg reflections and the crystal structure; there are local deviations, however, indicating both the limitation of using a single structure to model disordered regions of the protein and local deviations of the average structure away from the crystal structure. Although it was anticipated that a simulation of longer duration might be required to achieve maximal agreement of the diffuse scattering calculation with the data using the supercell model, only a microsecond is required, the same as for the unit cell. Rigid protein motions only account for a minority fraction of the variation in atom positions from the simulation. The results indicate that protein crystal dynamics may be dominated by internal motions rather than packing interactions, and that MD simulations can be combined with Bragg and diffuse X-ray scattering to model the protein conformational ensemble.

Internal protein motions in molecular-dynamics simulations of Bragg and diffuse X-ray scattering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wall, Michael E.

Molecular-dynamics (MD) simulations of Bragg and diffuse X-ray scattering provide a means of obtaining experimentally validated models of protein conformational ensembles. This paper shows that compared with a single periodic unit-cell model, the accuracy of simulating diffuse scattering is increased when the crystal is modeled as a periodic supercell consisting of a 2 × 2 × 2 layout of eight unit cells. The MD simulations capture the general dependence of correlations on the separation of atoms. There is substantial agreement between the simulated Bragg reflections and the crystal structure; there are local deviations, however, indicating both the limitation of using a single structuremore » to model disordered regions of the protein and local deviations of the average structure away from the crystal structure. Although it was anticipated that a simulation of longer duration might be required to achieve maximal agreement of the diffuse scattering calculation with the data using the supercell model, only a microsecond is required, the same as for the unit cell. Rigid protein motions only account for a minority fraction of the variation in atom positions from the simulation. The results indicate that protein crystal dynamics may be dominated by internal motions rather than packing interactions, and that MD simulations can be combined with Bragg and diffuse X-ray scattering to model the protein conformational ensemble.« less

Internal protein motions in molecular-dynamics simulations of Bragg and diffuse X-ray scattering

DOE PAGES

Wall, Michael E.

2018-01-25

Molecular-dynamics (MD) simulations of Bragg and diffuse X-ray scattering provide a means of obtaining experimentally validated models of protein conformational ensembles. This paper shows that compared with a single periodic unit-cell model, the accuracy of simulating diffuse scattering is increased when the crystal is modeled as a periodic supercell consisting of a 2 × 2 × 2 layout of eight unit cells. The MD simulations capture the general dependence of correlations on the separation of atoms. There is substantial agreement between the simulated Bragg reflections and the crystal structure; there are local deviations, however, indicating both the limitation of using a single structuremore » to model disordered regions of the protein and local deviations of the average structure away from the crystal structure. Although it was anticipated that a simulation of longer duration might be required to achieve maximal agreement of the diffuse scattering calculation with the data using the supercell model, only a microsecond is required, the same as for the unit cell. Rigid protein motions only account for a minority fraction of the variation in atom positions from the simulation. The results indicate that protein crystal dynamics may be dominated by internal motions rather than packing interactions, and that MD simulations can be combined with Bragg and diffuse X-ray scattering to model the protein conformational ensemble.« less

A further assessment of vegetation feedback on decadal Sahel rainfall variability

NASA Astrophysics Data System (ADS)

Kucharski, Fred; Zeng, Ning; Kalnay, Eugenia

2013-03-01

The effect of vegetation feedback on decadal-scale Sahel rainfall variability is analyzed using an ensemble of climate model simulations in which the atmospheric general circulation model ICTPAGCM ("SPEEDY") is coupled to the dynamic vegetation model VEGAS to represent feedbacks from surface albedo change and evapotranspiration, forced externally by observed sea surface temperature (SST) changes. In the control experiment, where the full vegetation feedback is included, the ensemble is consistent with the observed decadal rainfall variability, with a forced component 60 % of the observed variability. In a sensitivity experiment where climatological vegetation cover and albedo are prescribed from the control experiment, the ensemble of simulations is not consistent with the observations because of strongly reduced amplitude of decadal rainfall variability, and the forced component drops to 35 % of the observed variability. The decadal rainfall variability is driven by SST forcing, but significantly enhanced by land-surface feedbacks. Both, local evaporation and moisture flux convergence changes are important for the total rainfall response. Also the internal decadal variability across the ensemble members (not SST-forced) is much stronger in the control experiment compared with the one where vegetation cover and albedo are prescribed. It is further shown that this positive vegetation feedback is physically related to the albedo feedback, supporting the Charney hypothesis.

Atomistic structural ensemble refinement reveals non-native structure stabilizes a sub-millisecond folding intermediate of CheY

DOE PAGES

Shi, Jade; Nobrega, R. Paul; Schwantes, Christian; ...

2017-03-08

The dynamics of globular proteins can be described in terms of transitions between a folded native state and less-populated intermediates, or excited states, which can play critical roles in both protein folding and function. Excited states are by definition transient species, and therefore are difficult to characterize using current experimental techniques. We report an atomistic model of the excited state ensemble of a stabilized mutant of an extensively studied flavodoxin fold protein CheY. We employed a hybrid simulation and experimental approach in which an aggregate 42 milliseconds of all-atom molecular dynamics were used as an informative prior for the structuremore » of the excited state ensemble. The resulting prior was then refined against small-angle X-ray scattering (SAXS) data employing an established method (EROS). The most striking feature of the resulting excited state ensemble was an unstructured N-terminus stabilized by non-native contacts in a conformation that is topologically simpler than the native state. We then predict incisive single molecule FRET experiments, using these results, as a means of model validation. Our study demonstrates the paradigm of uniting simulation and experiment in a statistical model to study the structure of protein excited states and rationally design validating experiments.« less

Atomistic structural ensemble refinement reveals non-native structure stabilizes a sub-millisecond folding intermediate of CheY

NASA Astrophysics Data System (ADS)

Shi, Jade; Nobrega, R. Paul; Schwantes, Christian; Kathuria, Sagar V.; Bilsel, Osman; Matthews, C. Robert; Lane, T. J.; Pande, Vijay S.

2017-03-01

The dynamics of globular proteins can be described in terms of transitions between a folded native state and less-populated intermediates, or excited states, which can play critical roles in both protein folding and function. Excited states are by definition transient species, and therefore are difficult to characterize using current experimental techniques. Here, we report an atomistic model of the excited state ensemble of a stabilized mutant of an extensively studied flavodoxin fold protein CheY. We employed a hybrid simulation and experimental approach in which an aggregate 42 milliseconds of all-atom molecular dynamics were used as an informative prior for the structure of the excited state ensemble. This prior was then refined against small-angle X-ray scattering (SAXS) data employing an established method (EROS). The most striking feature of the resulting excited state ensemble was an unstructured N-terminus stabilized by non-native contacts in a conformation that is topologically simpler than the native state. Using these results, we then predict incisive single molecule FRET experiments as a means of model validation. This study demonstrates the paradigm of uniting simulation and experiment in a statistical model to study the structure of protein excited states and rationally design validating experiments.

The role of internal variability for decadal carbon uptake anomalies in the Southern Ocean

NASA Astrophysics Data System (ADS)

Spring, Aaron; Hi, Hongmei; Ilyina, Tatiana

2017-04-01

The Southern Ocean is a major sink for anthropogenic CO2 emissions and hence it plays an essential role in modulating global carbon cycle and climate change. Previous studies based on observations (e.g., Landschützer et al. 2015) show pronounced decadal variations of carbon uptake in the Southern Ocean in recent decades and this variability is largely driven by internal climate variability. However, due to limited ensemble size of simulations, the variability of this important ocean sink is still poorly assessed by the state-of-the-art earth system models (ESMs). To assess the internal variability of carbon sink in the Southern Ocean, we use a large ensemble of 100 member simulations based on the Max Planck Institute-ESM (MPI-ESM). The large ensemble of simulations is generated via perturbed initial conditions in the ocean and atmosphere. Each ensemble member includes a historical simulation from 1850 to 2005 with an extension until 2100 under Representative Concentration Pathway (RCP) 4.5 future projections. Here we use model simulations from 1980-2015 to compare with available observation-based dataset. We found several ensemble members showing decadal decreasing trends in the carbon sink, which are similar to the trend shown in observations. This result suggests that MPI-ESM large ensemble simulations are able to reproduce decadal variation of carbon sink in the Southern Ocean. Moreover, the decreasing trends of Southern Ocean carbon sink in MPI-ESM are mainly contributed by region between 50-60°S. To understand the internal variability of the air-sea carbon fluxes in the Southern Ocean, we further investigate the variability of underlying processes, such as physical climate variability and ocean biological processes. Our results indicate two main drivers for the decadal decreasing trend of carbon sink: i) Intensified winds enhance upwelling of old carbon-rich waters, this leads to increase of the ocean surface pCO2; ii) Primary production is reduced in area from 50-60°S, probably induced by reduced euphotic water column stability; therefore the biological drawdown of ocean surface pCO2 is weakened accordingly and hence the ocean is in favor of carbon outgassing. Landschützer, et al. (2015): The reinvigoration of the Southern Ocean carbon sink, Science, 349, 1221-1224.

The Impact of Model and Rainfall Forcing Errors on Characterizing Soil Moisture Uncertainty in Land Surface Modeling

NASA Technical Reports Server (NTRS)

Maggioni, V.; Anagnostou, E. N.; Reichle, R. H.

2013-01-01

The contribution of rainfall forcing errors relative to model (structural and parameter) uncertainty in the prediction of soil moisture is investigated by integrating the NASA Catchment Land Surface Model (CLSM), forced with hydro-meteorological data, in the Oklahoma region. Rainfall-forcing uncertainty is introduced using a stochastic error model that generates ensemble rainfall fields from satellite rainfall products. The ensemble satellite rain fields are propagated through CLSM to produce soil moisture ensembles. Errors in CLSM are modeled with two different approaches: either by perturbing model parameters (representing model parameter uncertainty) or by adding randomly generated noise (representing model structure and parameter uncertainty) to the model prognostic variables. Our findings highlight that the method currently used in the NASA GEOS-5 Land Data Assimilation System to perturb CLSM variables poorly describes the uncertainty in the predicted soil moisture, even when combined with rainfall model perturbations. On the other hand, by adding model parameter perturbations to rainfall forcing perturbations, a better characterization of uncertainty in soil moisture simulations is observed. Specifically, an analysis of the rank histograms shows that the most consistent ensemble of soil moisture is obtained by combining rainfall and model parameter perturbations. When rainfall forcing and model prognostic perturbations are added, the rank histogram shows a U-shape at the domain average scale, which corresponds to a lack of variability in the forecast ensemble. The more accurate estimation of the soil moisture prediction uncertainty obtained by combining rainfall and parameter perturbations is encouraging for the application of this approach in ensemble data assimilation systems.

Testing a multi-malaria-model ensemble against 30 years of data in the Kenyan highlands

PubMed Central

2014-01-01

Background Multi-model ensembles could overcome challenges resulting from uncertainties in models’ initial conditions, parameterization and structural imperfections. They could also quantify in a probabilistic way uncertainties in future climatic conditions and their impacts. Methods A four-malaria-model ensemble was implemented to assess the impact of long-term changes in climatic conditions on Plasmodium falciparum malaria morbidity observed in Kericho, in the highlands of Western Kenya, over the period 1979–2009. Input data included quality controlled temperature and rainfall records gathered at a nearby weather station over the historical periods 1979–2009 and 1980–2009, respectively. Simulations included models’ sensitivities to changes in sets of parameters and analysis of non-linear changes in the mean duration of host’s infectivity to vectors due to increased resistance to anti-malarial drugs. Results The ensemble explained from 32 to 38% of the variance of the observed P. falciparum malaria incidence. Obtained R2-values were above the results achieved with individual model simulation outputs. Up to 18.6% of the variance of malaria incidence could be attributed to the +0.19 to +0.25°C per decade significant long-term linear trend in near-surface air temperatures. On top of this 18.6%, at least 6% of the variance of malaria incidence could be related to the increased resistance to anti-malarial drugs. Ensemble simulations also suggest that climatic conditions have likely been less favourable to malaria transmission in Kericho in recent years. Conclusions Long-term changes in climatic conditions and non-linear changes in the mean duration of host’s infectivity are synergistically driving the increasing incidence of P. falciparum malaria in the Kenyan highlands. User-friendly, online-downloadable, open source mathematical tools, such as the one presented here, could improve decision-making processes of local and regional health authorities. PMID:24885824

Evidence for Limited Indirect Aerosol Forcing in Stratocumulus

NASA Technical Reports Server (NTRS)

Ackerman, Andrew S.; Toon, O. B.; Stevens, D. E.

2003-01-01

Increases in cloud cover and condensed water contribute more than half of the indirect aerosol effect in an ensemble of general circulation model (GCM) simulations estimating the global radiative forcing of anthropogenic aerosols. We use detailed simulations of marine stratocumulus clouds and airborne observations of ship tracks to show that increases in cloud cover and condensed water in reality are far less than represented by the GCM ensemble. Our results offer an explanation for recent simplified inverse climate calculations indicating that indirect aerosol effects are greatly exaggerated in GCMs.

Watershed scale response to climate change--Yampa River Basin, Colorado

USGS Publications Warehouse

Hay, Lauren E.; Battaglin, William A.; Markstrom, Steven L.

2012-01-01

General Circulation Model simulations of future climate through 2099 project a wide range of possible scenarios. To determine the sensitivity and potential effect of long-term climate change on the freshwater resources of the United States, the U.S. Geological Survey Global Change study, "An integrated watershed scale response to global change in selected basins across the United States" was started in 2008. The long-term goal of this national study is to provide the foundation for hydrologically based climate change studies across the nation. Fourteen basins for which the Precipitation Runoff Modeling System has been calibrated and evaluated were selected as study sites. Precipitation Runoff Modeling System is a deterministic, distributed parameter watershed model developed to evaluate the effects of various combinations of precipitation, temperature, and land use on streamflow and general basin hydrology. Output from five General Circulation Model simulations and four emission scenarios were used to develop an ensemble of climate-change scenarios for each basin. These ensembles were simulated with the corresponding Precipitation Runoff Modeling System model. This fact sheet summarizes the hydrologic effect and sensitivity of the Precipitation Runoff Modeling System simulations to climate change for the Yampa River Basin at Steamboat Springs, Colorado.

Multi-criterion model ensemble of CMIP5 surface air temperature over China

NASA Astrophysics Data System (ADS)

Yang, Tiantian; Tao, Yumeng; Li, Jingjing; Zhu, Qian; Su, Lu; He, Xiaojia; Zhang, Xiaoming

2018-05-01

The global circulation models (GCMs) are useful tools for simulating climate change, projecting future temperature changes, and therefore, supporting the preparation of national climate adaptation plans. However, different GCMs are not always in agreement with each other over various regions. The reason is that GCMs' configurations, module characteristics, and dynamic forcings vary from one to another. Model ensemble techniques are extensively used to post-process the outputs from GCMs and improve the variability of model outputs. Root-mean-square error (RMSE), correlation coefficient (CC, or R) and uncertainty are commonly used statistics for evaluating the performances of GCMs. However, the simultaneous achievements of all satisfactory statistics cannot be guaranteed in using many model ensemble techniques. In this paper, we propose a multi-model ensemble framework, using a state-of-art evolutionary multi-objective optimization algorithm (termed MOSPD), to evaluate different characteristics of ensemble candidates and to provide comprehensive trade-off information for different model ensemble solutions. A case study of optimizing the surface air temperature (SAT) ensemble solutions over different geographical regions of China is carried out. The data covers from the period of 1900 to 2100, and the projections of SAT are analyzed with regard to three different statistical indices (i.e., RMSE, CC, and uncertainty). Among the derived ensemble solutions, the trade-off information is further analyzed with a robust Pareto front with respect to different statistics. The comparison results over historical period (1900-2005) show that the optimized solutions are superior over that obtained simple model average, as well as any single GCM output. The improvements of statistics are varying for different climatic regions over China. Future projection (2006-2100) with the proposed ensemble method identifies that the largest (smallest) temperature changes will happen in the South Central China (the Inner Mongolia), the North Eastern China (the South Central China), and the North Western China (the South Central China), under RCP 2.6, RCP 4.5, and RCP 8.5 scenarios, respectively.

Ensemble of surrogates-based optimization for identifying an optimal surfactant-enhanced aquifer remediation strategy at heterogeneous DNAPL-contaminated sites

NASA Astrophysics Data System (ADS)

Jiang, Xue; Lu, Wenxi; Hou, Zeyu; Zhao, Haiqing; Na, Jin

2015-11-01

The purpose of this study was to identify an optimal surfactant-enhanced aquifer remediation (SEAR) strategy for aquifers contaminated by dense non-aqueous phase liquid (DNAPL) based on an ensemble of surrogates-based optimization technique. A saturated heterogeneous medium contaminated by nitrobenzene was selected as case study. A new kind of surrogate-based SEAR optimization employing an ensemble surrogate (ES) model together with a genetic algorithm (GA) is presented. Four methods, namely radial basis function artificial neural network (RBFANN), kriging (KRG), support vector regression (SVR), and kernel extreme learning machines (KELM), were used to create four individual surrogate models, which were then compared. The comparison enabled us to select the two most accurate models (KELM and KRG) to establish an ES model of the SEAR simulation model, and the developed ES model as well as these four stand-alone surrogate models was compared. The results showed that the average relative error of the average nitrobenzene removal rates between the ES model and the simulation model for 20 test samples was 0.8%, which is a high approximation accuracy, and which indicates that the ES model provides more accurate predictions than the stand-alone surrogate models. Then, a nonlinear optimization model was formulated for the minimum cost, and the developed ES model was embedded into this optimization model as a constrained condition. Besides, GA was used to solve the optimization model to provide the optimal SEAR strategy. The developed ensemble surrogate-optimization approach was effective in seeking a cost-effective SEAR strategy for heterogeneous DNAPL-contaminated sites. This research is expected to enrich and develop the theoretical and technical implications for the analysis of remediation strategy optimization of DNAPL-contaminated aquifers.

Ensemble of Surrogates-based Optimization for Identifying an Optimal Surfactant-enhanced Aquifer Remediation Strategy at Heterogeneous DNAPL-contaminated Sites

NASA Astrophysics Data System (ADS)

Lu, W., Sr.; Xin, X.; Luo, J.; Jiang, X.; Zhang, Y.; Zhao, Y.; Chen, M.; Hou, Z.; Ouyang, Q.

2015-12-01

The purpose of this study was to identify an optimal surfactant-enhanced aquifer remediation (SEAR) strategy for aquifers contaminated by dense non-aqueous phase liquid (DNAPL) based on an ensemble of surrogates-based optimization technique. A saturated heterogeneous medium contaminated by nitrobenzene was selected as case study. A new kind of surrogate-based SEAR optimization employing an ensemble surrogate (ES) model together with a genetic algorithm (GA) is presented. Four methods, namely radial basis function artificial neural network (RBFANN), kriging (KRG), support vector regression (SVR), and kernel extreme learning machines (KELM), were used to create four individual surrogate models, which were then compared. The comparison enabled us to select the two most accurate models (KELM and KRG) to establish an ES model of the SEAR simulation model, and the developed ES model as well as these four stand-alone surrogate models was compared. The results showed that the average relative error of the average nitrobenzene removal rates between the ES model and the simulation model for 20 test samples was 0.8%, which is a high approximation accuracy, and which indicates that the ES model provides more accurate predictions than the stand-alone surrogate models. Then, a nonlinear optimization model was formulated for the minimum cost, and the developed ES model was embedded into this optimization model as a constrained condition. Besides, GA was used to solve the optimization model to provide the optimal SEAR strategy. The developed ensemble surrogate-optimization approach was effective in seeking a cost-effective SEAR strategy for heterogeneous DNAPL-contaminated sites. This research is expected to enrich and develop the theoretical and technical implications for the analysis of remediation strategy optimization of DNAPL-contaminated aquifers.

Does extreme precipitation intensity depend on the emissions scenario?

NASA Astrophysics Data System (ADS)

Pendergrass, Angeline; Lehner, Flavio; Sanderson, Benjamin; Xu, Yangyang

2016-04-01

The rate of increase of global-mean precipitation per degree surface temperature increase differs for greenhouse gas and aerosol forcings, and therefore depends on the change in composition of the emissions scenario used to drive climate model simulations for the remainder of the century. We investigate whether or not this is also the case for extreme precipitation simulated by a multi-model ensemble driven by four realistic emissions scenarios. In most models, the rate of increase of maximum annual daily rainfall per degree global warming in the multi-model ensemble is statistically indistinguishable across the four scenarios, whether this extreme precipitation is calculated globally, over all land, or over extra-tropical land. These results indicate that, in most models, extreme precipitation depends on the total amount of warming and does not depend on emissions scenario, in contrast to mean precipitation.

Ensemble Sampling vs. Time Sampling in Molecular Dynamics Simulations of Thermal Conductivity

DOE PAGES

Gordiz, Kiarash; Singh, David J.; Henry, Asegun

2015-01-29

In this report we compare time sampling and ensemble averaging as two different methods available for phase space sampling. For the comparison, we calculate thermal conductivities of solid argon and silicon structures, using equilibrium molecular dynamics. We introduce two different schemes for the ensemble averaging approach, and show that both can reduce the total simulation time as compared to time averaging. It is also found that velocity rescaling is an efficient mechanism for phase space exploration. Although our methodology is tested using classical molecular dynamics, the ensemble generation approaches may find their greatest utility in computationally expensive simulations such asmore » first principles molecular dynamics. For such simulations, where each time step is costly, time sampling can require long simulation times because each time step must be evaluated sequentially and therefore phase space averaging is achieved through sequential operations. On the other hand, with ensemble averaging, phase space sampling can be achieved through parallel operations, since each ensemble is independent. For this reason, particularly when using massively parallel architectures, ensemble sampling can result in much shorter simulation times and exhibits similar overall computational effort.« less

Variability of North Atlantic Hurricane Frequency in a Large Ensemble of High-Resolution Climate Simulations

NASA Astrophysics Data System (ADS)

Mei, W.; Kamae, Y.; Xie, S. P.

2017-12-01

Forced and internal variability of North Atlantic hurricane frequency during 1951-2010 is studied using a large ensemble of climate simulations by a 60-km atmospheric general circulation model that is forced by observed sea surface temperatures (SSTs). The simulations well capture the interannual-to-decadal variability of hurricane frequency in best track data, and further suggest a possible underestimate of hurricane counts in the current best track data prior to 1966 when satellite measurements were unavailable. A genesis potential index (GPI) averaged over the Main Development Region (MDR) accounts for more than 80% of the forced variations in hurricane frequency, with potential intensity and vertical wind shear being the dominant factors. In line with previous studies, the difference between MDR SST and tropical mean SST is a simple but useful predictor; a one-degree increase in this SST difference produces 7.1±1.4 more hurricanes. The hurricane frequency also exhibits internal variability that is comparable in magnitude to the interannual variability. The 100-member ensemble allows us to address the following important questions: (1) Are the observations equivalent to one realization of such a large ensemble? (2) How many ensemble members are needed to reproduce the variability in observations and in the forced component of the simulations? The sources of the internal variability in hurricane frequency will be identified and discussed. The results provide an explanation for the relatively week correlation ( 0.6) between MDR GPI and hurricane frequency on interannual timescales in observations.

Evaluation of an ensemble of genetic models for prediction of a quantitative trait.

PubMed

Milton, Jacqueline N; Steinberg, Martin H; Sebastiani, Paola

2014-01-01

Many genetic markers have been shown to be associated with common quantitative traits in genome-wide association studies. Typically these associated genetic markers have small to modest effect sizes and individually they explain only a small amount of the variability of the phenotype. In order to build a genetic prediction model without fitting a multiple linear regression model with possibly hundreds of genetic markers as predictors, researchers often summarize the joint effect of risk alleles into a genetic score that is used as a covariate in the genetic prediction model. However, the prediction accuracy can be highly variable and selecting the optimal number of markers to be included in the genetic score is challenging. In this manuscript we present a strategy to build an ensemble of genetic prediction models from data and we show that the ensemble-based method makes the challenge of choosing the number of genetic markers more amenable. Using simulated data with varying heritability and number of genetic markers, we compare the predictive accuracy and inclusion of true positive and false positive markers of a single genetic prediction model and our proposed ensemble method. The results show that the ensemble of genetic models tends to include a larger number of genetic variants than a single genetic model and it is more likely to include all of the true genetic markers. This increased sensitivity is obtained at the price of a lower specificity that appears to minimally affect the predictive accuracy of the ensemble.

Improving precipitation forecast with hybrid 3DVar and time-lagged ensembles in a heavy rainfall event

NASA Astrophysics Data System (ADS)

Wang, Yuanbing; Min, Jinzhong; Chen, Yaodeng; Huang, Xiang-Yu; Zeng, Mingjian; Li, Xin

2017-01-01

This study evaluates the performance of three-dimensional variational (3DVar) and a hybrid data assimilation system using time-lagged ensembles in a heavy rainfall event. The time-lagged ensembles are constructed by sampling from a moving time window of 3 h along a model trajectory, which is economical and easy to implement. The proposed hybrid data assimilation system introduces flow-dependent error covariance derived from time-lagged ensemble into variational cost function without significantly increasing computational cost. Single observation tests are performed to document characteristic of the hybrid system. The sensitivity of precipitation forecasts to ensemble covariance weight and localization scale is investigated. Additionally, the TLEn-Var is evaluated and compared to the ETKF(ensemble transformed Kalman filter)-based hybrid assimilation within a continuously cycling framework, through which new hybrid analyses are produced every 3 h over 10 days. The 24 h accumulated precipitation, moisture, wind are analyzed between 3DVar and the hybrid assimilation using time-lagged ensembles. Results show that model states and precipitation forecast skill are improved by the hybrid assimilation using time-lagged ensembles compared with 3DVar. Simulation of the precipitable water and structure of the wind are also improved. Cyclonic wind increments are generated near the rainfall center, leading to an improved precipitation forecast. This study indicates that the hybrid data assimilation using time-lagged ensembles seems like a viable alternative or supplement in the complex models for some weather service agencies that have limited computing resources to conduct large size of ensembles.

Conservative strategy-based ensemble surrogate model for optimal groundwater remediation design at DNAPLs-contaminated sites

NASA Astrophysics Data System (ADS)

Ouyang, Qi; Lu, Wenxi; Lin, Jin; Deng, Wenbing; Cheng, Weiguo

2017-08-01

The surrogate-based simulation-optimization techniques are frequently used for optimal groundwater remediation design. When this technique is used, surrogate errors caused by surrogate-modeling uncertainty may lead to generation of infeasible designs. In this paper, a conservative strategy that pushes the optimal design into the feasible region was used to address surrogate-modeling uncertainty. In addition, chance-constrained programming (CCP) was adopted to compare with the conservative strategy in addressing this uncertainty. Three methods, multi-gene genetic programming (MGGP), Kriging (KRG) and support vector regression (SVR), were used to construct surrogate models for a time-consuming multi-phase flow model. To improve the performance of the surrogate model, ensemble surrogates were constructed based on combinations of different stand-alone surrogate models. The results show that: (1) the surrogate-modeling uncertainty was successfully addressed by the conservative strategy, which means that this method is promising for addressing surrogate-modeling uncertainty. (2) The ensemble surrogate model that combines MGGP with KRG showed the most favorable performance, which indicates that this ensemble surrogate can utilize both stand-alone surrogate models to improve the performance of the surrogate model.

Can the combined use of an ensemble based modelling approach and the analysis of measured meteorological trends lead to increased confidence in climate change impact assessments?

NASA Astrophysics Data System (ADS)

Gädeke, Anne; Koch, Hagen; Pohle, Ina; Grünewald, Uwe

2014-05-01

In anthropogenically heavily impacted river catchments, such as the Lusatian river catchments of Spree and Schwarze Elster (Germany), the robust assessment of possible impacts of climate change on the regional water resources is of high relevance for the development and implementation of suitable climate change adaptation strategies. Large uncertainties inherent in future climate projections may, however, reduce the willingness of regional stakeholder to develop and implement suitable adaptation strategies to climate change. This study provides an overview of different possibilities to consider uncertainties in climate change impact assessments by means of (1) an ensemble based modelling approach and (2) the incorporation of measured and simulated meteorological trends. The ensemble based modelling approach consists of the meteorological output of four climate downscaling approaches (DAs) (two dynamical and two statistical DAs (113 realisations in total)), which drive different model configurations of two conceptually different hydrological models (HBV-light and WaSiM-ETH). As study area serve three near natural subcatchments of the Spree and Schwarze Elster river catchments. The objective of incorporating measured meteorological trends into the analysis was twofold: measured trends can (i) serve as a mean to validate the results of the DAs and (ii) be regarded as harbinger for the future direction of change. Moreover, regional stakeholders seem to have more trust in measurements than in modelling results. In order to evaluate the nature of the trends, both gradual (Mann-Kendall test) and step changes (Pettitt test) are considered as well as both temporal and spatial correlations in the data. The results of the ensemble based modelling chain show that depending on the type (dynamical or statistical) of DA used, opposing trends in precipitation, actual evapotranspiration and discharge are simulated in the scenario period (2031-2060). While the statistical DAs simulate a strong decrease in future long term annual precipitation, the dynamical DAs simulate a tendency towards increasing precipitation. The trend analysis suggests that precipitation has not changed significantly during the period 1961-2006. Therefore, the decrease simulated by the statistical DAs should be interpreted as a rather dry future projection. Concerning air temperature, measured and simulated trends agree on a positive trend. Also the uncertainty related to the hydrological model within the climate change modelling chain is comparably low when long-term averages are considered but increases significantly during extreme events. This proposed framework of combining an ensemble based modelling approach with measured trend analysis is a promising approach for regional stakeholders to gain more confidence into the final results of climate change impact assessments. However, climate change impact assessments will remain highly uncertain. Thus, flexible adaptation strategies need to be developed which should not only consider climate but also other aspects of global change.

Stress-stress fluctuation formula for elastic constants in the NPT ensemble

NASA Astrophysics Data System (ADS)

Lips, Dominik; Maass, Philipp

2018-05-01

Several fluctuation formulas are available for calculating elastic constants from equilibrium correlation functions in computer simulations, but the ones available for simulations at constant pressure exhibit slow convergence properties and cannot be used for the determination of local elastic constants. To overcome these drawbacks, we derive a stress-stress fluctuation formula in the NPT ensemble based on known expressions in the NVT ensemble. We validate the formula in the NPT ensemble by calculating elastic constants for the simple nearest-neighbor Lennard-Jones crystal and by comparing the results with those obtained in the NVT ensemble. For both local and bulk elastic constants we find an excellent agreement between the simulated data in the two ensembles. To demonstrate the usefulness of the formula, we apply it to determine the elastic constants of a simulated lipid bilayer.

The Influence of Internal Model Variability in GEOS-5 on Interhemispheric CO2 Exchange

NASA Technical Reports Server (NTRS)

Allen, Melissa; Erickson, David; Kendall, Wesley; Fu, Joshua; Ott, Leslie; Pawson, Steven

2012-01-01

An ensemble of eight atmospheric CO2 simulations was completed employing the National Aeronautics and Space Administration (NASA) Goddard Earth Observation System, Version 5 (GEOS-5) for the years 2000-2001, each with initial meteorological conditions corresponding to different days in January 2000 to examine internal model variability. Globally, the model runs show similar concentrations of CO2 for the two years, but in regions of high CO2 concentrations due to fossil fuel emissions, large differences among different model simulations appear. The phasing and amplitude of the CO2 cycle at Northern Hemisphere locations in all of the ensemble members is similar to that of surface observations. In several southern hemisphere locations, however, some of the GEOS-5 model CO2 cycles are out of phase by as much as four months, and large variations occur between the ensemble members. This result indicates that there is large sensitivity to transport in these regions. The differences vary by latitude-the most extreme differences in the Tropics and the least at the South Pole. Examples of these differences among the ensemble members with regard to CO2 uptake and respiration of the terrestrial biosphere and CO2 emissions due to fossil fuel emissions are shown at Cape Grim, Tasmania. Integration-based flow analysis of the atmospheric circulation in the model runs shows widely varying paths of flow into the Tasmania region among the models including sources from North America, South America, South Africa, South Asia and Indonesia. These results suggest that interhemispheric transport can be strongly influenced by internal model variability.

Girsanov reweighting for path ensembles and Markov state models

NASA Astrophysics Data System (ADS)

Donati, L.; Hartmann, C.; Keller, B. G.

2017-06-01

The sensitivity of molecular dynamics on changes in the potential energy function plays an important role in understanding the dynamics and function of complex molecules. We present a method to obtain path ensemble averages of a perturbed dynamics from a set of paths generated by a reference dynamics. It is based on the concept of path probability measure and the Girsanov theorem, a result from stochastic analysis to estimate a change of measure of a path ensemble. Since Markov state models (MSMs) of the molecular dynamics can be formulated as a combined phase-space and path ensemble average, the method can be extended to reweight MSMs by combining it with a reweighting of the Boltzmann distribution. We demonstrate how to efficiently implement the Girsanov reweighting in a molecular dynamics simulation program by calculating parts of the reweighting factor "on the fly" during the simulation, and we benchmark the method on test systems ranging from a two-dimensional diffusion process and an artificial many-body system to alanine dipeptide and valine dipeptide in implicit and explicit water. The method can be used to study the sensitivity of molecular dynamics on external perturbations as well as to reweight trajectories generated by enhanced sampling schemes to the original dynamics.

Ensemble Simulation of Sierra Nevada Snowmelt Runoff Using a Regional Climate Modeling Approach

NASA Astrophysics Data System (ADS)

Holtzman, N.; Pavelsky, T.; Wrzesien, M.

2017-12-01

The snowmelt-dominated watersheds on the western slopes of the California Sierra Nevada drain into reservoirs that generate electricity and help irrigate Central Valley farms. At the end of the wet season of each year, around April 1, most of the water that will become runoff in these basins is stored as snow at high elevations. Snow measurements provide a good estimate of the total annual runoff to come. For efficient water management, however, it is also useful to know the timing of runoff. When and how large will the peak flow into a reservoir be, and how fast will the flow decline after it peaks? We address such questions using a coupled regional climate and land surface model, WRF and Noah-MP, to dynamically downscale the North American Regional Reanalysis (NARR) with an ensemble approach. First, we assess several methods of deriving melt-season runoff from WRF. We run WRF for a complete water year, and also test initializing WRF snow from observation-based datasets at the approximate date of peak snow water equivalent. By aggregating the modeled runoffs over the drainage basins of reservoirs and comparing to naturalized flow data, we can assess the basin-scale snow accumulation accuracy of WRF and the other datasets in the Sierra. After choosing a procedure to set the model snow at the end of the wet season, we apply in WRF the melt-season meteorology from 20 different past years of NARR to produce an ensemble of simulations, each with modeled flows into 8 reservoirs spanning the Sierra. We use the ensemble to characterize the likely spread in the timing and magnitude of hydrologic outcomes during the melt season. Probabilistic forecasts can help water-energy systems operate more efficiently. The ensemble also shows the effect of warm-season temperature extremes on flow timing, allowing human systems to prepare for those possibilities. Finally, the ensemble provides a baseline estimate of the maximum variability in runoff timing that could be generated by past conditions. If future runoff patterns consistently exceed the extremes found in the ensemble, nonstationary hydroclimate can be inferred.

Post-processing ECMWF precipitation and temperature ensemble reforecasts for operational hydrologic forecasting at various spatial scales

NASA Astrophysics Data System (ADS)

Verkade, J. S.; Brown, J. D.; Reggiani, P.; Weerts, A. H.

2013-09-01

The ECMWF temperature and precipitation ensemble reforecasts are evaluated for biases in the mean, spread and forecast probabilities, and how these biases propagate to streamflow ensemble forecasts. The forcing ensembles are subsequently post-processed to reduce bias and increase skill, and to investigate whether this leads to improved streamflow ensemble forecasts. Multiple post-processing techniques are used: quantile-to-quantile transform, linear regression with an assumption of bivariate normality and logistic regression. Both the raw and post-processed ensembles are run through a hydrologic model of the river Rhine to create streamflow ensembles. The results are compared using multiple verification metrics and skill scores: relative mean error, Brier skill score and its decompositions, mean continuous ranked probability skill score and its decomposition, and the ROC score. Verification of the streamflow ensembles is performed at multiple spatial scales: relatively small headwater basins, large tributaries and the Rhine outlet at Lobith. The streamflow ensembles are verified against simulated streamflow, in order to isolate the effects of biases in the forcing ensembles and any improvements therein. The results indicate that the forcing ensembles contain significant biases, and that these cascade to the streamflow ensembles. Some of the bias in the forcing ensembles is unconditional in nature; this was resolved by a simple quantile-to-quantile transform. Improvements in conditional bias and skill of the forcing ensembles vary with forecast lead time, amount, and spatial scale, but are generally moderate. The translation to streamflow forecast skill is further muted, and several explanations are considered, including limitations in the modelling of the space-time covariability of the forcing ensembles and the presence of storages.

Application of remote sensing in crop growth simulation and an ensembles approach to reduce model uncertainties

NASA Astrophysics Data System (ADS)

Setiyono, T. D.; Nelson, A.; Ravis, J.; Maunahan, A.; Villano, L.; Li, T.; Bouman, B.

2012-12-01

A semi-empirical model derived from the water-cloud model was used to convert synthetic- aperture radar (SAR) backscattering data into LAI. The SAR-based LAI at early rice growth stages were in a close agreement (90%) with LAI derived from MODIS data for the same study location in Nueva Ecija, Philippines. ORYZA2000 simulated rice yield of 4.5 Mg ha-1 for the 2008 wet season in Nueva Ejica, Philippines when using LAI inputs derived from SAR data, which is closer to the observed yield of 3.9 Mg ha-1, whereas simulated yield without SAR-derived LAI inputs was 5.4 Mg ha-1. The dynamic water and nitrogen balances were accounted in these simulations based on site-specific soil properties and actual fertilizer N and water management. The use of remote sensing data was promising for model application to approximate actual growth conditions and to compensate for limitations in the model due to relevant underlining processes absent in model formulations such as detailed tillering, leaf shading effect, etc., and also limiting factors not accounted in the model such as biotic factors and abiotic factors other than water and N shortages. This study also demonstrated the use an ensembles approach for provincial level rice yield estimation in the Philippines. Such ensembles approach involved statistical classifications of agronomic management settings into 25% percentile, median, and 75% levels followed by generation of factorial combinations. For irrigated lowland system, 4 factors were considered that include transplanting date, plant density, fertilizer N rate, and amount of irrigation water. For rainfed lowland system, there were 3 agronomic management factors (transplanting date, plant density, fertilizer N) and 1 soil parameter (depth of ground water table). These 4 management/soil factors and 3 statistical levels resulted in 81 total factorial combinations representing simulation scenarios for each area of interest (province in the Philippines) and water environments (irrigated vs. rainfed). Finally a normal distribution was assumed and applied to the simulations outputs. This ensembles approach provided an efficient and yet effective method of aggregating point-based crop model results into a larger spatial level of interest. Lack of access to accurate model parameters (e.g. depth of ground water table) could be solved with this approach. The use of process-based crop growth model was critical because the ultimate aim of this study was not just to establish a reliable rice yield estimation system but also to allow yield estimation outputs explainable by the underlining agronomic practices such as transplanting date, fertilizer N application, and water management.

Ocean eddies and climate predictability

NASA Astrophysics Data System (ADS)

Kirtman, Ben P.; Perlin, Natalie; Siqueira, Leo

2017-12-01

A suite of coupled climate model simulations and experiments are used to examine how resolved mesoscale ocean features affect aspects of climate variability, air-sea interactions, and predictability. In combination with control simulations, experiments with the interactive ensemble coupling strategy are used to further amplify the role of the oceanic mesoscale field and the associated air-sea feedbacks and predictability. The basic intent of the interactive ensemble coupling strategy is to reduce the atmospheric noise at the air-sea interface, allowing an assessment of how noise affects the variability, and in this case, it is also used to diagnose predictability from the perspective of signal-to-noise ratios. The climate variability is assessed from the perspective of sea surface temperature (SST) variance ratios, and it is shown that, unsurprisingly, mesoscale variability significantly increases SST variance. Perhaps surprising is the fact that the presence of mesoscale ocean features even further enhances the SST variance in the interactive ensemble simulation beyond what would be expected from simple linear arguments. Changes in the air-sea coupling between simulations are assessed using pointwise convective rainfall-SST and convective rainfall-SST tendency correlations and again emphasize how the oceanic mesoscale alters the local association between convective rainfall and SST. Understanding the possible relationships between the SST-forced signal and the weather noise is critically important in climate predictability. We use the interactive ensemble simulations to diagnose this relationship, and we find that the presence of mesoscale ocean features significantly enhances this link particularly in ocean eddy rich regions. Finally, we use signal-to-noise ratios to show that the ocean mesoscale activity increases model estimated predictability in terms of convective precipitation and atmospheric upper tropospheric circulation.

Ocean eddies and climate predictability.

PubMed

Kirtman, Ben P; Perlin, Natalie; Siqueira, Leo

2017-12-01

A suite of coupled climate model simulations and experiments are used to examine how resolved mesoscale ocean features affect aspects of climate variability, air-sea interactions, and predictability. In combination with control simulations, experiments with the interactive ensemble coupling strategy are used to further amplify the role of the oceanic mesoscale field and the associated air-sea feedbacks and predictability. The basic intent of the interactive ensemble coupling strategy is to reduce the atmospheric noise at the air-sea interface, allowing an assessment of how noise affects the variability, and in this case, it is also used to diagnose predictability from the perspective of signal-to-noise ratios. The climate variability is assessed from the perspective of sea surface temperature (SST) variance ratios, and it is shown that, unsurprisingly, mesoscale variability significantly increases SST variance. Perhaps surprising is the fact that the presence of mesoscale ocean features even further enhances the SST variance in the interactive ensemble simulation beyond what would be expected from simple linear arguments. Changes in the air-sea coupling between simulations are assessed using pointwise convective rainfall-SST and convective rainfall-SST tendency correlations and again emphasize how the oceanic mesoscale alters the local association between convective rainfall and SST. Understanding the possible relationships between the SST-forced signal and the weather noise is critically important in climate predictability. We use the interactive ensemble simulations to diagnose this relationship, and we find that the presence of mesoscale ocean features significantly enhances this link particularly in ocean eddy rich regions. Finally, we use signal-to-noise ratios to show that the ocean mesoscale activity increases model estimated predictability in terms of convective precipitation and atmospheric upper tropospheric circulation.

Toward an Accurate Theoretical Framework for Describing Ensembles for Proteins under Strongly Denaturing Conditions

PubMed Central

Tran, Hoang T.; Pappu, Rohit V.

2006-01-01

Our focus is on an appropriate theoretical framework for describing highly denatured proteins. In high concentrations of denaturants, proteins behave like polymers in a good solvent and ensembles for denatured proteins can be modeled by ignoring all interactions except excluded volume (EV) effects. To assay conformational preferences of highly denatured proteins, we quantify a variety of properties for EV-limit ensembles of 23 two-state proteins. We find that modeled denatured proteins can be best described as follows. Average shapes are consistent with prolate ellipsoids. Ensembles are characterized by large correlated fluctuations. Sequence-specific conformational preferences are restricted to local length scales that span five to nine residues. Beyond local length scales, chain properties follow well-defined power laws that are expected for generic polymers in the EV limit. The average available volume is filled inefficiently, and cavities of all sizes are found within the interiors of denatured proteins. All properties characterized from simulated ensembles match predictions from rigorous field theories. We use our results to resolve between conflicting proposals for structure in ensembles for highly denatured states. PMID:16766618

An Educational Model for Hands-On Hydrology Education

NASA Astrophysics Data System (ADS)

AghaKouchak, A.; Nakhjiri, N.; Habib, E. H.

2014-12-01

This presentation provides an overview of a hands-on modeling tool developed for students in civil engineering and earth science disciplines to help them learn the fundamentals of hydrologic processes, model calibration, sensitivity analysis, uncertainty assessment, and practice conceptual thinking in solving engineering problems. The toolbox includes two simplified hydrologic models, namely HBV-EDU and HBV-Ensemble, designed as a complement to theoretical hydrology lectures. The models provide an interdisciplinary application-oriented learning environment that introduces the hydrologic phenomena through the use of a simplified conceptual hydrologic model. The toolbox can be used for in-class lab practices and homework assignments, and assessment of students' understanding of hydrological processes. Using this modeling toolbox, students can gain more insights into how hydrological processes (e.g., precipitation, snowmelt and snow accumulation, soil moisture, evapotranspiration and runoff generation) are interconnected. The educational toolbox includes a MATLAB Graphical User Interface (GUI) and an ensemble simulation scheme that can be used for teaching more advanced topics including uncertainty analysis, and ensemble simulation. Both models have been administered in a class for both in-class instruction and a final project, and students submitted their feedback about the toolbox. The results indicate that this educational software had a positive impact on students understanding and knowledge of hydrology.

A Statistical Description of Neural Ensemble Dynamics

PubMed Central

Long, John D.; Carmena, Jose M.

2011-01-01

The growing use of multi-channel neural recording techniques in behaving animals has produced rich datasets that hold immense potential for advancing our understanding of how the brain mediates behavior. One limitation of these techniques is they do not provide important information about the underlying anatomical connections among the recorded neurons within an ensemble. Inferring these connections is often intractable because the set of possible interactions grows exponentially with ensemble size. This is a fundamental challenge one confronts when interpreting these data. Unfortunately, the combination of expert knowledge and ensemble data is often insufficient for selecting a unique model of these interactions. Our approach shifts away from modeling the network diagram of the ensemble toward analyzing changes in the dynamics of the ensemble as they relate to behavior. Our contribution consists of adapting techniques from signal processing and Bayesian statistics to track the dynamics of ensemble data on time-scales comparable with behavior. We employ a Bayesian estimator to weigh prior information against the available ensemble data, and use an adaptive quantization technique to aggregate poorly estimated regions of the ensemble data space. Importantly, our method is capable of detecting changes in both the magnitude and structure of correlations among neurons missed by firing rate metrics. We show that this method is scalable across a wide range of time-scales and ensemble sizes. Lastly, the performance of this method on both simulated and real ensemble data is used to demonstrate its utility. PMID:22319486

An Integrated Scenario Ensemble-Based Framework for Hurricane Evacuation Modeling: Part 2-Hazard Modeling.

PubMed

Blanton, Brian; Dresback, Kendra; Colle, Brian; Kolar, Randy; Vergara, Humberto; Hong, Yang; Leonardo, Nicholas; Davidson, Rachel; Nozick, Linda; Wachtendorf, Tricia

2018-04-25

Hurricane track and intensity can change rapidly in unexpected ways, thus making predictions of hurricanes and related hazards uncertain. This inherent uncertainty often translates into suboptimal decision-making outcomes, such as unnecessary evacuation. Representing this uncertainty is thus critical in evacuation planning and related activities. We describe a physics-based hazard modeling approach that (1) dynamically accounts for the physical interactions among hazard components and (2) captures hurricane evolution uncertainty using an ensemble method. This loosely coupled model system provides a framework for probabilistic water inundation and wind speed levels for a new, risk-based approach to evacuation modeling, described in a companion article in this issue. It combines the Weather Research and Forecasting (WRF) meteorological model, the Coupled Routing and Excess STorage (CREST) hydrologic model, and the ADvanced CIRCulation (ADCIRC) storm surge, tide, and wind-wave model to compute inundation levels and wind speeds for an ensemble of hurricane predictions. Perturbations to WRF's initial and boundary conditions and different model physics/parameterizations generate an ensemble of storm solutions, which are then used to drive the coupled hydrologic + hydrodynamic models. Hurricane Isabel (2003) is used as a case study to illustrate the ensemble-based approach. The inundation, river runoff, and wind hazard results are strongly dependent on the accuracy of the mesoscale meteorological simulations, which improves with decreasing lead time to hurricane landfall. The ensemble envelope brackets the observed behavior while providing "best-case" and "worst-case" scenarios for the subsequent risk-based evacuation model. © 2018 Society for Risk Analysis.

Diurnal Ensemble Surface Meteorology Statistics

EPA Pesticide Factsheets

Excel file containing diurnal ensemble statistics of 2-m temperature, 2-m mixing ratio and 10-m wind speed. This Excel file contains figures for Figure 2 in the paper and worksheets containing all statistics for the 14 members of the ensemble and a base simulation.This dataset is associated with the following publication:Gilliam , R., C. Hogrefe , J. Godowitch, S. Napelenok , R. Mathur , and S.T. Rao. Impact of inherent meteorology uncertainty on air quality model predictions. JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES. American Geophysical Union, Washington, DC, USA, 120(23): 12,259–12,280, (2015).

WESTPA: An interoperable, highly scalable software package for weighted ensemble simulation and analysis

PubMed Central

Zwier, Matthew C.; Adelman, Joshua L.; Kaus, Joseph W.; Pratt, Adam J.; Wong, Kim F.; Rego, Nicholas B.; Suárez, Ernesto; Lettieri, Steven; Wang, David W.; Grabe, Michael; Zuckerman, Daniel M.; Chong, Lillian T.

2015-01-01

The weighted ensemble (WE) path sampling approach orchestrates an ensemble of parallel calculations with intermittent communication to enhance the sampling of rare events, such as molecular associations or conformational changes in proteins or peptides. Trajectories are replicated and pruned in a way that focuses computational effort on under-explored regions of configuration space while maintaining rigorous kinetics. To enable the simulation of rare events at any scale (e.g. atomistic, cellular), we have developed an open-source, interoperable, and highly scalable software package for the execution and analysis of WE simulations: WESTPA (The Weighted Ensemble Simulation Toolkit with Parallelization and Analysis). WESTPA scales to thousands of CPU cores and includes a suite of analysis tools that have been implemented in a massively parallel fashion. The software has been designed to interface conveniently with any dynamics engine and has already been used with a variety of molecular dynamics (e.g. GROMACS, NAMD, OpenMM, AMBER) and cell-modeling packages (e.g. BioNetGen, MCell). WESTPA has been in production use for over a year, and its utility has been demonstrated for a broad set of problems, ranging from atomically detailed host-guest associations to non-spatial chemical kinetics of cellular signaling networks. The following describes the design and features of WESTPA, including the facilities it provides for running WE simulations, storing and analyzing WE simulation data, as well as examples of input and output. PMID:26392815

A Simple Ensemble Simulation Technique for Assessment of Future Variations in Specific High-Impact Weather Events

NASA Astrophysics Data System (ADS)

Taniguchi, Kenji

2018-04-01

To investigate future variations in high-impact weather events, numerous samples are required. For the detailed assessment in a specific region, a high spatial resolution is also required. A simple ensemble simulation technique is proposed in this paper. In the proposed technique, new ensemble members were generated from one basic state vector and two perturbation vectors, which were obtained by lagged average forecasting simulations. Sensitivity experiments with different numbers of ensemble members, different simulation lengths, and different perturbation magnitudes were performed. Experimental application to a global warming study was also implemented for a typhoon event. Ensemble-mean results and ensemble spreads of total precipitation, atmospheric conditions showed similar characteristics across the sensitivity experiments. The frequencies of the maximum total and hourly precipitation also showed similar distributions. These results indicate the robustness of the proposed technique. On the other hand, considerable ensemble spread was found in each ensemble experiment. In addition, the results of the application to a global warming study showed possible variations in the future. These results indicate that the proposed technique is useful for investigating various meteorological phenomena and the impacts of global warming. The results of the ensemble simulations also enable the stochastic evaluation of differences in high-impact weather events. In addition, the impacts of a spectral nudging technique were also examined. The tracks of a typhoon were quite different between cases with and without spectral nudging; however, the ranges of the tracks among ensemble members were comparable. It indicates that spectral nudging does not necessarily suppress ensemble spread.

Continuous variable quantum optical simulation for time evolution of quantum harmonic oscillators

PubMed Central

Deng, Xiaowei; Hao, Shuhong; Guo, Hong; Xie, Changde; Su, Xiaolong

2016-01-01

Quantum simulation enables one to mimic the evolution of other quantum systems using a controllable quantum system. Quantum harmonic oscillator (QHO) is one of the most important model systems in quantum physics. To observe the transient dynamics of a QHO with high oscillation frequency directly is difficult. We experimentally simulate the transient behaviors of QHO in an open system during time evolution with an optical mode and a logical operation system of continuous variable quantum computation. The time evolution of an atomic ensemble in the collective spontaneous emission is analytically simulated by mapping the atomic ensemble onto a QHO. The measured fidelity, which is used for quantifying the quality of the simulation, is higher than its classical limit. The presented simulation scheme provides a new tool for studying the dynamic behaviors of QHO. PMID:26961962

Uncertainty in solid precipitation and snow depth prediction for Siberia using the Noah and Noah-MP land surface models

NASA Astrophysics Data System (ADS)

Suzuki, Kazuyoshi; Zupanski, Milija

2018-01-01

In this study, we investigate the uncertainties associated with land surface processes in an ensemble predication context. Specifically, we compare the uncertainties produced by a coupled atmosphere-land modeling system with two different land surface models, the Noah- MP land surface model (LSM) and the Noah LSM, by using the Maximum Likelihood Ensemble Filter (MLEF) data assimilation system as a platform for ensemble prediction. We carried out 24-hour prediction simulations in Siberia with 32 ensemble members beginning at 00:00 UTC on 5 March 2013. We then compared the model prediction uncertainty of snow depth and solid precipitation with observation-based research products and evaluated the standard deviation of the ensemble spread. The prediction skill and ensemble spread exhibited high positive correlation for both LSMs, indicating a realistic uncertainty estimation. The inclusion of a multiple snowlayer model in the Noah-MP LSM was beneficial for reducing the uncertainties of snow depth and snow depth change compared to the Noah LSM, but the uncertainty in daily solid precipitation showed minimal difference between the two LSMs. The impact of LSM choice in reducing temperature uncertainty was limited to surface layers of the atmosphere. In summary, we found that the more sophisticated Noah-MP LSM reduces uncertainties associated with land surface processes compared to the Noah LSM. Thus, using prediction models with improved skill implies improved predictability and greater certainty of prediction.

Random matrix approach to plasmon resonances in the random impedance network model of disordered nanocomposites

NASA Astrophysics Data System (ADS)

Olekhno, N. A.; Beltukov, Y. M.

2018-05-01

Random impedance networks are widely used as a model to describe plasmon resonances in disordered metal-dielectric and other two-component nanocomposites. In the present work, the spectral properties of resonances in random networks are studied within the framework of the random matrix theory. We have shown that the appropriate ensemble of random matrices for the considered problem is the Jacobi ensemble (the MANOVA ensemble). The obtained analytical expressions for the density of states in such resonant networks show a good agreement with the results of numerical simulations in a wide range of metal filling fractions 0

Visualizing projected Climate Changes - the CMIP5 Multi-Model Ensemble

NASA Astrophysics Data System (ADS)

Böttinger, Michael; Eyring, Veronika; Lauer, Axel; Meier-Fleischer, Karin

2017-04-01

Large ensembles add an additional dimension to climate model simulations. Internal variability of the climate system can be assessed for example by multiple climate model simulations with small variations in the initial conditions or by analyzing the spread in large ensembles made by multiple climate models under common protocols. This spread is often used as a measure of uncertainty in climate projections. In the context of the fifth phase of the WCRP's Coupled Model Intercomparison Project (CMIP5), more than 40 different coupled climate models were employed to carry out a coordinated set of experiments. Time series of the development of integral quantities such as the global mean temperature change for all models visualize the spread in the multi-model ensemble. A similar approach can be applied to 2D-visualizations of projected climate changes such as latitude-longitude maps showing the multi-model mean of the ensemble by adding a graphical representation of the uncertainty information. This has been demonstrated for example with static figures in chapter 12 of the last IPCC report (AR5) using different so-called stippling and hatching techniques. In this work, we focus on animated visualizations of multi-model ensemble climate projections carried out within CMIP5 as a way of communicating climate change results to the scientific community as well as to the public. We take a closer look at measures of robustness or uncertainty used in recent publications suitable for animated visualizations. Specifically, we use the ESMValTool [1] to process and prepare the CMIP5 multi-model data in combination with standard visualization tools such as NCL and the commercial 3D visualization software Avizo to create the animations. We compare different visualization techniques such as height fields or shading with transparency for creating animated visualization of ensemble mean changes in temperature and precipitation including corresponding robustness measures. [1] Eyring, V., Righi, M., Lauer, A., Evaldsson, M., Wenzel, S., Jones, C., Anav, A., Andrews, O., Cionni, I., Davin, E. L., Deser, C., Ehbrecht, C., Friedlingstein, P., Gleckler, P., Gottschaldt, K.-D., Hagemann, S., Juckes, M., Kindermann, S., Krasting, J., Kunert, D., Levine, R., Loew, A., Mäkelä, J., Martin, G., Mason, E., Phillips, A. S., Read, S., Rio, C., Roehrig, R., Senftleben, D., Sterl, A., van Ulft, L. H., Walton, J., Wang, S., and Williams, K. D.: ESMValTool (v1.0) - a community diagnostic and performance metrics tool for routine evaluation of Earth system models in CMIP, Geosci. Model Dev., 9, 1747-1802, doi:10.5194/gmd-9-1747-2016, 2016.

The effect of Ocean resolution, and external forcing in the correlation between SLP and Sea Ice Concentration in the Pre-PRIMAVERA GCMs

NASA Astrophysics Data System (ADS)

Fuentes-Franco, Ramon; Koenigk, Torben

2017-04-01

Recently, an observational study has shown that sea ice variations in Barents Sea seem to be important for the sign of the following winter NAO (Koenigk et al. 2016). It has also been found that amplitude and extension of the Sea Level Pressure (SLP) patterns are modulated by Greenland and Labrador Seas ice areas. Therefore, Earth System Models participating in the PRIMAVERA Project are used to study the impact of resolution in ocean models in reproducing the previously mentioned observed correlation patterns between Sea Ice Concentration (SIC) and the SLP. When using ensembles of high ocean resolution (0.25 degrees) and low ocean resolution (1 degree) simulations, we found that the correlation sign between sea ice concentration over the Central Arctic, the Barents/Kara Seas and the Northern Hemisphere is similar to observations in the higher ocean resolution ensemble, although the amplitude is underestimated. In contrast, the low resolution ensemble shows opposite correlation patterns compared to observations. In general, high ocean resolution simulations show more similar results to observations than the low resolution simulations. Similarly, in order to study the mentioned observed SIC-SLP relationship reported by Koenigk et al (2016), we analyzed the impact of the use of pre-industrial and historical external forcing in the simulations. When using same forcing ensembles, we found that the correlation sign between SIC and SLP does not show a systematic behavior dependent on the use of different external forcing (pre-industrial or present day) as it does when using different ocean resolutions.

Learning About Climate and Atmospheric Models Through Machine Learning

NASA Astrophysics Data System (ADS)

Lucas, D. D.

2017-12-01

From the analysis of ensemble variability to improving simulation performance, machine learning algorithms can play a powerful role in understanding the behavior of atmospheric and climate models. To learn about model behavior, we create training and testing data sets through ensemble techniques that sample different model configurations and values of input parameters, and then use supervised machine learning to map the relationships between the inputs and outputs. Following this procedure, we have used support vector machines, random forests, gradient boosting and other methods to investigate a variety of atmospheric and climate model phenomena. We have used machine learning to predict simulation crashes, estimate the probability density function of climate sensitivity, optimize simulations of the Madden Julian oscillation, assess the impacts of weather and emissions uncertainty on atmospheric dispersion, and quantify the effects of model resolution changes on precipitation. This presentation highlights recent examples of our applications of machine learning to improve the understanding of climate and atmospheric models. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

Towards an improved ensemble precipitation forecast: A probabilistic post-processing approach

NASA Astrophysics Data System (ADS)

Khajehei, Sepideh; Moradkhani, Hamid

2017-03-01

Recently, ensemble post-processing (EPP) has become a commonly used approach for reducing the uncertainty in forcing data and hence hydrologic simulation. The procedure was introduced to build ensemble precipitation forecasts based on the statistical relationship between observations and forecasts. More specifically, the approach relies on a transfer function that is developed based on a bivariate joint distribution between the observations and the simulations in the historical period. The transfer function is used to post-process the forecast. In this study, we propose a Bayesian EPP approach based on copula functions (COP-EPP) to improve the reliability of the precipitation ensemble forecast. Evaluation of the copula-based method is carried out by comparing the performance of the generated ensemble precipitation with the outputs from an existing procedure, i.e. mixed type meta-Gaussian distribution. Monthly precipitation from Climate Forecast System Reanalysis (CFS) and gridded observation from Parameter-Elevation Relationships on Independent Slopes Model (PRISM) have been employed to generate the post-processed ensemble precipitation. Deterministic and probabilistic verification frameworks are utilized in order to evaluate the outputs from the proposed technique. Distribution of seasonal precipitation for the generated ensemble from the copula-based technique is compared to the observation and raw forecasts for three sub-basins located in the Western United States. Results show that both techniques are successful in producing reliable and unbiased ensemble forecast, however, the COP-EPP demonstrates considerable improvement in the ensemble forecast in both deterministic and probabilistic verification, in particular in characterizing the extreme events in wet seasons.

Filling the white space on maps of European runoff trends: estimates from a multi-model ensemble

NASA Astrophysics Data System (ADS)

Stahl, K.; Tallaksen, L. M.; Hannaford, J.; van Lanen, H. A. J.

2012-02-01

An overall appraisal of runoff changes at the European scale has been hindered by "white space" on maps of observed trends due to a paucity of readily-available streamflow data. This study tested whether this white space can be filled using estimates of trends derived from model simulations of European runoff. The simulations stem from an ensemble of eight global hydrological models that were forced with the same climate input for the period 1963-2000. A validation of the derived trends for 293 grid cells across the European domain with observation-based trend estimates, allowed an assessment of the uncertainty of the modelled trends. The models agreed on the predominant continental scale patterns of trends, but disagreed on magnitudes and even on trend directions at the transition between regions with increasing and decreasing runoff trends, in complex terrain with a high spatial variability, and in snow-dominated regimes. Model estimates appeared most reliable in reproducing trends in annual runoff, winter runoff, and 7-day high flow. Modelled trends in runoff during the summer months, spring (for snow influenced regions) and autumn, and trends in summer low flow, were more variable and should be viewed with caution due to higher uncertainty. The ensemble mean overall provided the best representation of the trends in the observations. Maps of trends in annual runoff based on the ensemble mean demonstrated a pronounced continental dipole pattern of positive trends in western and northern Europe and negative trends in southern and parts of Eastern Europe, which has not previously been demonstrated and discussed in comparable detail.

Local-scale changes in mean and heavy precipitation in Western Europe, climate change or internal variability?

NASA Astrophysics Data System (ADS)

Aalbers, Emma E.; Lenderink, Geert; van Meijgaard, Erik; van den Hurk, Bart J. J. M.

2018-06-01

High-resolution climate information provided by e.g. regional climate models (RCMs) is valuable for exploring the changing weather under global warming, and assessing the local impact of climate change. While there is generally more confidence in the representativeness of simulated processes at higher resolutions, internal variability of the climate system—`noise', intrinsic to the chaotic nature of atmospheric and oceanic processes—is larger at smaller spatial scales as well, limiting the predictability of the climate signal. To quantify the internal variability and robustly estimate the climate signal, large initial-condition ensembles of climate simulations conducted with a single model provide essential information. We analyze a regional downscaling of a 16-member initial-condition ensemble over western Europe and the Alps at 0.11° resolution, similar to the highest resolution EURO-CORDEX simulations. We examine the strength of the forced climate response (signal) in mean and extreme daily precipitation with respect to noise due to internal variability, and find robust small-scale geographical features in the forced response, indicating regional differences in changes in the probability of events. However, individual ensemble members provide only limited information on the forced climate response, even for high levels of global warming. Although the results are based on a single RCM-GCM chain, we believe that they have general value in providing insight in the fraction of the uncertainty in high-resolution climate information that is irreducible, and can assist in the correct interpretation of fine-scale information in multi-model ensembles in terms of a forced response and noise due to internal variability.

Local-scale changes in mean and heavy precipitation in Western Europe, climate change or internal variability?

NASA Astrophysics Data System (ADS)

Aalbers, Emma E.; Lenderink, Geert; van Meijgaard, Erik; van den Hurk, Bart J. J. M.

2017-09-01

High-resolution climate information provided by e.g. regional climate models (RCMs) is valuable for exploring the changing weather under global warming, and assessing the local impact of climate change. While there is generally more confidence in the representativeness of simulated processes at higher resolutions, internal variability of the climate system—`noise', intrinsic to the chaotic nature of atmospheric and oceanic processes—is larger at smaller spatial scales as well, limiting the predictability of the climate signal. To quantify the internal variability and robustly estimate the climate signal, large initial-condition ensembles of climate simulations conducted with a single model provide essential information. We analyze a regional downscaling of a 16-member initial-condition ensemble over western Europe and the Alps at 0.11° resolution, similar to the highest resolution EURO-CORDEX simulations. We examine the strength of the forced climate response (signal) in mean and extreme daily precipitation with respect to noise due to internal variability, and find robust small-scale geographical features in the forced response, indicating regional differences in changes in the probability of events. However, individual ensemble members provide only limited information on the forced climate response, even for high levels of global warming. Although the results are based on a single RCM-GCM chain, we believe that they have general value in providing insight in the fraction of the uncertainty in high-resolution climate information that is irreducible, and can assist in the correct interpretation of fine-scale information in multi-model ensembles in terms of a forced response and noise due to internal variability.

Assimilation of the AVISO Altimetry Data into the Ocean Dynamics Model with a High Spatial Resolution Using Ensemble Optimal Interpolation (EnOI)

NASA Astrophysics Data System (ADS)

Kaurkin, M. N.; Ibrayev, R. A.; Belyaev, K. P.

2018-01-01

A parallel realization of the Ensemble Optimal Interpolation (EnOI) data assimilation (DA) method in conjunction with the eddy-resolving global circulation model is implemented. The results of DA experiments in the North Atlantic with the assimilation of the Archiving, Validation and Interpretation of Satellite Oceanographic (AVISO) data from the Jason-1 satellite are analyzed. The results of simulation are compared with the independent temperature and salinity data from the ARGO drifters.

[Simulation of cropland soil moisture based on an ensemble Kalman filter].

PubMed

Liu, Zhao; Zhou, Yan-Lian; Ju, Wei-Min; Gao, Ping

2011-11-01

By using an ensemble Kalman filter (EnKF) to assimilate the observed soil moisture data, the modified boreal ecosystem productivity simulator (BEPS) model was adopted to simulate the dynamics of soil moisture in winter wheat root zones at Xuzhou Agro-meteorological Station, Jiangsu Province of China during the growth seasons in 2000-2004. After the assimilation of observed data, the determination coefficient, root mean square error, and average absolute error of simulated soil moisture were in the ranges of 0.626-0.943, 0.018-0.042, and 0.021-0.041, respectively, with the simulation precision improved significantly, as compared with that before assimilation, indicating the applicability of data assimilation in improving the simulation of soil moisture. The experimental results at single point showed that the errors in the forcing data and observations and the frequency and soil depth of the assimilation of observed data all had obvious effects on the simulated soil moisture.

Hydro and morphodynamic simulations for probabilistic estimates of munitions mobility

NASA Astrophysics Data System (ADS)

Palmsten, M.; Penko, A.

2017-12-01

Probabilistic estimates of waves, currents, and sediment transport at underwater munitions remediation sites are necessary to constrain probabilistic predictions of munitions exposure, burial, and migration. To address this need, we produced ensemble simulations of hydrodynamic flow and morphologic change with Delft3D, a coupled system of wave, circulation, and sediment transport models. We have set up the Delft3D model simulations at the Army Corps of Engineers Field Research Facility (FRF) in Duck, NC, USA. The FRF is the prototype site for the near-field munitions mobility model, which integrates far-field and near-field field munitions mobility simulations. An extensive array of in-situ and remotely sensed oceanographic, bathymetric, and meteorological data are available at the FRF, as well as existing observations of munitions mobility for model testing. Here, we present results of ensemble Delft3D hydro- and morphodynamic simulations at Duck. A nested Delft3D simulation runs an outer grid that extends 12-km in the along-shore and 3.7-km in the cross-shore with 50-m resolution and a maximum depth of approximately 17-m. The inner nested grid extends 3.2-km in the along-shore and 1.2-km in the cross-shore with 5-m resolution and a maximum depth of approximately 11-m. The inner nested grid initial model bathymetry is defined as the most recent survey or remotely sensed estimate of water depth. Delft3D-WAVE and FLOW is driven with spectral wave measurements from a Waverider buoy in 17-m depth located on the offshore boundary of the outer grid. The spectral wave output and the water levels from the outer grid are used to define the boundary conditions for the inner nested high-resolution grid, in which the coupled Delft3D WAVE-FLOW-MORPHOLOGY model is run. The ensemble results are compared to the wave, current, and bathymetry observations collected at the FRF.

Equipartition terms in transition path ensemble: Insights from molecular dynamics simulations of alanine dipeptide.

PubMed

Li, Wenjin

2018-02-28

Transition path ensemble consists of reactive trajectories and possesses all the information necessary for the understanding of the mechanism and dynamics of important condensed phase processes. However, quantitative description of the properties of the transition path ensemble is far from being established. Here, with numerical calculations on a model system, the equipartition terms defined in thermal equilibrium were for the first time estimated in the transition path ensemble. It was not surprising to observe that the energy was not equally distributed among all the coordinates. However, the energies distributed on a pair of conjugated coordinates remained equal. Higher energies were observed to be distributed on several coordinates, which are highly coupled to the reaction coordinate, while the rest were almost equally distributed. In addition, the ensemble-averaged energy on each coordinate as a function of time was also quantified. These quantitative analyses on energy distributions provided new insights into the transition path ensemble.

Describing the direct and indirect radiative effects of atmospheric aerosols over Europe by using coupled meteorology-chemistry simulations: a contribution from the AQMEII-Phase II exercise

NASA Astrophysics Data System (ADS)

Jimenez-Guerrero, Pedro; Balzarini, Alessandra; Baró, Rocío; Curci, Gabriele; Forkel, Renate; Hirtl, Marcus; Honzak, Luka; Langer, Matthias; Pérez, Juan L.; Pirovano, Guido; San José, Roberto; Tuccella, Paolo; Werhahn, Johannes; Zabkar, Rahela

2014-05-01

The study of the response of the aerosol levels in the atmosphere to a changing climate and how this affects the radiative budget of the Earth (direct, semi-direct and indirect effects) is an essential topic to build confidence on climate science, since these feedbacks involve the largest uncertainties nowadays. Air quality-climate interactions (AQCI) are, therefore, a key, but uncertain contributor to the anthropogenic forcing that remains poorly understood. To build confidence in the AQCI studies, regional-scale integrated meteorology-atmospheric chemistry models (i.e., models with on-line chemistry) that include detailed treatment of aerosol life cycle and aerosol impacts on radiation (direct effects) and clouds (indirect effects) are in demand. In this context, the main objective of this contribution is the study and definition of the uncertainties in the climate-chemistry-aerosol-cloud-radiation system associated to the direct radiative forcing and the indirect effect caused by aerosols over Europe, using an ensemble of fully-coupled meteorology-chemistry model simulations with the WRF-Chem model run under the umbrella of AQMEII-Phase 2 international initiative. Simulations were performed for Europe for the entire year 2010. According to the common simulation strategy, the year was simulated as a sequence of 2-day time slices. For better comparability, the seven groups applied the same grid spacing of 23 km and shared common processing of initial and boundary conditions as well as anthropogenic and fire emissions. With exception of a simulation with different cloud microphysics, identical physics options were chosen while the chemistry options were varied. Two model set-ups will be considered here: one sub-ensemble of simulations not taking into account any aerosol feedbacks (the baseline case) and another sub-ensemble of simulations which differs from the former by the inclusion of aerosol-radiation feedback. The existing differences for meteorological variables (mainly 2-m temperature and precipitation) and air quality levels (mainly ozone an PM10) between both sub-ensembles of WRF-Chem simulations have been characterized. In the case of ozone and PM10, an increase in solar radiation and temperature has generally resulted in an enhanced photochemical activity and therefore a negative feedback (areas with low aerosol concentrations present more than 50 W m-2 higher global radiation for cloudy conditions). However, simulated feedback effects between aerosol concentrations and meteorological variables and on pollutant distributions strongly depend on the model configuration and the meteorological situation. These results will help providing improved science-based foundations to better assess the impacts of climate variability, support the development of effective climate change policies and optimize private decision-making.

A conditional approach to determining the effect of anthropogenic climate change on very rare events.

NASA Astrophysics Data System (ADS)

Wehner, Michael; Pall, Pardeep; Zarzycki, Colin; Stone, Daithi

2016-04-01

Probabilistic extreme event attribution is especially difficult for weather events that are caused by extremely rare large-scale meteorological patterns. Traditional modeling techniques have involved using ensembles of climate models, either fully coupled or with prescribed ocean and sea ice. Ensemble sizes for the latter case ranges from several 100 to tens of thousand. However, even if the simulations are constrained by the observed ocean state, the requisite large-scale meteorological pattern may not occur frequently enough or even at all in free running climate model simulations. We present a method to ensure that simulated events similar to the observed event are modeled with enough fidelity that robust statistics can be determined given the large scale meteorological conditions. By initializing suitably constrained short term ensemble hindcasts of both the actual weather system and a counterfactual weather system where the human interference in the climate system is removed, the human contribution to the magnitude of the event can be determined. However, the change (if any) in the probability of an event of the observed magnitude is conditional not only on the state of the ocean/sea ice system but also on the prescribed initial conditions determined by the causal large scale meteorological pattern. We will discuss the implications of this technique through two examples; the 2013 Colorado flood and the 2014 Typhoon Haiyan.

Influence of blocking on Northern European and Western Russian heatwaves in large climate model ensembles

NASA Astrophysics Data System (ADS)

Schaller, N.; Sillmann, J.; Anstey, J.; Fischer, E. M.; Grams, C. M.; Russo, S.

2018-05-01

Better preparedness for summer heatwaves could mitigate their adverse effects on society. This can potentially be attained through an increased understanding of the relationship between heatwaves and one of their main dynamical drivers, atmospheric blocking. In the 1979–2015 period, we find that there is a significant correlation between summer heatwave magnitudes and the number of days influenced by atmospheric blocking in Northern Europe and Western Russia. Using three large global climate model ensembles, we find similar correlations, indicating that these three models are able to represent the relationship between extreme temperature and atmospheric blocking, despite having biases in their simulation of individual climate variables such as temperature or geopotential height. Our results emphasize the need to use large ensembles of different global climate models as single realizations do not always capture this relationship. The three large ensembles further suggest that the relationship between summer heatwaves and atmospheric blocking will not change in the future. This could be used to statistically model heatwaves with atmospheric blocking as a covariate and aid decision-makers in planning disaster risk reduction and adaptation to climate change.

Heterogeneous path ensembles for conformational transitions in semi–atomistic models of adenylate kinase

PubMed Central

Bhatt, Divesh; Zuckerman, Daniel M.

2010-01-01

We performed “weighted ensemble” path–sampling simulations of adenylate kinase, using several semi–atomistic protein models. The models have an all–atom backbone with various levels of residue interactions. The primary result is that full statistically rigorous path sampling required only a few weeks of single–processor computing time with these models, indicating the addition of further chemical detail should be readily feasible. Our semi–atomistic path ensembles are consistent with previous biophysical findings: the presence of two distinct pathways, identification of intermediates, and symmetry of forward and reverse pathways. PMID:21660120

Kalman filter data assimilation: targeting observations and parameter estimation.

PubMed

Bellsky, Thomas; Kostelich, Eric J; Mahalov, Alex

2014-06-01

This paper studies the effect of targeted observations on state and parameter estimates determined with Kalman filter data assimilation (DA) techniques. We first provide an analytical result demonstrating that targeting observations within the Kalman filter for a linear model can significantly reduce state estimation error as opposed to fixed or randomly located observations. We next conduct observing system simulation experiments for a chaotic model of meteorological interest, where we demonstrate that the local ensemble transform Kalman filter (LETKF) with targeted observations based on largest ensemble variance is skillful in providing more accurate state estimates than the LETKF with randomly located observations. Additionally, we find that a hybrid ensemble Kalman filter parameter estimation method accurately updates model parameters within the targeted observation context to further improve state estimation.

Kalman filter data assimilation: Targeting observations and parameter estimation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bellsky, Thomas, E-mail: bellskyt@asu.edu; Kostelich, Eric J.; Mahalov, Alex

2014-06-15

This paper studies the effect of targeted observations on state and parameter estimates determined with Kalman filter data assimilation (DA) techniques. We first provide an analytical result demonstrating that targeting observations within the Kalman filter for a linear model can significantly reduce state estimation error as opposed to fixed or randomly located observations. We next conduct observing system simulation experiments for a chaotic model of meteorological interest, where we demonstrate that the local ensemble transform Kalman filter (LETKF) with targeted observations based on largest ensemble variance is skillful in providing more accurate state estimates than the LETKF with randomly locatedmore » observations. Additionally, we find that a hybrid ensemble Kalman filter parameter estimation method accurately updates model parameters within the targeted observation context to further improve state estimation.« less

Reproducing the Ensemble Average Polar Solvation Energy of a Protein from a Single Structure: Gaussian-Based Smooth Dielectric Function for Macromolecular Modeling.

PubMed

Chakravorty, Arghya; Jia, Zhe; Li, Lin; Zhao, Shan; Alexov, Emil

2018-02-13

Typically, the ensemble average polar component of solvation energy (ΔG polar solv ) of a macromolecule is computed using molecular dynamics (MD) or Monte Carlo (MC) simulations to generate conformational ensemble and then single/rigid conformation solvation energy calculation is performed on each snapshot. The primary objective of this work is to demonstrate that Poisson-Boltzmann (PB)-based approach using a Gaussian-based smooth dielectric function for macromolecular modeling previously developed by us (Li et al. J. Chem. Theory Comput. 2013, 9 (4), 2126-2136) can reproduce that ensemble average (ΔG polar solv ) of a protein from a single structure. We show that the Gaussian-based dielectric model reproduces the ensemble average ΔG polar solv (⟨ΔG polar solv ⟩) from an energy-minimized structure of a protein regardless of the minimization environment (structure minimized in vacuo, implicit or explicit waters, or crystal structure); the best case, however, is when it is paired with an in vacuo-minimized structure. In other minimization environments (implicit or explicit waters or crystal structure), the traditional two-dielectric model can still be selected with which the model produces correct solvation energies. Our observations from this work reflect how the ability to appropriately mimic the motion of residues, especially the salt bridge residues, influences a dielectric model's ability to reproduce the ensemble average value of polar solvation free energy from a single in vacuo-minimized structure.

A comparative research of different ensemble surrogate models based on set pair analysis for the DNAPL-contaminated aquifer remediation strategy optimization.

PubMed

Hou, Zeyu; Lu, Wenxi; Xue, Haibo; Lin, Jin

2017-08-01

Surrogate-based simulation-optimization technique is an effective approach for optimizing the surfactant enhanced aquifer remediation (SEAR) strategy for clearing DNAPLs. The performance of the surrogate model, which is used to replace the simulation model for the aim of reducing computation burden, is the key of corresponding researches. However, previous researches are generally based on a stand-alone surrogate model, and rarely make efforts to improve the approximation accuracy of the surrogate model to the simulation model sufficiently by combining various methods. In this regard, we present set pair analysis (SPA) as a new method to build ensemble surrogate (ES) model, and conducted a comparative research to select a better ES modeling pattern for the SEAR strategy optimization problems. Surrogate models were developed using radial basis function artificial neural network (RBFANN), support vector regression (SVR), and Kriging. One ES model is assembling RBFANN model, SVR model, and Kriging model using set pair weights according their performance, and the other is assembling several Kriging (the best surrogate modeling method of three) models built with different training sample datasets. Finally, an optimization model, in which the ES model was embedded, was established to obtain the optimal remediation strategy. The results showed the residuals of the outputs between the best ES model and simulation model for 100 testing samples were lower than 1.5%. Using an ES model instead of the simulation model was critical for considerably reducing the computation time of simulation-optimization process and maintaining high computation accuracy simultaneously. Copyright © 2017 Elsevier B.V. All rights reserved.

An Observational Case Study of Persistent Fog and Comparison with an Ensemble Forecast Model

NASA Astrophysics Data System (ADS)

Price, Jeremy; Porson, Aurore; Lock, Adrian

2015-05-01

We present a study of a persistent case of fog and use the observations to evaluate the UK Met Office ensemble model. The fog appeared to form initially in association with small patches of low-level stratus and spread rapidly across southern England during 11 December 2012, persisting for 24 h. The low visibility and occurrence of fog associated with the event was poorly forecast. Observations show that the surprisingly rapid spreading of the layer was due to a circulation at the fog edge, whereby cold cloudy air subsided into and mixed with warmer adjacent clear air. The resulting air was saturated, and hence the fog layer grew rapidly outwards from its edge. Measurements of fog-droplet deposition made overnight show that an average of 12 g m h was deposited but that the liquid water content remained almost constant, indicating that further liquid was condensing at a similar rate to the deposition, most likely due to the slow cooling. The circulation at the fog edge was also present during its dissipation, by which time the fog top had lowered by 150 m. During this period the continuing circulation at the fog edge, and increasing wind shear at fog top, acted to dissipate the fog by creating mixing with, by then, the drier adjacent and overlying air. Comparisons with a new, high resolution Met Office ensemble model show that this type of case remains challenging to simulate. Most ensemble members successfully simulated the formation and persistence of low stratus cloud in the region, but produced too much cloud initially overnight, which created a warm bias. During the daytime, ensemble predictions that had produced fog lifted it into low stratus, whilst in reality the fog remained present all day. Various aspects of the model performance are discussed further.

Upscaling

NASA Astrophysics Data System (ADS)

Vandenbulcke, Luc; Barth, Alexander

2017-04-01

In the present European operational oceanography context, global and basin-scale models are run daily at different Monitoring and Forecasting Centers from the Copernicus Marine component (CMEMS). Regional forecasting centers, which run outside of CMEMS, then use these forecasts as initial conditions and/or boundary conditions for high-resolution or coastal forecasts. However, these improved simulations are lost to the basin-scale models (i.e. there is no feedback). Therefore, some potential improvements inside (and even outside) the areas covered by regional models are lost, and the risk for discrepancy between basin-scale and regional model remains high. The objective of this study is to simulate two-way nesting by extracting pseudo-observations from the regional models and assimilating them in the basin-scale models. The proposed method is called "upscaling". A ensemble of 100 one-way nested NEMO models of the Mediterranean Sea (Med) (1/16°) and the North-Western Med (1/80°) is implemented to simulate the period 2014-2015. Each member has perturbed initial conditions, atmospheric forcing fields and river discharge data. The Med model uses climatological Rhone river data, while the nested model uses measured daily discharges. The error of the pseudo-observations can be estimated by analyzing the ensemble of nested models. The pseudo-observations are then assimilated in the parent model by means of an Ensemble Kalman Filter. The experiments show that the proposed method improves different processes in the Med model, such as the position of the Northern Current and its incursion (or not) on the Gulf of Lions, the cold water mass on the shelf, and the position of the Rhone river plume. Regarding areas where no operational regional models exist, (some variables of) the parent model can still be improved by relating some resolved parameters to statistical properties of a higher-resolution simulation. This is the topic of a complementary study also presented at the EGU 2017 (Barth et al).

Global operational hydrological forecasts through eWaterCycle

NASA Astrophysics Data System (ADS)

van de Giesen, Nick; Bierkens, Marc; Donchyts, Gennadii; Drost, Niels; Hut, Rolf; Sutanudjaja, Edwin

2015-04-01

Central goal of the eWaterCycle project (www.ewatercycle.org) is the development of an operational hyper-resolution hydrological global model. This model is able to produce 14 day ensemble forecasts based on a hydrological model and operational weather data (presently NOAA's Global Ensemble Forecast System). Special attention is paid to prediction of situations in which water related issues are relevant, such as floods, droughts, navigation, hydropower generation, and irrigation stress. Near-real time satellite data will be assimilated in the hydrological simulations, which is a feature that will be presented for the first time at EGU 2015. First, we address challenges that are mainly computer science oriented but have direct practical hydrological implications. An important feature in this is the use of existing standards and open-source software to the maximum extent possible. For example, we use the Community Surface Dynamics Modeling System (CSDMS) approach to coupling models (Basic Model Interface (BMI)). The hydrological model underlying the project is PCR-GLOBWB, built by Utrecht University. This is the motor behind the predictions and state estimations. Parts of PCR-GLOBWB have been re-engineered to facilitate running it in a High Performance Computing (HPC) environment, run parallel on multiple nodes, as well as to use BMI. Hydrological models are not very CPU intensive compared to, say, atmospheric models. They are, however, memory hungry due to the localized processes and associated effective parameters. To accommodate this memory need, especially in an ensemble setting, a variation on the traditional Ensemble Kalman Filter was developed that needs much less on-chip memory. Due to the operational nature, the coupling of the hydrological model with hydraulic models is very important. The idea is not to run detailed hydraulic routing schemes over the complete globe but to have on-demand simulation prepared off-line with respect to topography and parameterizations. This allows for very detailed simulations at hectare to meter scales, where and when this is needed. At EGU 2015, the operational global eWaterCycle model will be presented for the first time, including forecasts at high resolution, the innovative data assimilation approach, and on-demand coupling with hydraulic models.

Role of a cumulus parameterization scheme in simulating atmospheric circulation and rainfall in the nine-layer Goddard Laboratory for Atmospheres General Circulation Model

NASA Technical Reports Server (NTRS)

Sud, Y. C.; Chao, Winston C.; Walker, G. K.

1992-01-01

The influence of a cumulus convection scheme on the simulated atmospheric circulation and hydrologic cycle is investigated by means of a coarse version of the GCM. Two sets of integrations, each containing an ensemble of three summer simulations, were produced. The ensemble sets of control and experiment simulations are compared and differentially analyzed to determine the influence of a cumulus convection scheme on the simulated circulation and hydrologic cycle. The results show that cumulus parameterization has a very significant influence on the simulation circulation and precipitation. The upper-level condensation heating over the ITCZ is much smaller for the experiment simulations as compared to the control simulations; correspondingly, the Hadley and Walker cells for the control simulations are also weaker and are accompanied by a weaker Ferrel cell in the Southern Hemisphere. Overall, the difference fields show that experiment simulations (without cumulus convection) produce a cooler and less energetic atmosphere.

Muscle activation described with a differential equation model for large ensembles of locally coupled molecular motors.

PubMed

Walcott, Sam

2014-10-01

Molecular motors, by turning chemical energy into mechanical work, are responsible for active cellular processes. Often groups of these motors work together to perform their biological role. Motors in an ensemble are coupled and exhibit complex emergent behavior. Although large motor ensembles can be modeled with partial differential equations (PDEs) by assuming that molecules function independently of their neighbors, this assumption is violated when motors are coupled locally. It is therefore unclear how to describe the ensemble behavior of the locally coupled motors responsible for biological processes such as calcium-dependent skeletal muscle activation. Here we develop a theory to describe locally coupled motor ensembles and apply the theory to skeletal muscle activation. The central idea is that a muscle filament can be divided into two phases: an active and an inactive phase. Dynamic changes in the relative size of these phases are described by a set of linear ordinary differential equations (ODEs). As the dynamics of the active phase are described by PDEs, muscle activation is governed by a set of coupled ODEs and PDEs, building on previous PDE models. With comparison to Monte Carlo simulations, we demonstrate that the theory captures the behavior of locally coupled ensembles. The theory also plausibly describes and predicts muscle experiments from molecular to whole muscle scales, suggesting that a micro- to macroscale muscle model is within reach.

Response of ENSO amplitude to global warming in CESM large ensemble: uncertainty due to internal variability

NASA Astrophysics Data System (ADS)

Zheng, Xiao-Tong; Hui, Chang; Yeh, Sang-Wook

2018-06-01

El Niño-Southern Oscillation (ENSO) is the dominant mode of variability in the coupled ocean-atmospheric system. Future projections of ENSO change under global warming are highly uncertain among models. In this study, the effect of internal variability on ENSO amplitude change in future climate projections is investigated based on a 40-member ensemble from the Community Earth System Model Large Ensemble (CESM-LE) project. A large uncertainty is identified among ensemble members due to internal variability. The inter-member diversity is associated with a zonal dipole pattern of sea surface temperature (SST) change in the mean along the equator, which is similar to the second empirical orthogonal function (EOF) mode of tropical Pacific decadal variability (TPDV) in the unforced control simulation. The uncertainty in CESM-LE is comparable in magnitude to that among models of the Coupled Model Intercomparison Project phase 5 (CMIP5), suggesting the contribution of internal variability to the intermodel uncertainty in ENSO amplitude change. However, the causations between changes in ENSO amplitude and the mean state are distinct between CESM-LE and CMIP5 ensemble. The CESM-LE results indicate that a large ensemble of 15 members is needed to separate the relative contributions to ENSO amplitude change over the twenty-first century between forced response and internal variability.

Arctic sea ice area in CMIP3 and CMIP5 climate model ensembles - variability and change

NASA Astrophysics Data System (ADS)

Semenov, V. A.; Martin, T.; Behrens, L. K.; Latif, M.

2015-02-01

The shrinking Arctic sea ice cover observed during the last decades is probably the clearest manifestation of ongoing climate change. While climate models in general reproduce the sea ice retreat in the Arctic during the 20th century and simulate further sea ice area loss during the 21st century in response to anthropogenic forcing, the models suffer from large biases and the model results exhibit considerable spread. The last generation of climate models from World Climate Research Programme Coupled Model Intercomparison Project Phase 5 (CMIP5), when compared to the previous CMIP3 model ensemble and considering the whole Arctic, were found to be more consistent with the observed changes in sea ice extent during the recent decades. Some CMIP5 models project strongly accelerated (non-linear) sea ice loss during the first half of the 21st century. Here, complementary to previous studies, we compare results from CMIP3 and CMIP5 with respect to regional Arctic sea ice change. We focus on September and March sea ice. Sea ice area (SIA) variability, sea ice concentration (SIC) variability, and characteristics of the SIA seasonal cycle and interannual variability have been analysed for the whole Arctic, termed Entire Arctic, Central Arctic and Barents Sea. Further, the sensitivity of SIA changes to changes in Northern Hemisphere (NH) averaged temperature is investigated and several important dynamical links between SIA and natural climate variability involving the Atlantic Meridional Overturning Circulation (AMOC), North Atlantic Oscillation (NAO) and sea level pressure gradient (SLPG) in the western Barents Sea opening serving as an index of oceanic inflow to the Barents Sea are studied. The CMIP3 and CMIP5 models not only simulate a coherent decline of the Arctic SIA but also depict consistent changes in the SIA seasonal cycle and in the aforementioned dynamical links. The spatial patterns of SIC variability improve in the CMIP5 ensemble, particularly in summer. Both CMIP ensembles depict a significant link between the SIA and NH temperature changes. Our analysis suggests that, on average, the sensitivity of SIA to external forcing is enhanced in the CMIP5 models. The Arctic SIA variability response to anthropogenic forcing is different in CMIP3 and CMIP5. While the CMIP3 models simulate increased variability in March and September, the CMIP5 ensemble shows the opposite tendency. A noticeable improvement in the simulation of summer SIA by the CMIP5 models is often accompanied by worse results for winter SIA characteristics. The relation between SIA and mean AMOC changes is opposite in September and March, with March SIA changes being positively correlated with AMOC slowing. Finally, both CMIP ensembles demonstrate an ability to capture, at least qualitatively, important dynamical links of SIA to decadal variability of the AMOC, NAO and SLPG. SIA in the Barents Sea is strongly overestimated by the majority of the CMIP3 and CMIP5 models, and projected SIA changes are characterized by a large spread giving rise to high uncertainty.

Evolution of precipitation extremes in two large ensembles of climate simulations

NASA Astrophysics Data System (ADS)

Martel, Jean-Luc; Mailhot, Alain; Talbot, Guillaume; Brissette, François; Ludwig, Ralf; Frigon, Anne; Leduc, Martin; Turcotte, Richard

2017-04-01

Recent studies project significant changes in the future distribution of precipitation extremes due to global warming. It is likely that extreme precipitation intensity will increase in a future climate and that extreme events will be more frequent. In this work, annual maxima daily precipitation series from the Canadian Earth System Model (CanESM2) 50-member large ensemble (spatial resolution of 2.8°x2.8°) and the Community Earth System Model (CESM1) 40-member large ensemble (spatial resolution of 1°x1°) are used to investigate extreme precipitation over the historical (1980-2010) and future (2070-2100) periods. The use of these ensembles results in respectively 1 500 (30 years x 50 members) and 1200 (30 years x 40 members) simulated years over both the historical and future periods. These large datasets allow the computation of empirical daily extreme precipitation quantiles for large return periods. Using the CanESM2 and CESM1 large ensembles, extreme daily precipitation with return periods ranging from 2 to 100 years are computed in historical and future periods to assess the impact of climate change. Results indicate that daily precipitation extremes generally increase in the future over most land grid points and that these increases will also impact the 100-year extreme daily precipitation. Considering that many public infrastructures have lifespans exceeding 75 years, the increase in extremes has important implications on service levels of water infrastructures and public safety. Estimated increases in precipitation associated to very extreme precipitation events (e.g. 100 years) will drastically change the likelihood of flooding and their extent in future climate. These results, although interesting, need to be extended to sub-daily durations, relevant for urban flooding protection and urban infrastructure design (e.g. sewer networks, culverts). Models and simulations at finer spatial and temporal resolution are therefore needed.

An evaluation of soil water outlooks for winter wheat in south-eastern Australia

NASA Astrophysics Data System (ADS)

Western, A. W.; Dassanayake, K. B.; Perera, K. C.; Alves, O.; Young, G.; Argent, R.

2015-12-01

Abstract: Soil moisture is a key limiting resource for rain-fed cropping in Australian broad-acre cropping zones. Seasonal rainfall and temperature outlooks are standard operational services offered by the Australian Bureau of Meteorology and are routinely used to support agricultural decisions. This presentation examines the performance of proposed soil water seasonal outlooks in the context of wheat cropping in south-eastern Australia (autumn planting, late spring harvest). We used weather ensembles simulated by the Predictive Ocean-Atmosphere Model for Australia (POAMA), as input to the Agricultural Production Simulator (APSIM) to construct ensemble soil water "outlooks" at twenty sites. Hindcasts were made over a 33 year period using the 33 POAMA ensemble members. The overall modelling flow involved: 1. Downscaling of the daily weather series (rainfall, minimum and maximum temperature, humidity, radiation) from the ~250km POAMA grid scale to a local weather station using quantile-quantile correction. This was based on a 33 year observation record extracted from the SILO data drill product. 2. Using APSIM to produce soil water ensembles from the downscaled weather ensembles. A warm up period of 5 years of observed weather was followed by a 9 month hindcast period based on each ensemble member. 3. The soil water ensembles were summarized by estimating the proportion of outlook ensembles in each climatological tercile, where the climatology was constructed using APSIM and observed weather from the 33 years of hindcasts at the relevant site. 4. The soil water outlooks were evaluated for different lead times and months using a "truth" run of APSIM based on observed weather. Outlooks generally have useful some forecast skill for lead times of up to two-three months, except late spring; in line with current useful lead times for rainfall outlooks. Better performance was found in summer and autumn when vegetation cover and water use is low.

Predictability of the 1997 and 1998 South Asian Summer Monsoons on the Intraseasonal Time Scale Based on 10 AMIP2 Model Runs

NASA Technical Reports Server (NTRS)

Wu, Man Li C.; Schubert, Siegfried; Einaudi, Franco (Technical Monitor)

2000-01-01

Predictability of the 1997 and 1998 South Asian summer monsoons is examined using National Centers for Environmental Prediction/National Center for Atmospheric Research (NCEP/NCAR) reanalyses, and 100 two-year simulations with ten different Atmospheric General Circulation Models (AGCMs) with prescribed sea surface temperature (SST). We focus on the intraseasonal variations of the south Asian summer monsoon associated with the Madden-Julian Oscillation (MJO). The NCEP/NCAR reanalysis shows a clear coupling between SST anomalies and upper level velocity potential anomalies associated with the MJO. We analyze several MJO events that developed during the 1997 and 1998 focusing of the coupling with the SST. The same analysis is carried out for the model simulations. Remarkably, the ensemble mean of the two-year AGCM simulations show a signature of the observed MJO events. The ensemble mean simulated MJO events are approximately in phase with the observed events, although they are weaker, the period of oscillation is somewhat longer, and their onset is delayed by about ten days compared with the observations. Details of the analysis and comparisons among the ten AMIP2 (Atmospheric Model Intercomparison Project) models will be presented in the conference.

Hyper-Parallel Tempering Monte Carlo Method and It's Applications

NASA Astrophysics Data System (ADS)

Yan, Qiliang; de Pablo, Juan

2000-03-01

A new generalized hyper-parallel tempering Monte Carlo molecular simulation method is presented for study of complex fluids. The method is particularly useful for simulation of many-molecule complex systems, where rough energy landscapes and inherently long characteristic relaxation times can pose formidable obstacles to effective sampling of relevant regions of configuration space. The method combines several key elements from expanded ensemble formalisms, parallel-tempering, open ensemble simulations, configurational bias techniques, and histogram reweighting analysis of results. It is found to accelerate significantly the diffusion of a complex system through phase-space. In this presentation, we demonstrate the effectiveness of the new method by implementing it in grand canonical ensembles for a Lennard-Jones fluid, for the restricted primitive model of electrolyte solutions (RPM), and for polymer solutions and blends. Our results indicate that the new algorithm is capable of overcoming the large free energy barriers associated with phase transitions, thereby greatly facilitating the simulation of coexistence properties. It is also shown that the method can be orders of magnitude more efficient than previously available techniques. More importantly, the method is relatively simple and can be incorporated into existing simulation codes with minor efforts.

Verification of ECMWF System 4 for seasonal hydrological forecasting in a northern climate

NASA Astrophysics Data System (ADS)

Bazile, Rachel; Boucher, Marie-Amélie; Perreault, Luc; Leconte, Robert

2017-11-01

Hydropower production requires optimal dam and reservoir management to prevent flooding damage and avoid operation losses. In a northern climate, where spring freshet constitutes the main inflow volume, seasonal forecasts can help to establish a yearly strategy. Long-term hydrological forecasts often rely on past observations of streamflow or meteorological data. Another alternative is to use ensemble meteorological forecasts produced by climate models. In this paper, those produced by the ECMWF (European Centre for Medium-Range Forecast) System 4 are examined and bias is characterized. Bias correction, through the linear scaling method, improves the performance of the raw ensemble meteorological forecasts in terms of continuous ranked probability score (CRPS). Then, three seasonal ensemble hydrological forecasting systems are compared: (1) the climatology of simulated streamflow, (2) the ensemble hydrological forecasts based on climatology (ESP) and (3) the hydrological forecasts based on bias-corrected ensemble meteorological forecasts from System 4 (corr-DSP). Simulated streamflow computed using observed meteorological data is used as benchmark. Accounting for initial conditions is valuable even for long-term forecasts. ESP and corr-DSP both outperform the climatology of simulated streamflow for lead times from 1 to 5 months depending on the season and watershed. Integrating information about future meteorological conditions also improves monthly volume forecasts. For the 1-month lead time, a gain exists for almost all watersheds during winter, summer and fall. However, volume forecasts performance for spring varies from one watershed to another. For most of them, the performance is close to the performance of ESP. For longer lead times, the CRPS skill score is mostly in favour of ESP, even if for many watersheds, ESP and corr-DSP have comparable skill. Corr-DSP appears quite reliable but, in some cases, under-dispersion or bias is observed. A more complex bias-correction method should be further investigated to remedy this weakness and take more advantage of the ensemble forecasts produced by the climate model. Overall, in this study, bias-corrected ensemble meteorological forecasts appear to be an interesting source of information for hydrological forecasting for lead times up to 1 month. They could also complement ESP for longer lead times.

Cyclone Activity in the Arctic From an Ensemble of Regional Climate Models (Arctic CORDEX)

NASA Astrophysics Data System (ADS)

Akperov, Mirseid; Rinke, Annette; Mokhov, Igor I.; Matthes, Heidrun; Semenov, Vladimir A.; Adakudlu, Muralidhar; Cassano, John; Christensen, Jens H.; Dembitskaya, Mariya A.; Dethloff, Klaus; Fettweis, Xavier; Glisan, Justin; Gutjahr, Oliver; Heinemann, Günther; Koenigk, Torben; Koldunov, Nikolay V.; Laprise, René; Mottram, Ruth; Nikiéma, Oumarou; Scinocca, John F.; Sein, Dmitry; Sobolowski, Stefan; Winger, Katja; Zhang, Wenxin

2018-03-01

The ability of state-of-the-art regional climate models to simulate cyclone activity in the Arctic is assessed based on an ensemble of 13 simulations from 11 models from the Arctic-CORDEX initiative. Some models employ large-scale spectral nudging techniques. Cyclone characteristics simulated by the ensemble are compared with the results forced by four reanalyses (ERA-Interim, National Centers for Environmental Prediction-Climate Forecast System Reanalysis, National Aeronautics and Space Administration-Modern-Era Retrospective analysis for Research and Applications Version 2, and Japan Meteorological Agency-Japanese 55-year reanalysis) in winter and summer for 1981-2010 period. In addition, we compare cyclone statistics between ERA-Interim and the Arctic System Reanalysis reanalyses for 2000-2010. Biases in cyclone frequency, intensity, and size over the Arctic are also quantified. Variations in cyclone frequency across the models are partly attributed to the differences in cyclone frequency over land. The variations across the models are largest for small and shallow cyclones for both seasons. A connection between biases in the zonal wind at 200 hPa and cyclone characteristics is found for both seasons. Most models underestimate zonal wind speed in both seasons, which likely leads to underestimation of cyclone mean depth and deep cyclone frequency in the Arctic. In general, the regional climate models are able to represent the spatial distribution of cyclone characteristics in the Arctic but models that employ large-scale spectral nudging show a better agreement with ERA-Interim reanalysis than the rest of the models. Trends also exhibit the benefits of nudging. Models with spectral nudging are able to reproduce the cyclone trends, whereas most of the nonnudged models fail to do so. However, the cyclone characteristics and trends are sensitive to the choice of nudged variables.

Are we using the right fuel to drive hydrological models? A climate impact study in the Upper Blue Nile

NASA Astrophysics Data System (ADS)

Liersch, Stefan; Tecklenburg, Julia; Rust, Henning; Dobler, Andreas; Fischer, Madlen; Kruschke, Tim; Koch, Hagen; Fokko Hattermann, Fred

2018-04-01

Climate simulations are the fuel to drive hydrological models that are used to assess the impacts of climate change and variability on hydrological parameters, such as river discharges, soil moisture, and evapotranspiration. Unlike with cars, where we know which fuel the engine requires, we never know in advance what unexpected side effects might be caused by the fuel we feed our models with. Sometimes we increase the fuel's octane number (bias correction) to achieve better performance and find out that the model behaves differently but not always as was expected or desired. This study investigates the impacts of projected climate change on the hydrology of the Upper Blue Nile catchment using two model ensembles consisting of five global CMIP5 Earth system models and 10 regional climate models (CORDEX Africa). WATCH forcing data were used to calibrate an eco-hydrological model and to bias-correct both model ensembles using slightly differing approaches. On the one hand it was found that the bias correction methods considerably improved the performance of average rainfall characteristics in the reference period (1970-1999) in most of the cases. This also holds true for non-extreme discharge conditions between Q20 and Q80. On the other hand, bias-corrected simulations tend to overemphasize magnitudes of projected change signals and extremes. A general weakness of both uncorrected and bias-corrected simulations is the rather poor representation of high and low flows and their extremes, which were often deteriorated by bias correction. This inaccuracy is a crucial deficiency for regional impact studies dealing with water management issues and it is therefore important to analyse model performance and characteristics and the effect of bias correction, and eventually to exclude some climate models from the ensemble. However, the multi-model means of all ensembles project increasing average annual discharges in the Upper Blue Nile catchment and a shift in seasonal patterns, with decreasing discharges in June and July and increasing discharges from August to November.

Projecting malaria hazard from climate change in eastern Africa using large ensembles to estimate uncertainty.

PubMed

Leedale, Joseph; Tompkins, Adrian M; Caminade, Cyril; Jones, Anne E; Nikulin, Grigory; Morse, Andrew P

2016-03-31

The effect of climate change on the spatiotemporal dynamics of malaria transmission is studied using an unprecedented ensemble of climate projections, employing three diverse bias correction and downscaling techniques, in order to partially account for uncertainty in climate- driven malaria projections. These large climate ensembles drive two dynamical and spatially explicit epidemiological malaria models to provide future hazard projections for the focus region of eastern Africa. While the two malaria models produce very distinct transmission patterns for the recent climate, their response to future climate change is similar in terms of sign and spatial distribution, with malaria transmission moving to higher altitudes in the East African Community (EAC) region, while transmission reduces in lowland, marginal transmission zones such as South Sudan. The climate model ensemble generally projects warmer and wetter conditions over EAC. The simulated malaria response appears to be driven by temperature rather than precipitation effects. This reduces the uncertainty due to the climate models, as precipitation trends in tropical regions are very diverse, projecting both drier and wetter conditions with the current state-of-the-art climate model ensemble. The magnitude of the projected changes differed considerably between the two dynamical malaria models, with one much more sensitive to climate change, highlighting that uncertainty in the malaria projections is also associated with the disease modelling approach.

Estimating Convection Parameters in the GFDL CM2.1 Model Using Ensemble Data Assimilation

NASA Astrophysics Data System (ADS)

Li, Shan; Zhang, Shaoqing; Liu, Zhengyu; Lu, Lv; Zhu, Jiang; Zhang, Xuefeng; Wu, Xinrong; Zhao, Ming; Vecchi, Gabriel A.; Zhang, Rong-Hua; Lin, Xiaopei

2018-04-01

Parametric uncertainty in convection parameterization is one major source of model errors that cause model climate drift. Convection parameter tuning has been widely studied in atmospheric models to help mitigate the problem. However, in a fully coupled general circulation model (CGCM), convection parameters which impact the ocean as well as the climate simulation may have different optimal values. This study explores the possibility of estimating convection parameters with an ensemble coupled data assimilation method in a CGCM. Impacts of the convection parameter estimation on climate analysis and forecast are analyzed. In a twin experiment framework, five convection parameters in the GFDL coupled model CM2.1 are estimated individually and simultaneously under both perfect and imperfect model regimes. Results show that the ensemble data assimilation method can help reduce the bias in convection parameters. With estimated convection parameters, the analyses and forecasts for both the atmosphere and the ocean are generally improved. It is also found that information in low latitudes is relatively more important for estimating convection parameters. This study further suggests that when important parameters in appropriate physical parameterizations are identified, incorporating their estimation into traditional ensemble data assimilation procedure could improve the final analysis and climate prediction.

Dynamically-downscaled temperature and precipitation changes over Saskatchewan using the PRECIS model

NASA Astrophysics Data System (ADS)

Zhou, Xiong; Huang, Guohe; Wang, Xiuquan; Cheng, Guanhui

2018-02-01

In this study, dynamically-downscaled temperature and precipitation changes over Saskatchewan are developed through the Providing Regional Climates for Impacts Studies (PRECIS) model. It can resolve detailed features within GCM grids such as topography, clouds, and land use in Saskatchewan. The PRECIS model is employed to carry out ensemble simulations for projections of temperature and precipitation changes over Saskatchewan. Temperature and precipitation variables at 14 weather stations for the baseline period are first extracted from each model run. Ranges of simulated temperature and precipitation variables are then obtained through combination of maximum and minimum values calculated from the five ensemble runs. The performance of PRECIS ensemble simulations can be evaluated through checking if observations of current temperature at each weather station are within the simulated range. Future climate projections are analyzed over three time slices (i.e., the 2030s, 2050s, and 2080s) to help understand the plausible changes in temperature and precipitation over Saskatchewan in response to global warming. The evaluation results show that the PRECIS ensemble simulations perform very well in terms of capturing the spatial patterns of temperature and precipitation variables. The results of future climate projections over three time slices indicate that there will be an obvious warming trend from the 2030s, to the 2050s, and the 2080s over Saskatchewan. The projected changes of mean temperature over the whole Saskatchewan area is [0, 2] °C in the 2030s at 10th percentile, [2, 5.5] °C in the 2050s at 50th percentile, and [3, 10] °C in the 2090s at 90th percentile. There are no significant changes in the spatial patterns of the projected total precipitation from the 2030s to the end of this century. The minimum change of the projected total precipitation over the whole Province of Saskatchewan is most likely to be -1.3% in the 2030s, and -0.2% in the 2050s, while the minimum value would be -2.1% to the end of this century at 50th percentile.

A nonparametric statistical technique for combining global precipitation datasets: development and hydrological evaluation over the Iberian Peninsula

NASA Astrophysics Data System (ADS)

Abul Ehsan Bhuiyan, Md; Nikolopoulos, Efthymios I.; Anagnostou, Emmanouil N.; Quintana-Seguí, Pere; Barella-Ortiz, Anaïs

2018-02-01

This study investigates the use of a nonparametric, tree-based model, quantile regression forests (QRF), for combining multiple global precipitation datasets and characterizing the uncertainty of the combined product. We used the Iberian Peninsula as the study area, with a study period spanning 11 years (2000-2010). Inputs to the QRF model included three satellite precipitation products, CMORPH, PERSIANN, and 3B42 (V7); an atmospheric reanalysis precipitation and air temperature dataset; satellite-derived near-surface daily soil moisture data; and a terrain elevation dataset. We calibrated the QRF model for two seasons and two terrain elevation categories and used it to generate ensemble for these conditions. Evaluation of the combined product was based on a high-resolution, ground-reference precipitation dataset (SAFRAN) available at 5 km 1 h-1 resolution. Furthermore, to evaluate relative improvements and the overall impact of the combined product in hydrological response, we used the generated ensemble to force a distributed hydrological model (the SURFEX land surface model and the RAPID river routing scheme) and compared its streamflow simulation results with the corresponding simulations from the individual global precipitation and reference datasets. We concluded that the proposed technique could generate realizations that successfully encapsulate the reference precipitation and provide significant improvement in streamflow simulations, with reduction in systematic and random error on the order of 20-99 and 44-88 %, respectively, when considering the ensemble mean.

CMIP5 Historical Simulations (1850-2012) with GISS ModelE2

NASA Technical Reports Server (NTRS)

Miller, Ronald Lindsay; Schmidt, Gavin A.; Nazarenko, Larissa S.; Tausnev, Nick; Bauer, Susanne E.; DelGenio, Anthony D.; Kelley, Max; Lo, Ken K.; Ruedy, Reto; Shindell, Drew T.;

How much rainfall sustained a Green Sahara during the mid-Holocene?

NASA Astrophysics Data System (ADS)

Hopcroft, Peter; Valdes, Paul; Harper, Anna

2016-04-01

The present-day Sahara desert has periodically transformed to an area of lakes and vegetation during the Quaternary in response to orbitally-induced changes in the monsoon circulation. Coupled atmosphere-ocean general circulation model simulations of the mid-Holocene generally underestimate the required monsoon shift, casting doubt on the fidelity of these models. However, the climatic regime that characterised this period remains unclear. To address this, we applied an ensemble of dynamic vegetation model simulations using two different models: JULES (Joint UK Land Environment Simulator) a comprehensive land surface model, and LPJ (Lund-Potsdam-Jena model) a widely used dynamic vegetation model. The simulations are forced with a number of idealized climate scenarios, in which an observational climatology is progressively altered with imposed anomalies of precipitation and other related variables, including cloud cover and humidity. The applied anomalies are based on an ensemble of general circulation model simulations, and include seasonal variations but are spatially uniform across the region. When perturbing precipitation alone, a significant increase of at least 700mm/year is required to produce model simulations with non-negligible vegetation coverage in the Sahara region. Changes in related variables including cloud cover, surface radiation fluxes and humidity are found to be important in the models, as they modify the water balance and so affect plant growth. Including anomalies in all of these variables together reduces the precipitation change required for a Green Sahara compared to the case of increasing precipitation alone. We assess whether the precipitation changes implied by these vegetation model simulations are consistent with reconstructions for the mid-Holocene from pollen samples. Further, Earth System models predict precipitation increases that are significantly smaller than that inferred from these vegetation model simulations. Understanding this difference presents an ongoing challenge.

Evaluating lossy data compression on climate simulation data within a large ensemble

DOE PAGES

Baker, Allison H.; Hammerling, Dorit M.; Mickelson, Sheri A.; ...

2016-12-07

High-resolution Earth system model simulations generate enormous data volumes, and retaining the data from these simulations often strains institutional storage resources. Further, these exceedingly large storage requirements negatively impact science objectives, for example, by forcing reductions in data output frequency, simulation length, or ensemble size. To lessen data volumes from the Community Earth System Model (CESM), we advocate the use of lossy data compression techniques. While lossy data compression does not exactly preserve the original data (as lossless compression does), lossy techniques have an advantage in terms of smaller storage requirements. To preserve the integrity of the scientific simulation data,more » the effects of lossy data compression on the original data should, at a minimum, not be statistically distinguishable from the natural variability of the climate system, and previous preliminary work with data from CESM has shown this goal to be attainable. However, to ultimately convince climate scientists that it is acceptable to use lossy data compression, we provide climate scientists with access to publicly available climate data that have undergone lossy data compression. In particular, we report on the results of a lossy data compression experiment with output from the CESM Large Ensemble (CESM-LE) Community Project, in which we challenge climate scientists to examine features of the data relevant to their interests, and attempt to identify which of the ensemble members have been compressed and reconstructed. We find that while detecting distinguishing features is certainly possible, the compression effects noticeable in these features are often unimportant or disappear in post-processing analyses. In addition, we perform several analyses that directly compare the original data to the reconstructed data to investigate the preservation, or lack thereof, of specific features critical to climate science. Overall, we conclude that applying lossy data compression to climate simulation data is both advantageous in terms of data reduction and generally acceptable in terms of effects on scientific results.« less

Evaluating lossy data compression on climate simulation data within a large ensemble

NASA Astrophysics Data System (ADS)

Baker, Allison H.; Hammerling, Dorit M.; Mickelson, Sheri A.; Xu, Haiying; Stolpe, Martin B.; Naveau, Phillipe; Sanderson, Ben; Ebert-Uphoff, Imme; Samarasinghe, Savini; De Simone, Francesco; Carbone, Francesco; Gencarelli, Christian N.; Dennis, John M.; Kay, Jennifer E.; Lindstrom, Peter

2016-12-01

High-resolution Earth system model simulations generate enormous data volumes, and retaining the data from these simulations often strains institutional storage resources. Further, these exceedingly large storage requirements negatively impact science objectives, for example, by forcing reductions in data output frequency, simulation length, or ensemble size. To lessen data volumes from the Community Earth System Model (CESM), we advocate the use of lossy data compression techniques. While lossy data compression does not exactly preserve the original data (as lossless compression does), lossy techniques have an advantage in terms of smaller storage requirements. To preserve the integrity of the scientific simulation data, the effects of lossy data compression on the original data should, at a minimum, not be statistically distinguishable from the natural variability of the climate system, and previous preliminary work with data from CESM has shown this goal to be attainable. However, to ultimately convince climate scientists that it is acceptable to use lossy data compression, we provide climate scientists with access to publicly available climate data that have undergone lossy data compression. In particular, we report on the results of a lossy data compression experiment with output from the CESM Large Ensemble (CESM-LE) Community Project, in which we challenge climate scientists to examine features of the data relevant to their interests, and attempt to identify which of the ensemble members have been compressed and reconstructed. We find that while detecting distinguishing features is certainly possible, the compression effects noticeable in these features are often unimportant or disappear in post-processing analyses. In addition, we perform several analyses that directly compare the original data to the reconstructed data to investigate the preservation, or lack thereof, of specific features critical to climate science. Overall, we conclude that applying lossy data compression to climate simulation data is both advantageous in terms of data reduction and generally acceptable in terms of effects on scientific results.

Evaluating lossy data compression on climate simulation data within a large ensemble

DOE Office of Scientific and Technical Information (OSTI.GOV)

Baker, Allison H.; Hammerling, Dorit M.; Mickelson, Sheri A.

High-resolution Earth system model simulations generate enormous data volumes, and retaining the data from these simulations often strains institutional storage resources. Further, these exceedingly large storage requirements negatively impact science objectives, for example, by forcing reductions in data output frequency, simulation length, or ensemble size. To lessen data volumes from the Community Earth System Model (CESM), we advocate the use of lossy data compression techniques. While lossy data compression does not exactly preserve the original data (as lossless compression does), lossy techniques have an advantage in terms of smaller storage requirements. To preserve the integrity of the scientific simulation data,more » the effects of lossy data compression on the original data should, at a minimum, not be statistically distinguishable from the natural variability of the climate system, and previous preliminary work with data from CESM has shown this goal to be attainable. However, to ultimately convince climate scientists that it is acceptable to use lossy data compression, we provide climate scientists with access to publicly available climate data that have undergone lossy data compression. In particular, we report on the results of a lossy data compression experiment with output from the CESM Large Ensemble (CESM-LE) Community Project, in which we challenge climate scientists to examine features of the data relevant to their interests, and attempt to identify which of the ensemble members have been compressed and reconstructed. We find that while detecting distinguishing features is certainly possible, the compression effects noticeable in these features are often unimportant or disappear in post-processing analyses. In addition, we perform several analyses that directly compare the original data to the reconstructed data to investigate the preservation, or lack thereof, of specific features critical to climate science. Overall, we conclude that applying lossy data compression to climate simulation data is both advantageous in terms of data reduction and generally acceptable in terms of effects on scientific results.« less

Designing Free Energy Surfaces That Match Experimental Data with Metadynamics

DOE PAGES

White, Andrew D.; Dama, James F.; Voth, Gregory A.

2015-04-30

Creating models that are consistent with experimental data is essential in molecular modeling. This is often done by iteratively tuning the molecular force field of a simulation to match experimental data. An alternative method is to bias a simulation, leading to a hybrid model composed of the original force field and biasing terms. Previously we introduced such a method called experiment directed simulation (EDS). EDS minimally biases simulations to match average values. We also introduce a new method called experiment directed metadynamics (EDM) that creates minimal biases for matching entire free energy surfaces such as radial distribution functions and phi/psimore » angle free energies. It is also possible with EDM to create a tunable mixture of the experimental data and free energy of the unbiased ensemble with explicit ratios. EDM can be proven to be convergent, and we also present proof, via a maximum entropy argument, that the final bias is minimal and unique. Examples of its use are given in the construction of ensembles that follow a desired free energy. Finally, the example systems studied include a Lennard-Jones fluid made to match a radial distribution function, an atomistic model augmented with bioinformatics data, and a three-component electrolyte solution where ab initio simulation data is used to improve a classical empirical model.« less

Designing free energy surfaces that match experimental data with metadynamics.

PubMed

White, Andrew D; Dama, James F; Voth, Gregory A

2015-06-09

Creating models that are consistent with experimental data is essential in molecular modeling. This is often done by iteratively tuning the molecular force field of a simulation to match experimental data. An alternative method is to bias a simulation, leading to a hybrid model composed of the original force field and biasing terms. We previously introduced such a method called experiment directed simulation (EDS). EDS minimally biases simulations to match average values. In this work, we introduce a new method called experiment directed metadynamics (EDM) that creates minimal biases for matching entire free energy surfaces such as radial distribution functions and phi/psi angle free energies. It is also possible with EDM to create a tunable mixture of the experimental data and free energy of the unbiased ensemble with explicit ratios. EDM can be proven to be convergent, and we also present proof, via a maximum entropy argument, that the final bias is minimal and unique. Examples of its use are given in the construction of ensembles that follow a desired free energy. The example systems studied include a Lennard-Jones fluid made to match a radial distribution function, an atomistic model augmented with bioinformatics data, and a three-component electrolyte solution where ab initio simulation data is used to improve a classical empirical model.

Evaluation of ACCMIP Outgoing Longwave Radiation from Tropospheric Ozone Using TES Satellite Observations.

NASA Technical Reports Server (NTRS)

Bowman, Kevin W.; Shindell, Drew Todd; Worden, H. M.; Lamarque, J. F.; Young, P. J.; Stevenson, D. S.; Qu, Z.; delaTorre, M.; Bergmann, D.; Cameron-Smith, P. J.;

Simulation of weak polyelectrolytes: a comparison between the constant pH and the reaction ensemble method

NASA Astrophysics Data System (ADS)

Landsgesell, Jonas; Holm, Christian; Smiatek, Jens

2017-03-01

The reaction ensemble and the constant pH method are well-known chemical equilibrium approaches to simulate protonation and deprotonation reactions in classical molecular dynamics and Monte Carlo simulations. In this article, we demonstrate the similarity between both methods under certain conditions. We perform molecular dynamics simulations of a weak polyelectrolyte in order to compare the titration curves obtained by both approaches. Our findings reveal a good agreement between the methods when the reaction ensemble is used to sweep the reaction constant. Pronounced differences between the reaction ensemble and the constant pH method can be observed for stronger acids and bases in terms of adaptive pH values. These deviations are due to the presence of explicit protons in the reaction ensemble method which induce a screening of electrostatic interactions between the charged titrable groups of the polyelectrolyte. The outcomes of our simulation hint to a better applicability of the reaction ensemble method for systems in confined geometries and titrable groups in polyelectrolytes with different pKa values.

Gibbs Ensembles for Nearly Compatible and Incompatible Conditional Models

PubMed Central

Chen, Shyh-Huei; Wang, Yuchung J.

2010-01-01

Gibbs sampler has been used exclusively for compatible conditionals that converge to a unique invariant joint distribution. However, conditional models are not always compatible. In this paper, a Gibbs sampling-based approach — Gibbs ensemble —is proposed to search for a joint distribution that deviates least from a prescribed set of conditional distributions. The algorithm can be easily scalable such that it can handle large data sets of high dimensionality. Using simulated data, we show that the proposed approach provides joint distributions that are less discrepant from the incompatible conditionals than those obtained by other methods discussed in the literature. The ensemble approach is also applied to a data set regarding geno-polymorphism and response to chemotherapy in patients with metastatic colorectal PMID:21286232

Simultaneous calibration of ensemble river flow predictions over an entire range of lead times

NASA Astrophysics Data System (ADS)

Hemri, S.; Fundel, F.; Zappa, M.

2013-10-01

Probabilistic estimates of future water levels and river discharge are usually simulated with hydrologic models using ensemble weather forecasts as main inputs. As hydrologic models are imperfect and the meteorological ensembles tend to be biased and underdispersed, the ensemble forecasts for river runoff typically are biased and underdispersed, too. Thus, in order to achieve both reliable and sharp predictions statistical postprocessing is required. In this work Bayesian model averaging (BMA) is applied to statistically postprocess ensemble runoff raw forecasts for a catchment in Switzerland, at lead times ranging from 1 to 240 h. The raw forecasts have been obtained using deterministic and ensemble forcing meteorological models with different forecast lead time ranges. First, BMA is applied based on mixtures of univariate normal distributions, subject to the assumption of independence between distinct lead times. Then, the independence assumption is relaxed in order to estimate multivariate runoff forecasts over the entire range of lead times simultaneously, based on a BMA version that uses multivariate normal distributions. Since river runoff is a highly skewed variable, Box-Cox transformations are applied in order to achieve approximate normality. Both univariate and multivariate BMA approaches are able to generate well calibrated probabilistic forecasts that are considerably sharper than climatological forecasts. Additionally, multivariate BMA provides a promising approach for incorporating temporal dependencies into the postprocessed forecasts. Its major advantage against univariate BMA is an increase in reliability when the forecast system is changing due to model availability.

A stochastic simulator of birth-death master equations with application to phylodynamics.

PubMed

Vaughan, Timothy G; Drummond, Alexei J

2013-06-01

In this article, we present a versatile new software tool for the simulation and analysis of stochastic models of population phylodynamics and chemical kinetics. Models are specified via an expressive and human-readable XML format and can be used as the basis for generating either single population histories or large ensembles of such histories. Importantly, phylogenetic trees or networks can be generated alongside the histories they correspond to, enabling investigations into the interplay between genealogies and population dynamics. Summary statistics such as means and variances can be recorded in place of the full ensemble, allowing for a reduction in the amount of memory used--an important consideration for models including large numbers of individual subpopulations or demes. In the case of population size histories, the resulting simulation output is written to disk in the flexible JSON format, which is easily read into numerical analysis environments such as R for visualization or further processing. Simulated phylogenetic trees can be recorded using the standard Newick or NEXUS formats, with extensions to these formats used for non-tree-like inheritance relationships.

A Stochastic Simulator of Birth–Death Master Equations with Application to Phylodynamics

PubMed Central

Vaughan, Timothy G.; Drummond, Alexei J.

2013-01-01

In this article, we present a versatile new software tool for the simulation and analysis of stochastic models of population phylodynamics and chemical kinetics. Models are specified via an expressive and human-readable XML format and can be used as the basis for generating either single population histories or large ensembles of such histories. Importantly, phylogenetic trees or networks can be generated alongside the histories they correspond to, enabling investigations into the interplay between genealogies and population dynamics. Summary statistics such as means and variances can be recorded in place of the full ensemble, allowing for a reduction in the amount of memory used—an important consideration for models including large numbers of individual subpopulations or demes. In the case of population size histories, the resulting simulation output is written to disk in the flexible JSON format, which is easily read into numerical analysis environments such as R for visualization or further processing. Simulated phylogenetic trees can be recorded using the standard Newick or NEXUS formats, with extensions to these formats used for non-tree-like inheritance relationships. PMID:23505043

Virulo

EPA Science Inventory

Virulo is a probabilistic model for predicting virus attenuation. Monte Carlo methods are used to generate ensemble simulations of virus attenuation due to physical, biological, and chemical factors. The model generates a probability of failure to achieve a chosen degree o...

Emergent 1d Ising Behavior in AN Elementary Cellular Automaton Model

NASA Astrophysics Data System (ADS)

Kassebaum, Paul G.; Iannacchione, Germano S.

The fundamental nature of an evolving one-dimensional (1D) Ising model is investigated with an elementary cellular automaton (CA) simulation. The emergent CA simulation employs an ensemble of cells in one spatial dimension, each cell capable of two microstates interacting with simple nearest-neighbor rules and incorporating an external field. The behavior of the CA model provides insight into the dynamics of coupled two-state systems not expressible by exact analytical solutions. For instance, state progression graphs show the causal dynamics of a system through time in relation to the system's entropy. Unique graphical analysis techniques are introduced through difference patterns, diffusion patterns, and state progression graphs of the 1D ensemble visualizing the evolution. All analyses are consistent with the known behavior of the 1D Ising system. The CA simulation and new pattern recognition techniques are scalable (in both dimension, complexity, and size) and have many potential applications such as complex design of materials, control of agent systems, and evolutionary mechanism design.

Forced and Free Intra-Seasonal Variability Over the South Asian Monsoon Region Simulated by 10 AGCMs

NASA Technical Reports Server (NTRS)

Wu, Man Li C.; Kang, In-Sik; Waliser, Duane; Atlas, Robert (Technical Monitor)

2001-01-01

This study examines intra-seasonal (20-70 day) variability in the South Asian monsoon region during 1997/98 in ensembles of 10 simulations with 10 different atmospheric general circulation models. The 10 ensemble members for each model are forced with the same observed weekly sea surface temperature (SST) but differ from each other in that they are started from different initial atmospheric conditions. The results show considerable differences between the models in the simulated 20-70 day variability, ranging from much weaker to much stronger than the observed. A key result is that the models do produce, to varying degrees, a response to the imposed weekly SST. The forced variability tends to be largest in the Indian and western Pacific Oceans where, for some models, it accounts for more than 1/4 of the 20-70 day intra-seasonal variability in the upper level velocity potential during these two years. A case study of a strong observed MJO (intraseasonal oscillation) event shows that the models produce an ensemble mean eastward propagating signal in the tropical precipitation field over the Indian Ocean and western Pacific, similar to that found in the observations. The associated forced 200 mb velocity potential anomalies are strongly phase locked with the precipitation anomalies, propagating slowly to the east (about 5 m/s) with a local zonal wave number two pattern that is generally consistent with the developing observed MJO. The simulated and observed events are, however, approximately in quadrature, with the simulated response 2 leading by 5-10 days. The phase lag occurs because, in the observations, the positive SST anomalies develop upstream of the main convective center in the subsidence region of the MJO, while in the simulations, the forced component is in phase with the SST. For all the models examined here, the intraseasonal variability is dominated by the free (intra-ensemble) component. The results of our case study show that the free variability has a predominately zonal wave number one pattern, and has propagation speeds (10 - 15 m/s) that are more typical of observed MJO behavior away from the convectively active regions. The free variability appears to be synchronized with the forced response, at least, during the strong event examined here. The results of this study support the idea that coupling with SSTs plays an important, though probably not dominant, role in the MJO. The magnitude of the atmospheric response to the SST appears to be in the range of 15% - 30% of the 20-70 day variability over much of the tropical eastern Indian and western Pacific Oceans. The results also highlight the need to use caution when interpreting atmospheric model simulations in which the prescribed SST resolve MJO time scales.

Development of Super-Ensemble techniques for ocean analyses: the Mediterranean Sea case

NASA Astrophysics Data System (ADS)

Pistoia, Jenny; Pinardi, Nadia; Oddo, Paolo; Collins, Matthew; Korres, Gerasimos; Drillet, Yann

2017-04-01

Short-term ocean analyses for Sea Surface Temperature SST in the Mediterranean Sea can be improved by a statistical post-processing technique, called super-ensemble. This technique consists in a multi-linear regression algorithm applied to a Multi-Physics Multi-Model Super-Ensemble (MMSE) dataset, a collection of different operational forecasting analyses together with ad-hoc simulations produced by modifying selected numerical model parameterizations. A new linear regression algorithm based on Empirical Orthogonal Function filtering techniques is capable to prevent overfitting problems, even if best performances are achieved when we add correlation to the super-ensemble structure using a simple spatial filter applied after the linear regression. Our outcomes show that super-ensemble performances depend on the selection of an unbiased operator and the length of the learning period, but the quality of the generating MMSE dataset has the largest impact on the MMSE analysis Root Mean Square Error (RMSE) evaluated with respect to observed satellite SST. Lower RMSE analysis estimates result from the following choices: 15 days training period, an overconfident MMSE dataset (a subset with the higher quality ensemble members), and the least square algorithm being filtered a posteriori.

Ensemble-Biased Metadynamics: A Molecular Simulation Method to Sample Experimental Distributions

PubMed Central

Marinelli, Fabrizio; Faraldo-Gómez, José D.

2015-01-01

We introduce an enhanced-sampling method for molecular dynamics (MD) simulations referred to as ensemble-biased metadynamics (EBMetaD). The method biases a conventional MD simulation to sample a molecular ensemble that is consistent with one or more probability distributions known a priori, e.g., experimental intramolecular distance distributions obtained by double electron-electron resonance or other spectroscopic techniques. To this end, EBMetaD adds an adaptive biasing potential throughout the simulation that discourages sampling of configurations inconsistent with the target probability distributions. The bias introduced is the minimum necessary to fulfill the target distributions, i.e., EBMetaD satisfies the maximum-entropy principle. Unlike other methods, EBMetaD does not require multiple simulation replicas or the introduction of Lagrange multipliers, and is therefore computationally efficient and straightforward in practice. We demonstrate the performance and accuracy of the method for a model system as well as for spin-labeled T4 lysozyme in explicit water, and show how EBMetaD reproduces three double electron-electron resonance distance distributions concurrently within a few tens of nanoseconds of simulation time. EBMetaD is integrated in the open-source PLUMED plug-in (www.plumed-code.org), and can be therefore readily used with multiple MD engines. PMID:26083917

Stochastic dynamics and mechanosensitivity of myosin II minifilaments

NASA Astrophysics Data System (ADS)

Albert, Philipp J.; Erdmann, Thorsten; Schwarz, Ulrich S.

2014-09-01

Tissue cells are in a state of permanent mechanical tension that is maintained mainly by myosin II minifilaments, which are bipolar assemblies of tens of myosin II molecular motors contracting actin networks and bundles. Here we introduce a stochastic model for myosin II minifilaments as two small myosin II motor ensembles engaging in a stochastic tug-of-war. Each of the two ensembles is described by the parallel cluster model that allows us to use exact stochastic simulations and at the same time to keep important molecular details of the myosin II cross-bridge cycle. Our simulation and analytical results reveal a strong dependence of myosin II minifilament dynamics on environmental stiffness that is reminiscent of the cellular response to substrate stiffness. For small stiffness, minifilaments form transient crosslinks exerting short spikes of force with negligible mean. For large stiffness, minifilaments form near permanent crosslinks exerting a mean force which hardly depends on environmental elasticity. This functional switch arises because dissociation after the power stroke is suppressed by force (catch bonding) and because ensembles can no longer perform the power stroke at large forces. Symmetric myosin II minifilaments perform a random walk with an effective diffusion constant which decreases with increasing ensemble size, as demonstrated for rigid substrates with an analytical treatment.

How Do Various Maize Crop Models Vary in Their Responses to Climate Change Factors?

NASA Technical Reports Server (NTRS)

Bassu, Simona; Brisson, Nadine; Grassini, Patricio; Durand, Jean-Louis; Boote, Kenneth; Lizaso, Jon; Jones, James W.; Rosenzweig, Cynthia; Ruane, Alex C.; Adam, Myriam;

How do various maize crop models vary in their responses to climate change factors?

PubMed

Bassu, Simona; Brisson, Nadine; Durand, Jean-Louis; Boote, Kenneth; Lizaso, Jon; Jones, James W; Rosenzweig, Cynthia; Ruane, Alex C; Adam, Myriam; Baron, Christian; Basso, Bruno; Biernath, Christian; Boogaard, Hendrik; Conijn, Sjaak; Corbeels, Marc; Deryng, Delphine; De Sanctis, Giacomo; Gayler, Sebastian; Grassini, Patricio; Hatfield, Jerry; Hoek, Steven; Izaurralde, Cesar; Jongschaap, Raymond; Kemanian, Armen R; Kersebaum, K Christian; Kim, Soo-Hyung; Kumar, Naresh S; Makowski, David; Müller, Christoph; Nendel, Claas; Priesack, Eckart; Pravia, Maria Virginia; Sau, Federico; Shcherbak, Iurii; Tao, Fulu; Teixeira, Edmar; Timlin, Dennis; Waha, Katharina

2014-07-01

Potential consequences of climate change on crop production can be studied using mechanistic crop simulation models. While a broad variety of maize simulation models exist, it is not known whether different models diverge on grain yield responses to changes in climatic factors, or whether they agree in their general trends related to phenology, growth, and yield. With the goal of analyzing the sensitivity of simulated yields to changes in temperature and atmospheric carbon dioxide concentrations [CO2 ], we present the largest maize crop model intercomparison to date, including 23 different models. These models were evaluated for four locations representing a wide range of maize production conditions in the world: Lusignan (France), Ames (USA), Rio Verde (Brazil) and Morogoro (Tanzania). While individual models differed considerably in absolute yield simulation at the four sites, an ensemble of a minimum number of models was able to simulate absolute yields accurately at the four sites even with low data for calibration, thus suggesting that using an ensemble of models has merit. Temperature increase had strong negative influence on modeled yield response of roughly -0.5 Mg ha(-1) per °C. Doubling [CO2 ] from 360 to 720 μmol mol(-1) increased grain yield by 7.5% on average across models and the sites. That would therefore make temperature the main factor altering maize yields at the end of this century. Furthermore, there was a large uncertainty in the yield response to [CO2 ] among models. Model responses to temperature and [CO2 ] did not differ whether models were simulated with low calibration information or, simulated with high level of calibration information. © 2014 John Wiley & Sons Ltd.

Avoiding the ensemble decorrelation problem using member-by-member post-processing

NASA Astrophysics Data System (ADS)

Van Schaeybroeck, Bert; Vannitsem, Stéphane

2014-05-01

Forecast calibration or post-processing has become a standard tool in atmospheric and climatological science due to the presence of systematic initial condition and model errors. For ensemble forecasts the most competitive methods derive from the assumption of a fixed ensemble distribution. However, when independently applying such 'statistical' methods at different locations, lead times or for multiple variables the correlation structure for individual ensemble members is destroyed. Instead of reastablishing the correlation structure as in Schefzik et al. (2013) we instead propose a calibration method that avoids such problem by correcting each ensemble member individually. Moreover, we analyse the fundamental mechanisms by which the probabilistic ensemble skill can be enhanced. In terms of continuous ranked probability score, our member-by-member approach amounts to skill gain that extends for lead times far beyond the error doubling time and which is as good as the one of the most competitive statistical approach, non-homogeneous Gaussian regression (Gneiting et al. 2005). Besides the conservation of correlation structure, additional benefits arise including the fact that higher-order ensemble moments like kurtosis and skewness are inherited from the uncorrected forecasts. Our detailed analysis is performed in the context of the Kuramoto-Sivashinsky equation and different simple models but the results extent succesfully to the ensemble forecast of the European Centre for Medium-Range Weather Forecasts (Van Schaeybroeck and Vannitsem, 2013, 2014) . References [1] Gneiting, T., Raftery, A. E., Westveld, A., Goldman, T., 2005: Calibrated probabilistic forecasting using ensemble model output statistics and minimum CRPS estimation. Mon. Weather Rev. 133, 1098-1118. [2] Schefzik, R., T.L. Thorarinsdottir, and T. Gneiting, 2013: Uncertainty Quantification in Complex Simulation Models Using Ensemble Copula Coupling. To appear in Statistical Science 28. [3] Van Schaeybroeck, B., and S. Vannitsem, 2013: Reliable probabilities through statistical post-processing of ensemble forecasts. Proceedings of the European Conference on Complex Systems 2012, Springer proceedings on complexity, XVI, p. 347-352. [4] Van Schaeybroeck, B., and S. Vannitsem, 2014: Ensemble post-processing using member-by-member approaches: theoretical aspects, under review.

Using palaeoclimate data to improve models of the Antarctic Ice Sheet

NASA Astrophysics Data System (ADS)

Phipps, Steven; King, Matt; Roberts, Jason; White, Duanne

2017-04-01

Ice sheet models are the most descriptive tools available to simulate the future evolution of the Antarctic Ice Sheet (AIS), including its contribution towards changes in global sea level. However, our knowledge of the dynamics of the coupled ice-ocean-lithosphere system is inevitably limited, in part due to a lack of observations. Furthemore, to build computationally efficient models that can be run for multiple millennia, it is necessary to use simplified descriptions of ice dynamics. Ice sheet modelling is therefore an inherently uncertain exercise. The past evolution of the AIS provides an opportunity to constrain the description of physical processes within ice sheet models and, therefore, to constrain our understanding of the role of the AIS in driving changes in global sea level. We use the Parallel Ice Sheet Model (PISM) to demonstrate how palaeoclimate data can improve our ability to predict the future evolution of the AIS. A 50-member perturbed-physics ensemble is generated, spanning uncertainty in the parameterisations of three key physical processes within the model: (i) the stress balance within the ice sheet, (ii) basal sliding and (iii) calving of ice shelves. A Latin hypercube approach is used to optimally sample the range of uncertainty in parameter values. This perturbed-physics ensemble is used to simulate the evolution of the AIS from the Last Glacial Maximum ( 21,000 years ago) to present. Palaeoclimate records are then used to determine which ensemble members are the most realistic. This allows us to use data on past climates to directly constrain our understanding of the past contribution of the AIS towards changes in global sea level. Critically, it also allows us to determine which ensemble members are likely to generate the most realistic projections of the future evolution of the AIS.

Using paleoclimate data to improve models of the Antarctic Ice Sheet

NASA Astrophysics Data System (ADS)

King, M. A.; Phipps, S. J.; Roberts, J. L.; White, D.

2016-12-01

Ice sheet models are the most descriptive tools available to simulate the future evolution of the Antarctic Ice Sheet (AIS), including its contribution towards changes in global sea level. However, our knowledge of the dynamics of the coupled ice-ocean-lithosphere system is inevitably limited, in part due to a lack of observations. Furthemore, to build computationally efficient models that can be run for multiple millennia, it is necessary to use simplified descriptions of ice dynamics. Ice sheet modeling is therefore an inherently uncertain exercise. The past evolution of the AIS provides an opportunity to constrain the description of physical processes within ice sheet models and, therefore, to constrain our understanding of the role of the AIS in driving changes in global sea level. We use the Parallel Ice Sheet Model (PISM) to demonstrate how paleoclimate data can improve our ability to predict the future evolution of the AIS. A large, perturbed-physics ensemble is generated, spanning uncertainty in the parameterizations of four key physical processes within ice sheet models: ice rheology, ice shelf calving, and the stress balances within ice sheets and ice shelves. A Latin hypercube approach is used to optimally sample the range of uncertainty in parameter values. This perturbed-physics ensemble is used to simulate the evolution of the AIS from the Last Glacial Maximum ( 21,000 years ago) to present. Paleoclimate records are then used to determine which ensemble members are the most realistic. This allows us to use data on past climates to directly constrain our understanding of the past contribution of the AIS towards changes in global sea level. Critically, it also allows us to determine which ensemble members are likely to generate the most realistic projections of the future evolution of the AIS.

Rate-equation modelling and ensemble approach to extraction of parameters for viral infection-induced cell apoptosis and necrosis

NASA Astrophysics Data System (ADS)

Domanskyi, Sergii; Schilling, Joshua E.; Gorshkov, Vyacheslav; Libert, Sergiy; Privman, Vladimir

2016-09-01

We develop a theoretical approach that uses physiochemical kinetics modelling to describe cell population dynamics upon progression of viral infection in cell culture, which results in cell apoptosis (programmed cell death) and necrosis (direct cell death). Several model parameters necessary for computer simulation were determined by reviewing and analyzing available published experimental data. By comparing experimental data to computer modelling results, we identify the parameters that are the most sensitive to the measured system properties and allow for the best data fitting. Our model allows extraction of parameters from experimental data and also has predictive power. Using the model we describe interesting time-dependent quantities that were not directly measured in the experiment and identify correlations among the fitted parameter values. Numerical simulation of viral infection progression is done by a rate-equation approach resulting in a system of "stiff" equations, which are solved by using a novel variant of the stochastic ensemble modelling approach. The latter was originally developed for coupled chemical reactions.

Rate-equation modelling and ensemble approach to extraction of parameters for viral infection-induced cell apoptosis and necrosis

NASA Astrophysics Data System (ADS)

Domanskyi, Sergii; Schilling, Joshua; Gorshkov, Vyacheslav; Libert, Sergiy; Privman, Vladimir

We develop a theoretical approach that uses physiochemical kinetics modelling to describe cell population dynamics upon progression of viral infection in cell culture, which results in cell apoptosis (programmed cell death) and necrosis (direct cell death). Several model parameters necessary for computer simulation were determined by reviewing and analyzing available published experimental data. By comparing experimental data to computer modelling results, we identify the parameters that are the most sensitive to the measured system properties and allow for the best data fitting. Our model allows extraction of parameters from experimental data and also has predictive power. Using the model we describe interesting time-dependent quantities that were not directly measured in the experiment and identify correlations among the fitted parameter values. Numerical simulation of viral infection progression is done by a rate-equation approach resulting in a system of ``stiff'' equations, which are solved by using a novel variant of the stochastic ensemble modelling approach. The latter was originally developed for coupled chemical reactions.

Importance of ensembles in projecting regional climate trends

NASA Astrophysics Data System (ADS)

Arritt, Raymond; Daniel, Ariele; Groisman, Pavel

2016-04-01

We have performed an ensemble of simulations using RegCM4 to examine the ability to reproduce observed trends in precipitation intensity and to project future changes through the 21st century for the central United States. We created a matrix of simulations over the CORDEX North America domain for 1950-2099 by driving the regional model with two different global models (HadGEM2-ES and GFDL-ESM2M, both for RCP8.5), by performing simulations at both 50 km and 25 km grid spacing, and by using three different convective parameterizations. The result is a set of 12 simulations (two GCMs by two resolutions by three convective parameterizations) that can be used to systematically evaluate the influence of simulation design on predicted precipitation. The two global models were selected to bracket the range of climate sensitivity in the CMIP5 models: HadGEM2-ES has the highest ECS of the CMIP5 models, while GFDL-ESM2M has one of the lowestt. Our evaluation metrics differ from many other RCM studies in that we focus on the skill of the models in reproducing past trends rather than the mean climate state. Trends in frequency of extreme precipitation (defined as amounts exceeding 76.2 mm/day) for most simulations are similar to the observed trend but with notable variations depending on RegCM4 configuration and on the driving GCM. There are complex interactions among resolution, choice of convective parameterization, and the driving GCM that carry over into the future climate projections. We also note that biases in the current climate do not correspond to biases in trends. As an example of these points the Emanuel scheme is consistently "wet" (positive bias in precipitation) yet it produced the smallest precipitation increase of the three convective parameterizations when used in simulations driven by HadGEM2-ES. However, it produced the largest increase when driven by GFDL-ESM2M. These findings reiterate that ensembles using multiple RCM configurations and driving GCMs are essential for projecting regional climate change, even when a single RCM is used. This research was sponsored by the U.S. Department of Agriculture National Institute of Food and Agriculture.

Comprehensive evaluation of Ensemble Multi-Satellite Precipitation Dataset using the Dynamic Bayesian Model Averaging scheme over the Tibetan plateau

NASA Astrophysics Data System (ADS)

Ma, Yingzhao; Yang, Yuan; Han, Zhongying; Tang, Guoqiang; Maguire, Lane; Chu, Zhigang; Hong, Yang

2018-01-01

The objective of this study is to comprehensively evaluate the new Ensemble Multi-Satellite Precipitation Dataset using the Dynamic Bayesian Model Averaging scheme (EMSPD-DBMA) at daily and 0.25° scales from 2001 to 2015 over the Tibetan Plateau (TP). Error analysis against gauge observations revealed that EMSPD-DBMA captured the spatiotemporal pattern of daily precipitation with an acceptable Correlation Coefficient (CC) of 0.53 and a Relative Bias (RB) of -8.28%. Moreover, EMSPD-DBMA outperformed IMERG and GSMaP-MVK in almost all metrics in the summers of 2014 and 2015, with the lowest RB and Root Mean Square Error (RMSE) values of -2.88% and 8.01 mm/d, respectively. It also better reproduced the Probability Density Function (PDF) in terms of daily rainfall amount and estimated moderate and heavy rainfall better than both IMERG and GSMaP-MVK. Further, hydrological evaluation with the Coupled Routing and Excess STorage (CREST) model in the Upper Yangtze River region indicated that the EMSPD-DBMA forced simulation showed satisfying hydrological performance in terms of streamflow prediction, with Nash-Sutcliffe coefficient of Efficiency (NSE) values of 0.82 and 0.58, compared to gauge forced simulation (0.88 and 0.60) at the calibration and validation periods, respectively. EMSPD-DBMA also performed a greater fitness for peak flow simulation than a new Multi-Source Weighted-Ensemble Precipitation Version 2 (MSWEP V2) product, indicating a promising prospect of hydrological utility for the ensemble satellite precipitation data. This study belongs to early comprehensive evaluation of the blended multi-satellite precipitation data across the TP, which would be significant for improving the DBMA algorithm in regions with complex terrain.

Converging free energies of binding in cucurbit[7]uril and octa-acid host-guest systems from SAMPL4 using expanded ensemble simulations

NASA Astrophysics Data System (ADS)

Monroe, Jacob I.; Shirts, Michael R.

2014-04-01

Molecular containers such as cucurbit[7]uril (CB7) and the octa-acid (OA) host are ideal simplified model test systems for optimizing and analyzing methods for computing free energies of binding intended for use with biologically relevant protein-ligand complexes. To this end, we have performed initially blind free energy calculations to determine the free energies of binding for ligands of both the CB7 and OA hosts. A subset of the selected guest molecules were those included in the SAMPL4 prediction challenge. Using expanded ensemble simulations in the dimension of coupling host-guest intermolecular interactions, we are able to show that our estimates in most cases can be demonstrated to fully converge and that the errors in our estimates are due almost entirely to the assigned force field parameters and the choice of environmental conditions used to model experiment. We confirm the convergence through the use of alternative simulation methodologies and thermodynamic pathways, analyzing sampled conformations, and directly observing changes of the free energy with respect to simulation time. Our results demonstrate the benefits of enhanced sampling of multiple local free energy minima made possible by the use of expanded ensemble molecular dynamics and may indicate the presence of significant problems with current transferable force fields for organic molecules when used for calculating binding affinities, especially in non-protein chemistries.

Converging free energies of binding in cucurbit[7]uril and octa-acid host-guest systems from SAMPL4 using expanded ensemble simulations.

PubMed

Monroe, Jacob I; Shirts, Michael R

2014-04-01

Molecular containers such as cucurbit[7]uril (CB7) and the octa-acid (OA) host are ideal simplified model test systems for optimizing and analyzing methods for computing free energies of binding intended for use with biologically relevant protein-ligand complexes. To this end, we have performed initially blind free energy calculations to determine the free energies of binding for ligands of both the CB7 and OA hosts. A subset of the selected guest molecules were those included in the SAMPL4 prediction challenge. Using expanded ensemble simulations in the dimension of coupling host-guest intermolecular interactions, we are able to show that our estimates in most cases can be demonstrated to fully converge and that the errors in our estimates are due almost entirely to the assigned force field parameters and the choice of environmental conditions used to model experiment. We confirm the convergence through the use of alternative simulation methodologies and thermodynamic pathways, analyzing sampled conformations, and directly observing changes of the free energy with respect to simulation time. Our results demonstrate the benefits of enhanced sampling of multiple local free energy minima made possible by the use of expanded ensemble molecular dynamics and may indicate the presence of significant problems with current transferable force fields for organic molecules when used for calculating binding affinities, especially in non-protein chemistries.

Feasibility study for a numerical aerodynamic simulation facility. Volume 1

NASA Technical Reports Server (NTRS)

Lincoln, N. R.; Bergman, R. O.; Bonstrom, D. B.; Brinkman, T. W.; Chiu, S. H. J.; Green, S. S.; Hansen, S. D.; Klein, D. L.; Krohn, H. E.; Prow, R. P.

1979-01-01

A Numerical Aerodynamic Simulation Facility (NASF) was designed for the simulation of fluid flow around three-dimensional bodies, both in wind tunnel environments and in free space. The application of numerical simulation to this field of endeavor promised to yield economies in aerodynamic and aircraft body designs. A model for a NASF/FMP (Flow Model Processor) ensemble using a possible approach to meeting NASF goals is presented. The computer hardware and software are presented, along with the entire design and performance analysis and evaluation.

From a structural average to the conformational ensemble of a DNA bulge

PubMed Central

Shi, Xuesong; Beauchamp, Kyle A.; Harbury, Pehr B.; Herschlag, Daniel

2014-01-01

Direct experimental measurements of conformational ensembles are critical for understanding macromolecular function, but traditional biophysical methods do not directly report the solution ensemble of a macromolecule. Small-angle X-ray scattering interferometry has the potential to overcome this limitation by providing the instantaneous distance distribution between pairs of gold-nanocrystal probes conjugated to a macromolecule in solution. Our X-ray interferometry experiments reveal an increasing bend angle of DNA duplexes with bulges of one, three, and five adenosine residues, consistent with previous FRET measurements, and further reveal an increasingly broad conformational ensemble with increasing bulge length. The distance distributions for the AAA bulge duplex (3A-DNA) with six different Au-Au pairs provide strong evidence against a simple elastic model in which fluctuations occur about a single conformational state. Instead, the measured distance distributions suggest a 3A-DNA ensemble with multiple conformational states predominantly across a region of conformational space with bend angles between 24 and 85 degrees and characteristic bend directions and helical twists and displacements. Additional X-ray interferometry experiments revealed perturbations to the ensemble from changes in ionic conditions and the bulge sequence, effects that can be understood in terms of electrostatic and stacking contributions to the ensemble and that demonstrate the sensitivity of X-ray interferometry. Combining X-ray interferometry ensemble data with molecular dynamics simulations gave atomic-level models of representative conformational states and of the molecular interactions that may shape the ensemble, and fluorescence measurements with 2-aminopurine-substituted 3A-DNA provided initial tests of these atomistic models. More generally, X-ray interferometry will provide powerful benchmarks for testing and developing computational methods. PMID:24706812

MODELLING SEDIMENT TRANSPORT FOR THE LAKE MICHIGAN MASS BALANCE PROJECT

EPA Science Inventory

A sediment transport model is one component of the overall ensemble of models being developed for the Lake Michigan Mass Balance. The SEDZL model is being applied to simulate the fine-grained sediment transport in Lake Michigan for the 1982-1983 and 1994-1995 periods. Model perf...

SIMULATION OF THE ICELAND VOLCANIC ERUPTION OF APRIL 2010 USING THE ENSEMBLE SYSTEM

DOE Office of Scientific and Technical Information (OSTI.GOV)

Buckley, R.

2011-05-10

The Eyjafjallajokull volcanic eruption in Iceland in April 2010 disrupted transportation in Europe which ultimately affected travel plans for many on a global basis. The Volcanic Ash Advisory Centre (VAAC) is responsible for providing guidance to the aviation industry of the transport of volcanic ash clouds. There are nine such centers located globally, and the London branch (headed by the United Kingdom Meteorological Office, or UKMet) was responsible for modeling the Iceland volcano. The guidance provided by the VAAC created some controversy due to the burdensome travel restrictions and uncertainty involved in the prediction of ash transport. The Iceland volcanicmore » eruption provides a useful exercise of the European ENSEMBLE program, coordinated by the Joint Research Centre (JRC) in Ispra, Italy. ENSEMBLE, a decision support system for emergency response, uses transport model results from a variety of countries in an effort to better understand the uncertainty involved with a given accident scenario. Model results in the form of airborne concentration and surface deposition are required from each member of the ensemble in a prescribed format that may then be uploaded to a website for manipulation. The Savannah River National Laboratory (SRNL) is the lone regular United States participant throughout the 10-year existence of ENSEMBLE. For the Iceland volcano, four separate source term estimates have been provided to ENSEMBLE participants. This paper focuses only on one of those source terms. The SRNL results in relation to other modeling agency results along with useful information obtained using an ensemble of transport results will be discussed.« less

Calibration of a Land Subsidence Model Using InSAR Data via the Ensemble Kalman Filter.

PubMed

Li, Liangping; Zhang, Meijing; Katzenstein, Kurt

2017-11-01

The application of interferometric synthetic aperture radar (InSAR) has been increasingly used to improve capabilities to model land subsidence in hydrogeologic studies. A number of investigations over the last decade show how spatially detailed time-lapse images of ground displacements could be utilized to advance our understanding for better predictions. In this work, we use simulated land subsidences as observed measurements, mimicking InSAR data to inversely infer inelastic specific storage in a stochastic framework. The inelastic specific storage is assumed as a random variable and modeled using a geostatistical method such that the detailed variations in space could be represented and also that the uncertainties of both characterization of specific storage and prediction of land subsidence can be assessed. The ensemble Kalman filter (EnKF), a real-time data assimilation algorithm, is used to inversely calibrate a land subsidence model by matching simulated subsidences with InSAR data. The performance of the EnKF is demonstrated in a synthetic example in which simulated surface deformations using a reference field are assumed as InSAR data for inverse modeling. The results indicate: (1) the EnKF can be used successfully to calibrate a land subsidence model with InSAR data; the estimation of inelastic specific storage is improved, and uncertainty of prediction is reduced, when all the data are accounted for; and (2) if the same ensemble is used to estimate Kalman gain, the analysis errors could cause filter divergence; thus, it is essential to include localization in the EnKF for InSAR data assimilation. © 2017, National Ground Water Association.

Creating Weather System Ensembles Through Synergistic Process Modeling and Machine Learning

NASA Astrophysics Data System (ADS)

Chen, B.; Posselt, D. J.; Nguyen, H.; Wu, L.; Su, H.; Braverman, A. J.

2017-12-01

Earth's weather and climate are sensitive to a variety of control factors (e.g., initial state, forcing functions, etc). Characterizing the response of the atmosphere to a change in initial conditions or model forcing is critical for weather forecasting (ensemble prediction) and climate change assessment. Input - response relationships can be quantified by generating an ensemble of multiple (100s to 1000s) realistic realizations of weather and climate states. Atmospheric numerical models generate simulated data through discretized numerical approximation of the partial differential equations (PDEs) governing the underlying physics. However, the computational expense of running high resolution atmospheric state models makes generation of more than a few simulations infeasible. Here, we discuss an experiment wherein we approximate the numerical PDE solver within the Weather Research and Forecasting (WRF) Model using neural networks trained on a subset of model run outputs. Once trained, these neural nets can produce large number of realization of weather states from a small number of deterministic simulations with speeds that are orders of magnitude faster than the underlying PDE solver. Our neural network architecture is inspired by the governing partial differential equations. These equations are location-invariant, and consist of first and second derivations. As such, we use a 3x3 lon-lat grid of atmospheric profiles as the predictor in the neural net to provide the network the information necessary to compute the first and second moments. Results indicate that the neural network algorithm can approximate the PDE outputs with high degree of accuracy (less than 1% error), and that this error increases as a function of the prediction time lag.

State updating of a distributed hydrological model with Ensemble Kalman Filtering: Effects of updating frequency and observation network density on forecast accuracy

NASA Astrophysics Data System (ADS)

Rakovec, O.; Weerts, A.; Hazenberg, P.; Torfs, P.; Uijlenhoet, R.

2012-12-01

This paper presents a study on the optimal setup for discharge assimilation within a spatially distributed hydrological model (Rakovec et al., 2012a). The Ensemble Kalman filter (EnKF) is employed to update the grid-based distributed states of such an hourly spatially distributed version of the HBV-96 model. By using a physically based model for the routing, the time delay and attenuation are modelled more realistically. The discharge and states at a given time step are assumed to be dependent on the previous time step only (Markov property). Synthetic and real world experiments are carried out for the Upper Ourthe (1600 km2), a relatively quickly responding catchment in the Belgian Ardennes. The uncertain precipitation model forcings were obtained using a time-dependent multivariate spatial conditional simulation method (Rakovec et al., 2012b), which is further made conditional on preceding simulations. We assess the impact on the forecasted discharge of (1) various sets of the spatially distributed discharge gauges and (2) the filtering frequency. The results show that the hydrological forecast at the catchment outlet is improved by assimilating interior gauges. This augmentation of the observation vector improves the forecast more than increasing the updating frequency. In terms of the model states, the EnKF procedure is found to mainly change the pdfs of the two routing model storages, even when the uncertainty in the discharge simulations is smaller than the defined observation uncertainty. Rakovec, O., Weerts, A. H., Hazenberg, P., Torfs, P. J. J. F., and Uijlenhoet, R.: State updating of a distributed hydrological model with Ensemble Kalman Filtering: effects of updating frequency and observation network density on forecast accuracy, Hydrol. Earth Syst. Sci. Discuss., 9, 3961-3999, doi:10.5194/hessd-9-3961-2012, 2012a. Rakovec, O., Hazenberg, P., Torfs, P. J. J. F., Weerts, A. H., and Uijlenhoet, R.: Generating spatial precipitation ensembles: impact of temporal correlation structure, Hydrol. Earth Syst. Sci. Discuss., 9, 3087-3127, doi:10.5194/hessd-9-3087-2012, 2012b.

Statistical analysis of large simulated yield datasets for studying climate effects

USDA-ARS?s Scientific Manuscript database

Ensembles of process-based crop models are now commonly used to simulate crop growth and development for climate scenarios of temperature and/or precipitation changes corresponding to different projections of atmospheric CO2 concentrations. This approach generates large datasets with thousands of de...

Impacts of weighting climate models for hydro-meteorological climate change studies

NASA Astrophysics Data System (ADS)

Chen, Jie; Brissette, François P.; Lucas-Picher, Philippe; Caya, Daniel

2017-06-01

Weighting climate models is controversial in climate change impact studies using an ensemble of climate simulations from different climate models. In climate science, there is a general consensus that all climate models should be considered as having equal performance or in other words that all projections are equiprobable. On the other hand, in the impacts and adaptation community, many believe that climate models should be weighted based on their ability to better represent various metrics over a reference period. The debate appears to be partly philosophical in nature as few studies have investigated the impact of using weights in projecting future climate changes. The present study focuses on the impact of assigning weights to climate models for hydrological climate change studies. Five methods are used to determine weights on an ensemble of 28 global climate models (GCMs) adapted from the Coupled Model Intercomparison Project Phase 5 (CMIP5) database. Using a hydrological model, streamflows are computed over a reference (1961-1990) and future (2061-2090) periods, with and without post-processing climate model outputs. The impacts of using different weighting schemes for GCM simulations are then analyzed in terms of ensemble mean and uncertainty. The results show that weighting GCMs has a limited impact on both projected future climate in term of precipitation and temperature changes and hydrology in terms of nine different streamflow criteria. These results apply to both raw and post-processed GCM model outputs, thus supporting the view that climate models should be considered equiprobable.

Climateprediction.com: Public Involvement, Multi-Million Member Ensembles and Systematic Uncertainty Analysis

NASA Astrophysics Data System (ADS)

Stainforth, D. A.; Allen, M.; Kettleborough, J.; Collins, M.; Heaps, A.; Stott, P.; Wehner, M.

2001-12-01

The climateprediction.com project is preparing to carry out the first systematic uncertainty analysis of climate forecasts using large ensembles of GCM climate simulations. This will be done by involving schools, businesses and members of the public, and utilizing the novel technology of distributed computing. Each participant will be asked to run one member of the ensemble on their PC. The model used will initially be the UK Met Office's Unified Model (UM). It will be run under Windows and software will be provided to enable those involved to view their model output as it develops. The project will use this method to carry out large perturbed physics GCM ensembles and thereby analyse the uncertainty in the forecasts from such models. Each participant/ensemble member will therefore have a version of the UM in which certain aspects of the model physics have been perturbed from their default values. Of course the non-linear nature of the system means that it will be necessary to look not just at perturbations to individual parameters in specific schemes, such as the cloud parameterization, but also to the many combinations of perturbations. This rapidly leads to the need for very large, perhaps multi-million member ensembles, which could only be undertaken using the distributed computing methodology. The status of the project will be presented and the Windows client will be demonstrated. In addition, initial results will be presented from beta test runs using a demo release for Linux PCs and Alpha workstations. Although small by comparison to the whole project, these pilot results constitute a 20-50 member perturbed physics climate ensemble with results indicating how climate sensitivity can be substantially affected by individual parameter values in the cloud scheme.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shi, Jade; Nobrega, R. Paul; Schwantes, Christian

The dynamics of globular proteins can be described in terms of transitions between a folded native state and less-populated intermediates, or excited states, which can play critical roles in both protein folding and function. Excited states are by definition transient species, and therefore are difficult to characterize using current experimental techniques. We report an atomistic model of the excited state ensemble of a stabilized mutant of an extensively studied flavodoxin fold protein CheY. We employed a hybrid simulation and experimental approach in which an aggregate 42 milliseconds of all-atom molecular dynamics were used as an informative prior for the structuremore » of the excited state ensemble. The resulting prior was then refined against small-angle X-ray scattering (SAXS) data employing an established method (EROS). The most striking feature of the resulting excited state ensemble was an unstructured N-terminus stabilized by non-native contacts in a conformation that is topologically simpler than the native state. We then predict incisive single molecule FRET experiments, using these results, as a means of model validation. Our study demonstrates the paradigm of uniting simulation and experiment in a statistical model to study the structure of protein excited states and rationally design validating experiments.« less

Microsecond simulations of the folding/unfolding thermodynamics of the Trp-cage mini protein

PubMed Central

Day, Ryan; Paschek, Dietmar; Garcia, Angel E.

2012-01-01

We study the unbiased folding/unfolding thermodynamics of the Trp-cage miniprotein using detailed molecular dynamics simulations of an all-atom model of the protein in explicit solvent, using the Amberff99SB force field. Replica-exchange molecular dynamics (REMD) simulations are used to sample the protein ensembles over a broad range of temperatures covering the folded and unfolded states, and at two densities. The obtained ensembles are shown to reach equilibrium in the 1 μs per replica timescale. The total simulation time employed in the calculations exceeds 100 μs. Ensemble averages of the fraction folded, pressure, and energy differences between the folded and unfolded states as a function of temperature are used to model the free energy of the folding transition, ΔG(P,T), over the whole region of temperature and pressures sampled in the simulations. The ΔG(P,T) diagram describes an ellipse over the range of temperatures and pressures sampled, predicting that the system can undergo pressure induced unfolding and cold denaturation at low temperatures and high pressures, and unfolding at low pressures and high temperatures. The calculated free energy function exhibits remarkably good agreement with the experimental folding transition temperature (Tf = 321 K), free energy and specific heat changes. However, changes in enthalpy and entropy are significantly different than the experimental values. We speculate that these differences may be due to the simplicity of the semi-empirical force field used in the simulations and that more elaborate force fields may be required to describe appropriately the thermodynamics of proteins. PMID:20408169

Studying Turbulence Using Numerical Simulation Databases. Part 6; Proceedings of the 1996 Summer Program

NASA Technical Reports Server (NTRS)

1996-01-01

Topics considered include: New approach to turbulence modeling; Second moment closure analysis of the backstep flow database; Prediction of the backflow and recovery regions in the backward facing step at various Reynolds numbers; Turbulent flame propagation in partially premixed flames; Ensemble averaged dynamic modeling. Also included a study of the turbulence structures of wall-bounded shear flows; Simulation and modeling of the elliptic streamline flow.

The WASCAL high-resolution climate projection ensemble for West Africa

NASA Astrophysics Data System (ADS)

Kunstmann, Harald; Heinzeller, Dominikus; Dieng, Diarra; Smiatek, Gerhard; Bliefernicht, Jan; Hamann, Ilse; Salack, Seyni

2017-04-01

With climate change being one of the most severe challenges to rural Africa in the 21st century, West Africa is facing an urgent need to develop effective adaptation and mitigation measures to protect its constantly growing population. We perform ensemble-based regional climate simulations at a high resolution of 12km for West Africa to allow a scientifically sound derivation of climate change adaptation measures. Based on the RCP4.5 scenario, our ensemble consist of three simulation experiments with the Weather Research & Forecasting Tool (WRF) and one additional experiment with the Consortium for Small-scale Modelling Model COSMO in Climate Mode (COSMO-CLM). We discuss the model performance over the validation period 1980-2010, including a novel, station-based precipitation database for West Africa obtained within the WASCAL (West African Science Service Centre for Climate Change and Adapted Land Use) program. Particular attention is paid to the representation of the dynamics of the West African Summer Monsoon and to the added value of our high-resolution models over existing data sets. We further present results on the climate change signal obtained for the two future periods 2020-2050 and 2070-2100 and compare them to current state-of-the-art projections from the CORDEX-Africa project. While the temperature change signal is similar to that obtained within CORDEX-Africa, our simulations predict a wetter future for the Coast of Guinea and the southern Soudano area and a slight drying in the northernmost part of the Sahel.

Laser transit anemometer software development program

NASA Technical Reports Server (NTRS)

Abbiss, John B.

1989-01-01

Algorithms were developed for the extraction of two components of mean velocity, standard deviation, and the associated correlation coefficient from laser transit anemometry (LTA) data ensembles. The solution method is based on an assumed two-dimensional Gaussian probability density function (PDF) model of the flow field under investigation. The procedure consists of transforming the data ensembles from the data acquisition domain (consisting of time and angle information) to the velocity space domain (consisting of velocity component information). The mean velocity results are obtained from the data ensemble centroid. Through a least squares fitting of the transformed data to an ellipse representing the intersection of a plane with the PDF, the standard deviations and correlation coefficient are obtained. A data set simulation method is presented to test the data reduction process. Results of using the simulation system with a limited test matrix of input values is also given.

A multi-scale ensemble-based framework for forecasting compound coastal-riverine flooding: The Hackensack-Passaic watershed and Newark Bay

NASA Astrophysics Data System (ADS)

Saleh, F.; Ramaswamy, V.; Wang, Y.; Georgas, N.; Blumberg, A.; Pullen, J.

2017-12-01

Estuarine regions can experience compound impacts from coastal storm surge and riverine flooding. The challenges in forecasting flooding in such areas are multi-faceted due to uncertainties associated with meteorological drivers and interactions between hydrological and coastal processes. The objective of this work is to evaluate how uncertainties from meteorological predictions propagate through an ensemble-based flood prediction framework and translate into uncertainties in simulated inundation extents. A multi-scale framework, consisting of hydrologic, coastal and hydrodynamic models, was used to simulate two extreme flood events at the confluence of the Passaic and Hackensack rivers and Newark Bay. The events were Hurricane Irene (2011), a combination of inland flooding and coastal storm surge, and Hurricane Sandy (2012) where coastal storm surge was the dominant component. The hydrodynamic component of the framework was first forced with measured streamflow and ocean water level data to establish baseline inundation extents with the best available forcing data. The coastal and hydrologic models were then forced with meteorological predictions from 21 ensemble members of the Global Ensemble Forecast System (GEFS) to retrospectively represent potential future conditions up to 96 hours prior to the events. Inundation extents produced by the hydrodynamic model, forced with the 95th percentile of the ensemble-based coastal and hydrologic boundary conditions, were in good agreement with baseline conditions for both events. The USGS reanalysis of Hurricane Sandy inundation extents was encapsulated between the 50th and 95th percentile of the forecasted inundation extents, and that of Hurricane Irene was similar but with caveats associated with data availability and reliability. This work highlights the importance of accounting for meteorological uncertainty to represent a range of possible future inundation extents at high resolution (∼m).

Emulation for probabilistic weather forecasting

NASA Astrophysics Data System (ADS)

Cornford, Dan; Barillec, Remi

2010-05-01

Numerical weather prediction models are typically very expensive to run due to their complexity and resolution. Characterising the sensitivity of the model to its initial condition and/or to its parameters requires numerous runs of the model, which is impractical for all but the simplest models. To produce probabilistic forecasts requires knowledge of the distribution of the model outputs, given the distribution over the inputs, where the inputs include the initial conditions, boundary conditions and model parameters. Such uncertainty analysis for complex weather prediction models seems a long way off, given current computing power, with ensembles providing only a partial answer. One possible way forward that we develop in this work is the use of statistical emulators. Emulators provide an efficient statistical approximation to the model (or simulator) while quantifying the uncertainty introduced. In the emulator framework, a Gaussian process is fitted to the simulator response as a function of the simulator inputs using some training data. The emulator is essentially an interpolator of the simulator output and the response in unobserved areas is dictated by the choice of covariance structure and parameters in the Gaussian process. Suitable parameters are inferred from the data in a maximum likelihood, or Bayesian framework. Once trained, the emulator allows operations such as sensitivity analysis or uncertainty analysis to be performed at a much lower computational cost. The efficiency of emulators can be further improved by exploiting the redundancy in the simulator output through appropriate dimension reduction techniques. We demonstrate this using both Principal Component Analysis on the model output and a new reduced-rank emulator in which an optimal linear projection operator is estimated jointly with other parameters, in the context of simple low order models, such as the Lorenz 40D system. We present the application of emulators to probabilistic weather forecasting, where the construction of the emulator training set replaces the traditional ensemble model runs. Thus the actual forecast distributions are computed using the emulator conditioned on the ‘ensemble runs' which are chosen to explore the plausible input space using relatively crude experimental design methods. One benefit here is that the ensemble does not need to be a sample from the true distribution of the input space, rather it should cover that input space in some sense. The probabilistic forecasts are computed using Monte Carlo methods sampling from the input distribution and using the emulator to produce the output distribution. Finally we discuss the limitations of this approach and briefly mention how we might use similar methods to learn the model error within a framework that incorporates a data assimilation like aspect, using emulators and learning complex model error representations. We suggest future directions for research in the area that will be necessary to apply the method to more realistic numerical weather prediction models.

Sensitivity of modeled estuarine circulation to spatial and temporal resolution of input meteorological forcing of a cold frontal passage

NASA Astrophysics Data System (ADS)

Weaver, Robert J.; Taeb, Peyman; Lazarus, Steven; Splitt, Michael; Holman, Bryan P.; Colvin, Jeffrey

2016-12-01

In this study, a four member ensemble of meteorological forcing is generated using the Weather Research and Forecasting (WRF) model in order to simulate a frontal passage event that impacted the Indian River Lagoon (IRL) during March 2015. The WRF model is run to provide high and low, spatial (0.005° and 0.1°) and temporal (30 min and 6 h) input wind and pressure fields. The four member ensemble is used to force the Advanced Circulation model (ADCIRC) coupled with Simulating Waves Nearshore (SWAN) and compute the hydrodynamic and wave response. Results indicate that increasing the spatial resolution of the meteorological forcing has a greater impact on the results than increasing the temporal resolution in coastal systems like the IRL where the length scales are smaller than the resolution of the operational meteorological model being used to generate the forecast. Changes in predicted water elevations are due in part to the upwind and downwind behavior of the input wind forcing. The significant wave height is more sensitive to the meteorological forcing, exhibited by greater ensemble spread throughout the simulation. It is important that the land mask, seen by the meteorological model, is representative of the geography of the coastal estuary as resolved by the hydrodynamic model. As long as the temporal resolution of the wind field captures the bulk characteristics of the frontal passage, computational resources should be focused so as to ensure that the meteorological model resolves the spatial complexities, such as the land-water interface, that drive the land use responsible for dynamic downscaling of the winds.

Analysis of the hydrological response of a distributed physically-based model using post-assimilation (EnKF) diagnostics of streamflow and in situ soil moisture observations

NASA Astrophysics Data System (ADS)

Trudel, Mélanie; Leconte, Robert; Paniconi, Claudio

2014-06-01

Data assimilation techniques not only enhance model simulations and forecast, they also provide the opportunity to obtain a diagnostic of both the model and observations used in the assimilation process. In this research, an ensemble Kalman filter was used to assimilate streamflow observations at a basin outlet and at interior locations, as well as soil moisture at two different depths (15 and 45 cm). The simulation model is the distributed physically-based hydrological model CATHY (CATchment HYdrology) and the study site is the Des Anglais watershed, a 690 km2 river basin located in southern Quebec, Canada. Use of Latin hypercube sampling instead of a conventional Monte Carlo method to generate the ensemble reduced the size of the ensemble, and therefore the calculation time. Different post-assimilation diagnostics, based on innovations (observation minus background), analysis residuals (observation minus analysis), and analysis increments (analysis minus background), were used to evaluate assimilation optimality. An important issue in data assimilation is the estimation of error covariance matrices. These diagnostics were also used in a calibration exercise to determine the standard deviation of model parameters, forcing data, and observations that led to optimal assimilations. The analysis of innovations showed a lag between the model forecast and the observation during rainfall events. Assimilation of streamflow observations corrected this discrepancy. Assimilation of outlet streamflow observations improved the Nash-Sutcliffe efficiencies (NSE) between the model forecast (one day) and the observation at both outlet and interior point locations, owing to the structure of the state vector used. However, assimilation of streamflow observations systematically increased the simulated soil moisture values.

Assessment of Folsom Lake Watershed response to historical and potential future climate scenarios

USGS Publications Warehouse

Carpenter, Theresa M.; Georgakakos, Konstantine P.

2000-01-01

An integrated forecast-control system was designed to allow the profitable use of ensemble forecasts for the operational management of multi-purpose reservoirs. The system ingests large-scale climate model monthly precipitation through the adjustment of the marginal distribution of reservoir-catchment precipitation to reflect occurrence of monthly climate precipitation amounts in the extreme terciles of their distribution. Generation of ensemble reservoir inflow forecasts is then accomplished with due account for atmospheric- forcing and hydrologic- model uncertainties. These ensemble forecasts are ingested by the decision component of the integrated system, which generates non- inferior trade-off surfaces and, given management preferences, estimates of reservoir- management benefits over given periods. In collaboration with the Bureau of Reclamation and the California Nevada River Forecast Center, the integrated system is applied to Folsom Lake in California to evaluate the benefits for flood control, hydroelectric energy production, and low flow augmentation. In addition to retrospective studies involving the historical period 1964-1993, system simulations were performed for the future period 2001-2030, under a control (constant future greenhouse-gas concentrations assumed at the present levels) and a greenhouse-gas- increase (1-% per annum increase assumed) scenario. The present paper presents and validates ensemble 30-day reservoir- inflow forecasts under a variety of situations. Corresponding reservoir management results are presented in Yao and Georgakakos, A., this issue. Principle conclusions of this paper are that the integrated system provides reliable ensemble inflow volume forecasts at the 5-% confidence level for the majority of the deciles of forecast frequency, and that the use of climate model simulations is beneficial mainly during high flow periods. It is also found that, for future periods with potential sharp climatic increases of precipitation amount and to maintain good reliability levels, operational ensemble inflow forecasting should involve atmospheric forcing from appropriate climatic periods.

Effect of the Crystal Environment on Side-Chain Conformational Dynamics in Cyanovirin-N Investigated through Crystal and Solution Molecular Dynamics Simulations

PubMed Central

Ahlstrom, Logan S.; Vorontsov, Ivan I.; Shi, Jun; Miyashita, Osamu

2017-01-01

Side chains in protein crystal structures are essential for understanding biochemical processes such as catalysis and molecular recognition. However, crystal packing could influence side-chain conformation and dynamics, thus complicating functional interpretations of available experimental structures. Here we investigate the effect of crystal packing on side-chain conformational dynamics with crystal and solution molecular dynamics simulations using Cyanovirin-N as a model system. Side-chain ensembles for solvent-exposed residues obtained from simulation largely reflect the conformations observed in the X-ray structure. This agreement is most striking for crystal-contacting residues during crystal simulation. Given the high level of correspondence between our simulations and the X-ray data, we compare side-chain ensembles in solution and crystal simulations. We observe large decreases in conformational entropy in the crystal for several long, polar and contacting residues on the protein surface. Such cases agree well with the average loss in conformational entropy per residue upon protein folding and are accompanied by a change in side-chain conformation. This finding supports the application of surface engineering to facilitate crystallization. Our simulation-based approach demonstrated here with Cyanovirin-N establishes a framework for quantitatively comparing side-chain ensembles in solution and in the crystal across a larger set of proteins to elucidate the effect of the crystal environment on protein conformations. PMID:28107510

Effect of the Crystal Environment on Side-Chain Conformational Dynamics in Cyanovirin-N Investigated through Crystal and Solution Molecular Dynamics Simulations.

PubMed

Ahlstrom, Logan S; Vorontsov, Ivan I; Shi, Jun; Miyashita, Osamu

2017-01-01

Side chains in protein crystal structures are essential for understanding biochemical processes such as catalysis and molecular recognition. However, crystal packing could influence side-chain conformation and dynamics, thus complicating functional interpretations of available experimental structures. Here we investigate the effect of crystal packing on side-chain conformational dynamics with crystal and solution molecular dynamics simulations using Cyanovirin-N as a model system. Side-chain ensembles for solvent-exposed residues obtained from simulation largely reflect the conformations observed in the X-ray structure. This agreement is most striking for crystal-contacting residues during crystal simulation. Given the high level of correspondence between our simulations and the X-ray data, we compare side-chain ensembles in solution and crystal simulations. We observe large decreases in conformational entropy in the crystal for several long, polar and contacting residues on the protein surface. Such cases agree well with the average loss in conformational entropy per residue upon protein folding and are accompanied by a change in side-chain conformation. This finding supports the application of surface engineering to facilitate crystallization. Our simulation-based approach demonstrated here with Cyanovirin-N establishes a framework for quantitatively comparing side-chain ensembles in solution and in the crystal across a larger set of proteins to elucidate the effect of the crystal environment on protein conformations.

MicroRNA Intercellular Transfer and Bioelectrical Regulation of Model Multicellular Ensembles by the Gap Junction Connectivity.

PubMed

Cervera, Javier; Meseguer, Salvador; Mafe, Salvador

2017-08-17

We have studied theoretically the microRNA (miRNA) intercellular transfer through voltage-gated gap junctions in terms of a biophysically grounded system of coupled differential equations. Instead of modeling a specific system, we use a general approach describing the interplay between the genetic mechanisms and the single-cell electric potentials. The dynamics of the multicellular ensemble are simulated under different conditions including spatially inhomogeneous transcription rates and local intercellular transfer of miRNAs. These processes result in spatiotemporal changes of miRNA, mRNA, and ion channel protein concentrations that eventually modify the bioelectrical states of small multicellular domains because of the ensemble average nature of the electrical potential. The simulations allow a qualitative understanding of the context-dependent nature of the effects observed when specific signaling molecules are transferred through gap junctions. The results suggest that an efficient miRNA intercellular transfer could permit the spatiotemporal control of small cellular domains by the conversion of single-cell genetic and bioelectric states into multicellular states regulated by the gap junction interconnectivity.

Biased Metropolis Sampling for Rugged Free Energy Landscapes

NASA Astrophysics Data System (ADS)

Berg, Bernd A.

2003-11-01

Metropolis simulations of all-atom models of peptides (i.e. small proteins) are considered. Inspired by the funnel picture of Bryngelson and Wolyness, a transformation of the updating probabilities of the dihedral angles is defined, which uses probability densities from a higher temperature to improve the algorithmic performance at a lower temperature. The method is suitable for canonical as well as for generalized ensemble simulations. A simple approximation to the full transformation is tested at room temperature for Met-Enkephalin in vacuum. Integrated autocorrelation times are found to be reduced by factors close to two and a similar improvement due to generalized ensemble methods enters multiplicatively.

GPU-Based Interactive Exploration and Online Probability Maps Calculation for Visualizing Assimilated Ocean Ensembles Data

NASA Astrophysics Data System (ADS)

Hoteit, I.; Hollt, T.; Hadwiger, M.; Knio, O. M.; Gopalakrishnan, G.; Zhan, P.

2016-02-01

Ocean reanalyses and forecasts are nowadays generated by combining ensemble simulations with data assimilation techniques. Most of these techniques resample the ensemble members after each assimilation cycle. Tracking behavior over time, such as all possible paths of a particle in an ensemble vector field, becomes very difficult, as the number of combinations rises exponentially with the number of assimilation cycles. In general a single possible path is not of interest but only the probabilities that any point in space might be reached by a particle at some point in time. We present an approach using probability-weighted piecewise particle trajectories to allow for interactive probability mapping. This is achieved by binning the domain and splitting up the tracing process into the individual assimilation cycles, so that particles that fall into the same bin after a cycle can be treated as a single particle with a larger probability as input for the next cycle. As a result we loose the possibility to track individual particles, but can create probability maps for any desired seed at interactive rates. The technique is integrated in an interactive visualization system that enables the visual analysis of the particle traces side by side with other forecast variables, such as the sea surface height, and their corresponding behavior over time. By harnessing the power of modern graphics processing units (GPUs) for visualization as well as computation, our system allows the user to browse through the simulation ensembles in real-time, view specific parameter settings or simulation models and move between different spatial or temporal regions without delay. In addition our system provides advanced visualizations to highlight the uncertainty, or show the complete distribution of the simulations at user-defined positions over the complete time series of the domain.

A potato model intercomparison across varying climates and productivity levels.

PubMed

Fleisher, David H; Condori, Bruno; Quiroz, Roberto; Alva, Ashok; Asseng, Senthold; Barreda, Carolina; Bindi, Marco; Boote, Kenneth J; Ferrise, Roberto; Franke, Angelinus C; Govindakrishnan, Panamanna M; Harahagazwe, Dieudonne; Hoogenboom, Gerrit; Naresh Kumar, Soora; Merante, Paolo; Nendel, Claas; Olesen, Jorgen E; Parker, Phillip S; Raes, Dirk; Raymundo, Rubi; Ruane, Alex C; Stockle, Claudio; Supit, Iwan; Vanuytrecht, Eline; Wolf, Joost; Woli, Prem

2017-03-01

A potato crop multimodel assessment was conducted to quantify variation among models and evaluate responses to climate change. Nine modeling groups simulated agronomic and climatic responses at low-input (Chinoli, Bolivia and Gisozi, Burundi)- and high-input (Jyndevad, Denmark and Washington, United States) management sites. Two calibration stages were explored, partial (P1), where experimental dry matter data were not provided, and full (P2). The median model ensemble response outperformed any single model in terms of replicating observed yield across all locations. Uncertainty in simulated yield decreased from 38% to 20% between P1 and P2. Model uncertainty increased with interannual variability, and predictions for all agronomic variables were significantly different from one model to another (P < 0.001). Uncertainty averaged 15% higher for low- vs. high-input sites, with larger differences observed for evapotranspiration (ET), nitrogen uptake, and water use efficiency as compared to dry matter. A minimum of five partial, or three full, calibrated models was required for an ensemble approach to keep variability below that of common field variation. Model variation was not influenced by change in carbon dioxide (C), but increased as much as 41% and 23% for yield and ET, respectively, as temperature (T) or rainfall (W) moved away from historical levels. Increases in T accounted for the highest amount of uncertainty, suggesting that methods and parameters for T sensitivity represent a considerable unknown among models. Using median model ensemble values, yield increased on average 6% per 100-ppm C, declined 4.6% per °C, and declined 2% for every 10% decrease in rainfall (for nonirrigated sites). Differences in predictions due to model representation of light utilization were significant (P < 0.01). These are the first reported results quantifying uncertainty for tuber/root crops and suggest modeling assessments of climate change impact on potato may be improved using an ensemble approach. © 2016 John Wiley & Sons Ltd.

Free energy and phase equilibria for the restricted primitive model of ionic fluids from Monte Carlo simulations

NASA Astrophysics Data System (ADS)

Orkoulas, Gerassimos; Panagiotopoulos, Athanassios Z.

1994-07-01

In this work, we investigate the liquid-vapor phase transition of the restricted primitive model of ionic fluids. We show that at the low temperatures where the phase transition occurs, the system cannot be studied by conventional molecular simulation methods because convergence to equilibrium is slow. To accelerate convergence, we propose cluster Monte Carlo moves capable of moving more than one particle at a time. We then address the issue of charged particle transfers in grand canonical and Gibbs ensemble Monte Carlo simulations, for which we propose a biased particle insertion/destruction scheme capable of sampling short interparticle distances. We compute the chemical potential for the restricted primitive model as a function of temperature and density from grand canonical Monte Carlo simulations and the phase envelope from Gibbs Monte Carlo simulations. Our calculated phase coexistence curve is in agreement with recent results of Caillol obtained on the four-dimensional hypersphere and our own earlier Gibbs ensemble simulations with single-ion transfers, with the exception of the critical temperature, which is lower in the current calculations. Our best estimates for the critical parameters are T*c=0.053, ρ*c=0.025. We conclude with possible future applications of the biased techniques developed here for phase equilibrium calculations for ionic fluids.

An evaluation of the performance of a WRF multi-physics ensemble for heatwave events over the city of Melbourne in southeast Australia

NASA Astrophysics Data System (ADS)

Imran, H. M.; Kala, J.; Ng, A. W. M.; Muthukumaran, S.

2018-04-01

Appropriate choice of physics options among many physics parameterizations is important when using the Weather Research and Forecasting (WRF) model. The responses of different physics parameterizations of the WRF model may vary due to geographical locations, the application of interest, and the temporal and spatial scales being investigated. Several studies have evaluated the performance of the WRF model in simulating the mean climate and extreme rainfall events for various regions in Australia. However, no study has explicitly evaluated the sensitivity of the WRF model in simulating heatwaves. Therefore, this study evaluates the performance of a WRF multi-physics ensemble that comprises 27 model configurations for a series of heatwave events in Melbourne, Australia. Unlike most previous studies, we not only evaluate temperature, but also wind speed and relative humidity, which are key factors influencing heatwave dynamics. No specific ensemble member for all events explicitly showed the best performance, for all the variables, considering all evaluation metrics. This study also found that the choice of planetary boundary layer (PBL) scheme had largest influence, the radiation scheme had moderate influence, and the microphysics scheme had the least influence on temperature simulations. The PBL and microphysics schemes were found to be more sensitive than the radiation scheme for wind speed and relative humidity. Additionally, the study tested the role of Urban Canopy Model (UCM) and three Land Surface Models (LSMs). Although the UCM did not play significant role, the Noah-LSM showed better performance than the CLM4 and NOAH-MP LSMs in simulating the heatwave events. The study finally identifies an optimal configuration of WRF that will be a useful modelling tool for further investigations of heatwaves in Melbourne. Although our results are invariably region-specific, our results will be useful to WRF users investigating heatwave dynamics elsewhere.

Building an ensemble of climate scenarios for decision-making in hydrology: benefits, pitfalls and uncertainties

NASA Astrophysics Data System (ADS)

Braun, Marco; Chaumont, Diane

2013-04-01

Using climate model output to explore climate change impacts on hydrology requires several considerations, choices and methods in the post treatment of the datasets. In the effort of producing a comprehensive data base of climate change scenarios for over 300 watersheds in the Canadian province of Québec, a selection of state of the art procedures were applied to an ensemble comprising 87 climate simulations. The climate data ensemble is based on global climate simulations from the Coupled Model Intercomparison Project - Phase 3 (CMIP3) and regional climate simulations from the North American Regional Climate Change Assessment Program (NARCCAP) and operational simulations produced at Ouranos. Information on the response of hydrological systems to changing climate conditions can be derived by linking climate simulations with hydrological models. However, the direct use of raw climate model output variables as drivers for hydrological models is limited by issues such as spatial resolution and the calibration of hydro models with observations. Methods for downscaling and bias correcting the data are required to achieve seamless integration of climate simulations with hydro models. The effects on the results of four different approaches to data post processing were explored and compared. We present the lessons learned from building the largest data base yet for multiple stakeholders in the hydro power and water management sector in Québec putting an emphasis on the benefits and pitfalls in choosing simulations, extracting the data, performing bias corrections and documenting the results. A discussion of the sources and significance of uncertainties in the data will also be included. The climatological data base was subsequently used by the state owned hydro power company Hydro-Québec and the Centre d'expertise hydrique du Québec (CEHQ), the provincial water authority, to simulate future stream flows and analyse the impacts on hydrological indicators. While this submission focuses on the production of climatic scenarios for application in hydrology, the submission « The (cQ)2 project: assessing watershed scale hydrological changes for the province of Québec at the 2050 horizon, a collaborative framework » by Catherine Guay describes how Hydro-Québec and CEHQ put the data into use.

Teaching Classical Statistical Mechanics: A Simulation Approach.

ERIC Educational Resources Information Center

Sauer, G.

1981-01-01

Describes a one-dimensional model for an ideal gas to study development of disordered motion in Newtonian mechanics. A Monte Carlo procedure for simulation of the statistical ensemble of an ideal gas with fixed total energy is developed. Compares both approaches for a pseudoexperimental foundation of statistical mechanics. (Author/JN)

Multi-RCM ensemble downscaling of global seasonal forecasts (MRED)

NASA Astrophysics Data System (ADS)

Arritt, R.

2009-04-01

Regional climate models (RCMs) have long been used to downscale global climate simulations. In contrast the ability of RCMs to downscale seasonal climate forecasts has received little attention. The Multi-RCM Ensemble Downscaling (MRED) project was recently initiated to address the question, Does dynamical downscaling using RCMs provide additional useful information for seasonal forecasts made by global models? MRED is using a suite of RCMs to downscale seasonal forecasts produced by the National Centers for Environmental Prediction (NCEP) Climate Forecast System (CFS) seasonal forecast system and the NASA GEOS5 system. The initial focus is on wintertime forecasts in order to evaluate topographic forcing, snowmelt, and the usefulness of higher resolution for near-surface fields influenced by high resolution orography. Each RCM covers the conterminous U.S. at approximately 32 km resolution, comparable to the scale of the North American Regional Reanalysis (NARR) which will be used to evaluate the models. The forecast ensemble for each RCM is comprised of 15 members over a period of 22+ years (from 1982 to 2003+) for the forecast period 1 December - 30 April. Each RCM will create a 15-member lagged ensemble by starting on different dates in the preceding November. This results in a 120-member ensemble for each projection (8 RCMs by 15 members per RCM). The RCMs will be continually updated at their lateral boundaries using 6-hourly output from CFS or GEOS5. Hydrometeorological output will be produced in a standard netCDF-based format for a common analysis grid, which simplifies both model intercomparison and the generation of ensembles. MRED will compare individual RCM and global forecasts as well as ensemble mean precipitation and temperature forecasts, which are currently being used to drive macroscale land surface models (LSMs). Metrics of ensemble spread will also be evaluated. Extensive process-oriented analysis will be performed to link improvements in downscaled forecast skill to regional forcings and physical mechanisms. Our overarching goal is to determine what additional skill can be provided by a community ensemble of high resolution regional models, which we believe will define a strategy for more skillful and useful regional seasonal climate forecasts.

RNA unrestrained molecular dynamics ensemble improves agreement with experimental NMR data compared to single static structure: a test case

NASA Astrophysics Data System (ADS)

Beckman, Robert A.; Moreland, David; Louise-May, Shirley; Humblet, Christine

2006-05-01

Nuclear magnetic resonance (NMR) provides structural and dynamic information reflecting an average, often non-linear, of multiple solution-state conformations. Therefore, a single optimized structure derived from NMR refinement may be misleading if the NMR data actually result from averaging of distinct conformers. It is hypothesized that a conformational ensemble generated by a valid molecular dynamics (MD) simulation should be able to improve agreement with the NMR data set compared with the single optimized starting structure. Using a model system consisting of two sequence-related self-complementary ribonucleotide octamers for which NMR data was available, 0.3 ns particle mesh Ewald MD simulations were performed in the AMBER force field in the presence of explicit water and counterions. Agreement of the averaged properties of the molecular dynamics ensembles with NMR data such as homonuclear proton nuclear Overhauser effect (NOE)-based distance constraints, homonuclear proton and heteronuclear 1H-31P coupling constant ( J) data, and qualitative NMR information on hydrogen bond occupancy, was systematically assessed. Despite the short length of the simulation, the ensemble generated from it agreed with the NMR experimental constraints more completely than the single optimized NMR structure. This suggests that short unrestrained MD simulations may be of utility in interpreting NMR results. As expected, a 0.5 ns simulation utilizing a distance dependent dielectric did not improve agreement with the NMR data, consistent with its inferior exploration of conformational space as assessed by 2-D RMSD plots. Thus, ability to rapidly improve agreement with NMR constraints may be a sensitive diagnostic of the MD methods themselves.

Climate Modeling and Causal Identification for Sea Ice Predictability

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hunke, Elizabeth Clare; Urrego Blanco, Jorge Rolando; Urban, Nathan Mark

This project aims to better understand causes of ongoing changes in the Arctic climate system, particularly as decreasing sea ice trends have been observed in recent decades and are expected to continue in the future. As part of the Sea Ice Prediction Network, a multi-agency effort to improve sea ice prediction products on seasonal-to-interannual time scales, our team is studying sensitivity of sea ice to a collection of physical process and feedback mechanism in the coupled climate system. During 2017 we completed a set of climate model simulations using the fully coupled ACME-HiLAT model. The simulations consisted of experiments inmore » which cloud, sea ice, and air-ocean turbulent exchange parameters previously identified as important for driving output uncertainty in climate models were perturbed to account for parameter uncertainty in simulated climate variables. We conducted a sensitivity study to these parameters, which built upon a previous study we made for standalone simulations (Urrego-Blanco et al., 2016, 2017). Using the results from the ensemble of coupled simulations, we are examining robust relationships between climate variables that emerge across the experiments. We are also using causal discovery techniques to identify interaction pathways among climate variables which can help identify physical mechanisms and provide guidance in predictability studies. This work further builds on and leverages the large ensemble of standalone sea ice simulations produced in our previous w14_seaice project.« less

Quantifying Uncertainty in Model Predictions for the Pliocene (Plio-QUMP): Initial results

USGS Publications Warehouse

Pope, J.O.; Collins, M.; Haywood, A.M.; Dowsett, H.J.; Hunter, S.J.; Lunt, D.J.; Pickering, S.J.; Pound, M.J.

2011-01-01

Examination of the mid-Pliocene Warm Period (mPWP; ~. 3.3 to 3.0. Ma BP) provides an excellent opportunity to test the ability of climate models to reproduce warm climate states, thereby assessing our confidence in model predictions. To do this it is necessary to relate the uncertainty in model simulations of mPWP climate to uncertainties in projections of future climate change. The uncertainties introduced by the model can be estimated through the use of a Perturbed Physics Ensemble (PPE). Developing on the UK Met Office Quantifying Uncertainty in Model Predictions (QUMP) Project, this paper presents the results from an initial investigation using the end members of a PPE in a fully coupled atmosphere-ocean model (HadCM3) running with appropriate mPWP boundary conditions. Prior work has shown that the unperturbed version of HadCM3 may underestimate mPWP sea surface temperatures at higher latitudes. Initial results indicate that neither the low sensitivity nor the high sensitivity simulations produce unequivocally improved mPWP climatology relative to the standard. Whilst the high sensitivity simulation was able to reconcile up to 6 ??C of the data/model mismatch in sea surface temperatures in the high latitudes of the Northern Hemisphere (relative to the standard simulation), it did not produce a better prediction of global vegetation than the standard simulation. Overall the low sensitivity simulation was degraded compared to the standard and high sensitivity simulations in all aspects of the data/model comparison. The results have shown that a PPE has the potential to explore weaknesses in mPWP modelling simulations which have been identified by geological proxies, but that a 'best fit' simulation will more likely come from a full ensemble in which simulations that contain the strengths of the two end member simulations shown here are combined. ?? 2011 Elsevier B.V.

[Simulating of carbon fluxes in bamboo forest ecosystem using BEPS model based on the LAI assimilated with Dual Ensemble Kalman Filter].

PubMed

Li, Xue Jian; Mao, Fang Jie; Du, Hua Qiang; Zhou, Guo Mo; Xu, Xiao Jun; Li, Ping Heng; Liu, Yu Li; Cui, Lu

2016-12-01

LAI is one of the most important observation data in the research of carbon cycle of forest ecosystem, and it is also an important parameter to drive process-based ecosystem model. The Moso bamboo forest (MBF) and Lei bamboo forest (LBF) were selected as the study targets. Firstly, the MODIS LAI time series data during 2014-2015 was assimilated with Dual Ensemble Kalman Filter method. Secondly, the high quality assimilated MBF LAI and LBF LAI were used as input dataset to drive BEPS model for simulating the gross primary productivity (GPP), net ecosystem exchange (NEE) and total ecosystem respiration (TER) of the two types of bamboo forest ecosystem, respectively. The modeled carbon fluxes were evaluated by the observed carbon fluxes data, and the effects of different quality LAI inputs on carbon cycle simulation were also studied. The LAI assimilated using Dual Ensemble Kalman Filter of MBF and LBF were significantly correlated with the observed LAI, with high R 2 of 0.81 and 0.91 respectively, and lower RMSE and absolute bias, which represented the great improvement of the accuracy of MODIS LAI products. With the driving of assimilated LAI, the modeled GPP, NEE, and TER were also highly correlated with the flux observation data, with the R 2 of 0.66, 0.47, and 0.64 for MBF, respectively, and 0.66, 0.45, and 0.73 for LBF, respectively. The accuracy of carbon fluxes modeled with assimilated LAI was higher than that acquired by the locally adjusted cubic-spline capping method, in which, the accuracy of mo-deled NEE for MBF and LBF increased by 11.2% and 11.8% at the most degrees, respectively.

Weather extremes in very large, high-resolution ensembles: the weatherathome experiment

NASA Astrophysics Data System (ADS)

Allen, M. R.; Rosier, S.; Massey, N.; Rye, C.; Bowery, A.; Miller, J.; Otto, F.; Jones, R.; Wilson, S.; Mote, P.; Stone, D. A.; Yamazaki, Y. H.; Carrington, D.

2011-12-01

Resolution and ensemble size are often seen as alternatives in climate modelling. Models with sufficient resolution to simulate many classes of extreme weather cannot normally be run often enough to assess the statistics of rare events, still less how these statistics may be changing. As a result, assessments of the impact of external forcing on regional climate extremes must be based either on statistical downscaling from relatively coarse-resolution models, or statistical extrapolation from 10-year to 100-year events. Under the weatherathome experiment, part of the climateprediction.net initiative, we have compiled the Met Office Regional Climate Model HadRM3P to run on personal computer volunteered by the general public at 25 and 50km resolution, embedded within the HadAM3P global atmosphere model. With a global network of about 50,000 volunteers, this allows us to run time-slice ensembles of essentially unlimited size, exploring the statistics of extreme weather under a range of scenarios for surface forcing and atmospheric composition, allowing for uncertainty in both boundary conditions and model parameters. Current experiments, developed with the support of Microsoft Research, focus on three regions, the Western USA, Europe and Southern Africa. We initially simulate the period 1959-2010 to establish which variables are realistically simulated by the model and on what scales. Our next experiments are focussing on the Event Attribution problem, exploring how the probability of various types of extreme weather would have been different over the recent past in a world unaffected by human influence, following the design of Pall et al (2011), but extended to a longer period and higher spatial resolution. We will present the first results of the unique, global, participatory experiment and discuss the implications for the attribution of recent weather events to anthropogenic influence on climate.

Mechanism of ENSO influence on the South Asian monsoon rainfall in global model simulations

NASA Astrophysics Data System (ADS)

Joshi, Sneh; Kar, Sarat C.

2018-02-01

Coupled ocean atmosphere global climate models are increasingly being used for seasonal scale simulation of the South Asian monsoon. In these models, sea surface temperatures (SSTs) evolve as coupled air-sea interaction process. However, sensitivity experiments with various SST forcing can only be done in an atmosphere-only model. In this study, the Global Forecast System (GFS) model at T126 horizontal resolution has been used to examine the mechanism of El Niño-Southern Oscillation (ENSO) forcing on the monsoon circulation and rainfall. The model has been integrated (ensemble) with observed, climatological and ENSO SST forcing to document the mechanism on how the South Asian monsoon responds to basin-wide SST variations in the Indian and Pacific Oceans. The model simulations indicate that the internal variability gets modulated by the SSTs with warming in the Pacific enhancing the ensemble spread over the monsoon region as compared to cooling conditions. Anomalous easterly wind anomalies cover the Indian region both at 850 and 200 hPa levels during El Niño years. The locations and intensity of Walker and Hadley circulations are altered due to ENSO SST forcing. These lead to reduction of monsoon rainfall over most parts of India during El Niño events compared to La Niña conditions. However, internally generated variability is a major source of uncertainty in the model-simulated climate.

Thermal density functional theory, ensemble density functional theory, and potential functional theory for warm dense matter

NASA Astrophysics Data System (ADS)

Pribram-Jones, Aurora

Warm dense matter (WDM) is a high energy phase between solids and plasmas, with characteristics of both. It is present in the centers of giant planets, within the earth's core, and on the path to ignition of inertial confinement fusion. The high temperatures and pressures of warm dense matter lead to complications in its simulation, as both classical and quantum effects must be included. One of the most successful simulation methods is density functional theory-molecular dynamics (DFT-MD). Despite great success in a diverse array of applications, DFT-MD remains computationally expensive and it neglects the explicit temperature dependence of electron-electron interactions known to exist within exact DFT. Finite-temperature density functional theory (FT DFT) is an extension of the wildly successful ground-state DFT formalism via thermal ensembles, broadening its quantum mechanical treatment of electrons to include systems at non-zero temperatures. Exact mathematical conditions have been used to predict the behavior of approximations in limiting conditions and to connect FT DFT to the ground-state theory. An introduction to FT DFT is given within the context of ensemble DFT and the larger field of DFT is discussed for context. Ensemble DFT is used to describe ensembles of ground-state and excited systems. Exact conditions in ensemble DFT and the performance of approximations depend on ensemble weights. Using an inversion method, exact Kohn-Sham ensemble potentials are found and compared to approximations. The symmetry eigenstate Hartree-exchange approximation is in good agreement with exact calculations because of its inclusion of an ensemble derivative discontinuity. Since ensemble weights in FT DFT are temperature-dependent Fermi weights, this insight may help develop approximations well-suited to both ground-state and FT DFT. A novel, highly efficient approach to free energy calculations, finite-temperature potential functional theory, is derived, which has the potential to transform the simulation of warm dense matter. As a semiclassical method, it connects the normally disparate regimes of cold condensed matter physics and hot plasma physics. This orbital-free approach captures the smooth classical density envelope and quantum density oscillations that are both crucial to accurate modeling of materials where temperature and pressure effects are influential.

Classifying Multi-Model Wheat Yield Impact Response Surfaces Showing Sensitivity to Temperature and Precipitation Change

NASA Technical Reports Server (NTRS)

Fronzek, Stefan; Pirttioja, Nina; Carter, Timothy R.; Bindi, Marco; Hoffmann, Holger; Palosuo, Taru; Ruiz-Ramos, Margarita; Tao, Fulu; Trnka, Miroslav; Acutis, Marco;

Analysis of the WRF-Chem simulations contributing to the AQMEII-Phase II exercise with respect to aerosol impact on precipitation

NASA Astrophysics Data System (ADS)

Werhahn, Johannes; Balzarini, Allessandra; Baró, Roccio; Curci, Gabriele; Forkel, Renate; Hirtl, Marcus; Honzak, Luka; Jiménez-Guerrero, Pedro; Langer, Matthias; Lorenz, Christof; Pérez, Juan L.; Pirovano, Guido; San José, Roberto; Tuccella, Paolo; Žabkar, Rahela

2014-05-01

Simulated feedback effects between aerosol concentrations and meteorological variables and on pollutant distributions are expected to depend on model configuration and the meteorological situation. In order to quantity these effects the second phase of the AQMEII (Air Quality Model Evaluation International Initiative; http://aqmeii.jrc.ec.europa.eu/) model inter-comparison exercise focused on online coupled meteorology-chemistry models. Among others, seven of the participating groups contributed simulations with WRF-Chem (Grell et al., 2005) for Europe. According to the common simulation strategy for AQMEII phase 2, the entire year 2010 was simulated as a sequence of 2-day time slices. For better comparability, the seven groups using WRF-Chem applied the same grid spacing of 23 km and shared common processing of initial and boundary conditions as well as anthropogenic and fire emissions. The simulations differ by the chosen chemistry option, aerosol module, cloud microphysics, and by the degree of aerosol-meteorology feedback that was considered. Results from this small ensemble are analyzed with respect to the effect of the different degrees of aerosol-meteorology feedback, i.e. no aerosol feedback, direct aerosol effect, and direct plus indirect aerosol effect, on large scale precipitation. Simulated precipitation fields were compared against daily precipitation observations as given by E-OBS 25 km resolution gridded dataset from the EU-FP6 project ENSEMBLES (http://ensembles-eu.metoffice.com) and the data providers in the ECA&D project (http://www.ecad.eu). As expected, a first analysis confirms that the average impact of aerosol feedback is only very small on the considered spatial and temporal scale, i.e. due to the fact that initial meteorological conditions were taken every 3rd day from a one day non-feedback spin-up run. However, the analysis of the correlations between simulation and observations for the first and the second day indicates for some particular situations and regions a slightly better correlation when the aerosol indirect effect is accounted for.

Storm Surge Simulation and Ensemble Forecast for Hurricane Irene (2011)

NASA Astrophysics Data System (ADS)

Lin, N.; Emanuel, K.

2012-12-01

Hurricane Irene, raking the U.S. East Coast during the period of 26-30 August 2011, caused widespread damage estimated at $15.8 billion and was responsible for 49 direct deaths (Avila and Cangialosi, 2011). Although the most severe impact in the northeastern U.S. was catastrophic inland flooding, with its unusually large size, Irene also generated high waves and storm surges and caused moderate to major coastal flooding. The most severe surge damage occurred between Oregon Inlet and Cape Hatteras in North Carolina (NC). Significant storm surge damage also occurred along southern Chesapeake Bay, and moderate and high surges were observed along the coast from New Jersey (NJ) northward. A storm surge of 0.9-1.8 m caused hundreds of millions of dollars in property damage in New York City (NYC) and Long Island, despite the fact that the storm made landfall to the west of NYC with peak winds of no more than tropical storm strength. Making three U.S. landfalls (in NC, NJ, and NY), Hurricane Irene provides a unique case for studying storm surge along the eastern U.S. coastline. We apply the hydrodynamic model ADCIRC (Luettich et al. 1992) to conduct surge simulations for Pamlico Sound, Chesapeake Bay, and NYC, using best track data and parametric wind and pressure models. The results agree well with tidal-gauge observations. Then we explore a new methodology for storm surge ensemble forecasting and apply it to Irene. This method applies a statistical/deterministic hurricane model (Emanuel et al. 2006) to generate large numbers of storm ensembles under the storm environment described by the 51 ECMWF ensemble members. The associated surge ensembles are then generated with the ADCIRC model. The numerical simulation is computationally efficient, making the method applicable to real-time storm surge ensemble forecasting. We report the results for NYC in this presentation. The ADCIRC simulation using the best track data generates a storm surge of 1.3 m and a storm tide of 2.1 m at the Battery, NYC, which agree well with the observed storm surge of 1.33 m and storm tide of 2.12 m, although the simulated surge arrives about 2 hours earlier than the observed. Based on the surge climatology estimated by Lin et al. (2012), Hurricane Irene's storm surge is approximately a 60-year event for NYC, but its storm tide, with the surge happening right at the high astronomical tide, is a 100-year event. Lin et al. (2012) also projected that such 100-year storm tide events might occur on average every 3-20 years by the end of the century, under the IPCC A1B emission scenario and a 1-m sea level rise. The ensemble forecasting, starting from two and one days (each with 1000 ensembles) before Irene's first landfall in NC, shows that Irene's actual storm surge at the Battery had a chance of about 9% and 10% to be exceeded, respectively. The largest surges among the two ensemble sets are 2.28 m and 2.05 m, respectively. If happening at the high tide, as with Hurricane Irene, the worst-case storm tides would be about 3-3.2 m, similar to the highest historical water level at the Battery due to a hurricane in 1821. Lin et al. (2012) estimated that such a storm tide of about 3.1 m had a return period of about 500 years under current climate conditions, but the return period might become 25-240 years by the end of the century, under the IPCC A1B emission scenario and a 1-m sea level rise.

Performance of Trajectory Models with Wind Uncertainty

NASA Technical Reports Server (NTRS)

Lee, Alan G.; Weygandt, Stephen S.; Schwartz, Barry; Murphy, James R.

2009-01-01

Typical aircraft trajectory predictors use wind forecasts but do not account for the forecast uncertainty. A method for generating estimates of wind prediction uncertainty is described and its effect on aircraft trajectory prediction uncertainty is investigated. The procedure for estimating the wind prediction uncertainty relies uses a time-lagged ensemble of weather model forecasts from the hourly updated Rapid Update Cycle (RUC) weather prediction system. Forecast uncertainty is estimated using measures of the spread amongst various RUC time-lagged ensemble forecasts. This proof of concept study illustrates the estimated uncertainty and the actual wind errors, and documents the validity of the assumed ensemble-forecast accuracy relationship. Aircraft trajectory predictions are made using RUC winds with provision for the estimated uncertainty. Results for a set of simulated flights indicate this simple approach effectively translates the wind uncertainty estimate into an aircraft trajectory uncertainty. A key strength of the method is the ability to relate uncertainty to specific weather phenomena (contained in the various ensemble members) allowing identification of regional variations in uncertainty.

Modeling the effects of high-G stress on pilots in a tracking task

NASA Technical Reports Server (NTRS)

Korn, J.; Kleinman, D. L.

1978-01-01

Air-to-air tracking experiments were conducted at the Aerospace Medical Research Laboratories using both fixed and moving base dynamic environment simulators. The obtained data, which includes longitudinal error of a simulated air-to-air tracking task as well as other auxiliary variables, was analyzed using an ensemble averaging method. In conjunction with these experiments, the optimal control model is applied to model a human operator under high-G stress.

Detection and Attribution of Simulated Climatic Extreme Events and Impacts: High Sensitivity to Bias Correction

NASA Astrophysics Data System (ADS)

Sippel, S.; Otto, F. E. L.; Forkel, M.; Allen, M. R.; Guillod, B. P.; Heimann, M.; Reichstein, M.; Seneviratne, S. I.; Kirsten, T.; Mahecha, M. D.

2015-12-01

Understanding, quantifying and attributing the impacts of climatic extreme events and variability is crucial for societal adaptation in a changing climate. However, climate model simulations generated for this purpose typically exhibit pronounced biases in their output that hinders any straightforward assessment of impacts. To overcome this issue, various bias correction strategies are routinely used to alleviate climate model deficiencies most of which have been criticized for physical inconsistency and the non-preservation of the multivariate correlation structure. We assess how biases and their correction affect the quantification and attribution of simulated extremes and variability in i) climatological variables and ii) impacts on ecosystem functioning as simulated by a terrestrial biosphere model. Our study demonstrates that assessments of simulated climatic extreme events and impacts in the terrestrial biosphere are highly sensitive to bias correction schemes with major implications for the detection and attribution of these events. We introduce a novel ensemble-based resampling scheme based on a large regional climate model ensemble generated by the distributed weather@home setup[1], which fully preserves the physical consistency and multivariate correlation structure of the model output. We use extreme value statistics to show that this procedure considerably improves the representation of climatic extremes and variability. Subsequently, biosphere-atmosphere carbon fluxes are simulated using a terrestrial ecosystem model (LPJ-GSI) to further demonstrate the sensitivity of ecosystem impacts to the methodology of bias correcting climate model output. We find that uncertainties arising from bias correction schemes are comparable in magnitude to model structural and parameter uncertainties. The present study consists of a first attempt to alleviate climate model biases in a physically consistent way and demonstrates that this yields improved simulations of climate extremes and associated impacts. [1] http://www.climateprediction.net/weatherathome/

Separation of land-use change induced signals from noise by means of evaluating perturbed RCM ensembles: Assessing the potential impacts of urbanization and deforestation in Central Vietnam

NASA Astrophysics Data System (ADS)

Laux, Patrick; Nguyen, Phuong N. B.; Cullmann, Johannes; Kunstmann, Harald

2016-04-01

Regional climate models (RCMs) comprise both terrestrial and atmospheric compartments and thereby allowing to study land atmosphere feedbacks, and in particular the land-use and climate change impacts. In this study, a methodological framework is developed to separate the land use change induced signals in RCM simulations from noise caused by perturbed initial boundary conditions. The framework is applied for two different case studies in SE Asia, i.e. an urbanization and a deforestation scenario, which are implemented into the Weather Research and Forecasting (WRF) model. The urbanization scenario is produced for Da Nang, one of the fastest growing cities in Central Vietnam, by converting the land-use in a 20 km, 14 km, and 9 km radius around the Da Nang meteorological station systematically from cropland to urban. Likewise, three deforestation scenarios are derived for Nong Son (Central Vietnam). Based on WRF ensemble simulations with perturbed initial conditions for 2010, the signal to-noise ratio (SNR) is calculated to identify areas with pronounced signals induced by LULCC. While clear and significant signals are found for air temperature, latent and sensible heat flux in the urbanization scenario (SNR values up to 24), the signals are not pronounced for deforestation (SNR values < 1). Albeit statistically significant signals are found for precipitation, low SNR values hinder scientifically sound inferences for climate change adaptation options. It is demonstrated that ensemble simulations with more than at least 5 ensemble members are required to derive robust LULCC adaptation strategies, particularly if precipitation is considered. This is rarely done in practice, thus potentially leading to erroneous estimates of the LULCC induced signals of water and energy fluxes, which are propagated through the regional climate - hydrological model modeling chains, and finally leading to unfavorable decision support.

Evaluating the ClimEx Single Model Large Ensemble in Comparison with EURO-CORDEX Results of Seasonal Means and Extreme Precipitation Indicators

NASA Astrophysics Data System (ADS)

von Trentini, F.; Schmid, F. J.; Braun, M.; Brisette, F.; Frigon, A.; Leduc, M.; Martel, J. L.; Willkofer, F.; Wood, R. R.; Ludwig, R.

2017-12-01

Meteorological extreme events seem to become more frequent in the present and future, and a seperation of natural climate variability and a clear climate change effect on these extreme events gains more and more interest. Since there is only one realisation of historical events, natural variability in terms of very long timeseries for a robust statistical analysis is not possible with observation data. A new single model large ensemble (SMLE), developed for the ClimEx project (Climate change and hydrological extreme events - risks and perspectives for water management in Bavaria and Québec) is supposed to overcome this lack of data by downscaling 50 members of the CanESM2 (RCP 8.5) with the Canadian CRCM5 regional model (using the EURO-CORDEX grid specifications) for timeseries of 1950-2099 each, resulting in 7500 years of simulated climate. This allows for a better probabilistic analysis of rare and extreme events than any preceding dataset. Besides seasonal sums, several extreme indicators like R95pTOT, RX5day and others are calculated for the ClimEx ensemble and several EURO-CORDEX runs. This enables us to investigate the interaction between natural variability (as it appears in the CanESM2-CRCM5 members) and a climate change signal of those members for past, present and future conditions. Adding the EURO-CORDEX results to this, we can also assess the role of internal model variability (or natural variability) in climate change simulations. A first comparison shows similar magnitudes of variability of climate change signals between the ClimEx large ensemble and the CORDEX runs for some indicators, while for most indicators the spread of the SMLE is smaller than the spread of different CORDEX models.

Risk Based Reservoir Operations Using Ensemble Streamflow Predictions for Lake Mendocino in Mendocino County, California

NASA Astrophysics Data System (ADS)

Delaney, C.; Mendoza, J.; Whitin, B.; Hartman, R. K.

2017-12-01

Ensemble Forecast Operations (EFO) is a risk based approach of reservoir flood operations that incorporates ensemble streamflow predictions (ESPs) made by NOAA's California-Nevada River Forecast Center (CNRFC). With the EFO approach, each member of an ESP is individually modeled to forecast system conditions and calculate risk of reaching critical operational thresholds. Reservoir release decisions are computed which seek to manage forecasted risk to established risk tolerance levels. A water management model was developed for Lake Mendocino, a 111,000 acre-foot reservoir located near Ukiah, California, to evaluate the viability of the EFO alternative to improve water supply reliability but not increase downstream flood risk. Lake Mendocino is a dual use reservoir, which is owned and operated for flood control by the United States Army Corps of Engineers and is operated for water supply by the Sonoma County Water Agency. Due to recent changes in the operations of an upstream hydroelectric facility, this reservoir has suffered from water supply reliability issues since 2007. The EFO alternative was simulated using a 26-year (1985-2010) ESP hindcast generated by the CNRFC, which approximates flow forecasts for 61 ensemble members for a 15-day horizon. Model simulation results of the EFO alternative demonstrate a 36% increase in median end of water year (September 30) storage levels over existing operations. Additionally, model results show no increase in occurrence of flows above flood stage for points downstream of Lake Mendocino. This investigation demonstrates that the EFO alternative may be a viable approach for managing Lake Mendocino for multiple purposes (water supply, flood mitigation, ecosystems) and warrants further investigation through additional modeling and analysis.

Regionalization of post-processed ensemble runoff forecasts

NASA Astrophysics Data System (ADS)

Olav Skøien, Jon; Bogner, Konrad; Salamon, Peter; Smith, Paul; Pappenberger, Florian

2016-05-01

For many years, meteorological models have been run with perturbated initial conditions or parameters to produce ensemble forecasts that are used as a proxy of the uncertainty of the forecasts. However, the ensembles are usually both biased (the mean is systematically too high or too low, compared with the observed weather), and has dispersion errors (the ensemble variance indicates a too low or too high confidence in the forecast, compared with the observed weather). The ensembles are therefore commonly post-processed to correct for these shortcomings. Here we look at one of these techniques, referred to as Ensemble Model Output Statistics (EMOS) (Gneiting et al., 2005). Originally, the post-processing parameters were identified as a fixed set of parameters for a region. The application of our work is the European Flood Awareness System (http://www.efas.eu), where a distributed model is run with meteorological ensembles as input. We are therefore dealing with a considerably larger data set than previous analyses. We also want to regionalize the parameters themselves for other locations than the calibration gauges. The post-processing parameters are therefore estimated for each calibration station, but with a spatial penalty for deviations from neighbouring stations, depending on the expected semivariance between the calibration catchment and these stations. The estimated post-processed parameters can then be used for regionalization of the postprocessing parameters also for uncalibrated locations using top-kriging in the rtop-package (Skøien et al., 2006, 2014). We will show results from cross-validation of the methodology and although our interest is mainly in identifying exceedance probabilities for certain return levels, we will also show how the rtop package can be used for creating a set of post-processed ensembles through simulations.

A GLM Post-processor to Adjust Ensemble Forecast Traces

NASA Astrophysics Data System (ADS)

Thiemann, M.; Day, G. N.; Schaake, J. C.; Draijer, S.; Wang, L.

2011-12-01

The skill of hydrologic ensemble forecasts has improved in the last years through a better understanding of climate variability, better climate forecasts and new data assimilation techniques. Having been extensively utilized for probabilistic water supply forecasting, interest is developing to utilize these forecasts in operational decision making. Hydrologic ensemble forecast members typically have inherent biases in flow timing and volume caused by (1) structural errors in the models used, (2) systematic errors in the data used to calibrate those models, (3) uncertain initial hydrologic conditions, and (4) uncertainties in the forcing datasets. Furthermore, hydrologic models have often not been developed for operational decision points and ensemble forecasts are thus not always available where needed. A statistical post-processor can be used to address these issues. The post-processor should (1) correct for systematic biases in flow timing and volume, (2) preserve the skill of the available raw forecasts, (3) preserve spatial and temporal correlation as well as the uncertainty in the forecasted flow data, (4) produce adjusted forecast ensembles that represent the variability of the observed hydrograph to be predicted, and (5) preserve individual forecast traces as equally likely. The post-processor should also allow for the translation of available ensemble forecasts to hydrologically similar locations where forecasts are not available. This paper introduces an ensemble post-processor (EPP) developed in support of New York City water supply operations. The EPP employs a general linear model (GLM) to (1) adjust available ensemble forecast traces and (2) create new ensembles for (nearby) locations where only historic flow observations are available. The EPP is calibrated by developing daily and aggregated statistical relationships form historical flow observations and model simulations. These are then used in operation to obtain the conditional probability density function (PDF) of the observations to be predicted, thus jointly adjusting individual ensemble members. These steps are executed in a normalized transformed space ('z'-space) to account for the strong non-linearity in the flow observations involved. A data window centered on each calibration date is used to minimize impacts from sampling errors and data noise. Testing on datasets from California and New York suggests that the EPP can successfully minimize biases in ensemble forecasts, while preserving the raw forecast skill in a 'days to weeks' forecast horizon and reproducing the variability of climatology for 'weeks to years' forecast horizons.

Using a Very Large Ensemble to Examine the Role of the Ocean in Recent Warming Trends.

NASA Astrophysics Data System (ADS)

Sparrow, S. N.; Millar, R.; Otto, A.; Yamazaki, K.; Allen, M. R.

2014-12-01

Results from a very large (~10,000 member) perturbed physics and perturbed initial condition ensemble are presented for the period 1980 to present. A set of model versions that can shadow recent surface and upper ocean observations are identified and the range of uncertainty in the Atlantic Meridional Overturning Circulation (AMOC) assessed. This experiment uses the Met Office Hadley Centre Coupled Model version 3 (HadCM3), a coupled model with fully dynamic atmosphere and ocean components as part of the climateprediction.net distributive computing project. Parameters are selected so that the model has good top of atmosphere radiative balance and simulations are run without flux adjustments that "nudge" the climate towards a realistic state, but have an adverse effect on important ocean processes. This ensemble provides scientific insights on the possible role of the AMOC, among other factors, in climate trends, or lack thereof, over the past 20 years. This ensemble is also used to explore how the occurrence of hiatus events of different durations varies for models with different transient climate response (TCR). We show that models with a higher TCR are less likely to produce a 15-year warming hiatus in global surface temperature than those with a lower TCR.

Scale-Similar Models for Large-Eddy Simulations

NASA Technical Reports Server (NTRS)

Sarghini, F.

1999-01-01

Scale-similar models employ multiple filtering operations to identify the smallest resolved scales, which have been shown to be the most active in the interaction with the unresolved subgrid scales. They do not assume that the principal axes of the strain-rate tensor are aligned with those of the subgrid-scale stress (SGS) tensor, and allow the explicit calculation of the SGS energy. They can provide backscatter in a numerically stable and physically realistic manner, and predict SGS stresses in regions that are well correlated with the locations where large Reynolds stress occurs. In this paper, eddy viscosity and mixed models, which include an eddy-viscosity part as well as a scale-similar contribution, are applied to the simulation of two flows, a high Reynolds number plane channel flow, and a three-dimensional, nonequilibrium flow. The results show that simulations without models or with the Smagorinsky model are unable to predict nonequilibrium effects. Dynamic models provide an improvement of the results: the adjustment of the coefficient results in more accurate prediction of the perturbation from equilibrium. The Lagrangian-ensemble approach [Meneveau et al., J. Fluid Mech. 319, 353 (1996)] is found to be very beneficial. Models that included a scale-similar term and a dissipative one, as well as the Lagrangian ensemble averaging, gave results in the best agreement with the direct simulation and experimental data.

Impacts of Considering Climate Variability on Investment Decisions in Ethiopia

NASA Astrophysics Data System (ADS)

Strzepek, K.; Block, P.; Rosegrant, M.; Diao, X.

2005-12-01

In Ethiopia, climate extremes, inducing droughts or floods, are not unusual. Monitoring the effects of these extremes, and climate variability in general, is critical for economic prediction and assessment of the country's future welfare. The focus of this study involves adding climate variability to a deterministic, mean climate-driven agro-economic model, in an attempt to understand its effects and degree of influence on general economic prediction indicators for Ethiopia. Four simulations are examined, including a baseline simulation and three investment strategies: simulations of irrigation investment, roads investment, and a combination investment of both irrigation and roads. The deterministic model is transformed into a stochastic model by dynamically adding year-to-year climate variability through climate-yield factors. Nine sets of actual, historic, variable climate data are individually assembled and implemented into the 12-year stochastic model simulation, producing an ensemble of economic prediction indicators. This ensemble allows for a probabilistic approach to planning and policy making, allowing decision makers to consider risk. The economic indicators from the deterministic and stochastic approaches, including rates of return to investments, are significantly different. The predictions of the deterministic model appreciably overestimate the future welfare of Ethiopia; the predictions of the stochastic model, utilizing actual climate data, tend to give a better semblance of what may be expected. Inclusion of climate variability is vital for proper analysis of the predictor values from this agro-economic model.

Deriving user-informed climate information from climate model ensemble results

NASA Astrophysics Data System (ADS)

Huebener, Heike; Hoffmann, Peter; Keuler, Klaus; Pfeifer, Susanne; Ramthun, Hans; Spekat, Arne; Steger, Christian; Warrach-Sagi, Kirsten

2017-07-01

Communication between providers and users of climate model simulation results still needs to be improved. In the German regional climate modeling project ReKliEs-De a midterm user workshop was conducted to allow the intended users of the project results to assess the preliminary results and to streamline the final project results to their needs. The user feedback highlighted, in particular, the still considerable gap between climate research output and user-tailored input for climate impact research. Two major requests from the user community addressed the selection of sub-ensembles and some condensed, easy to understand information on the strengths and weaknesses of the climate models involved in the project.

New Approaches to Quantifying Transport Model Error in Atmospheric CO2 Simulations

NASA Technical Reports Server (NTRS)

Ott, L.; Pawson, S.; Zhu, Z.; Nielsen, J. E.; Collatz, G. J.; Gregg, W. W.

2012-01-01

In recent years, much progress has been made in observing CO2 distributions from space. However, the use of these observations to infer source/sink distributions in inversion studies continues to be complicated by difficulty in quantifying atmospheric transport model errors. We will present results from several different experiments designed to quantify different aspects of transport error using the Goddard Earth Observing System, Version 5 (GEOS-5) Atmospheric General Circulation Model (AGCM). In the first set of experiments, an ensemble of simulations is constructed using perturbations to parameters in the model s moist physics and turbulence parameterizations that control sub-grid scale transport of trace gases. Analysis of the ensemble spread and scales of temporal and spatial variability among the simulations allows insight into how parameterized, small-scale transport processes influence simulated CO2 distributions. In the second set of experiments, atmospheric tracers representing model error are constructed using observation minus analysis statistics from NASA's Modern-Era Retrospective Analysis for Research and Applications (MERRA). The goal of these simulations is to understand how errors in large scale dynamics are distributed, and how they propagate in space and time, affecting trace gas distributions. These simulations will also be compared to results from NASA's Carbon Monitoring System Flux Pilot Project that quantified the impact of uncertainty in satellite constrained CO2 flux estimates on atmospheric mixing ratios to assess the major factors governing uncertainty in global and regional trace gas distributions.

Evaluation of global climate model on performances of precipitation simulation and prediction in the Huaihe River basin

NASA Astrophysics Data System (ADS)

Wu, Yenan; Zhong, Ping-an; Xu, Bin; Zhu, Feilin; Fu, Jisi

2017-06-01

Using climate models with high performance to predict the future climate changes can increase the reliability of results. In this paper, six kinds of global climate models that selected from the Coupled Model Intercomparison Project Phase 5 (CMIP5) under Representative Concentration Path (RCP) 4.5 scenarios were compared to the measured data during baseline period (1960-2000) and evaluate the simulation performance on precipitation. Since the results of single climate models are often biased and highly uncertain, we examine the back propagation (BP) neural network and arithmetic mean method in assembling the precipitation of multi models. The delta method was used to calibrate the result of single model and multimodel ensembles by arithmetic mean method (MME-AM) during the validation period (2001-2010) and the predicting period (2011-2100). We then use the single models and multimodel ensembles to predict the future precipitation process and spatial distribution. The result shows that BNU-ESM model has the highest simulation effect among all the single models. The multimodel assembled by BP neural network (MME-BP) has a good simulation performance on the annual average precipitation process and the deterministic coefficient during the validation period is 0.814. The simulation capability on spatial distribution of precipitation is: calibrated MME-AM > MME-BP > calibrated BNU-ESM. The future precipitation predicted by all models tends to increase as the time period increases. The order of average increase amplitude of each season is: winter > spring > summer > autumn. These findings can provide useful information for decision makers to make climate-related disaster mitigation plans.

Dynamically adaptive data-driven simulation of extreme hydrological flows

NASA Astrophysics Data System (ADS)

Kumar Jain, Pushkar; Mandli, Kyle; Hoteit, Ibrahim; Knio, Omar; Dawson, Clint

2018-02-01

Hydrological hazards such as storm surges, tsunamis, and rainfall-induced flooding are physically complex events that are costly in loss of human life and economic productivity. Many such disasters could be mitigated through improved emergency evacuation in real-time and through the development of resilient infrastructure based on knowledge of how systems respond to extreme events. Data-driven computational modeling is a critical technology underpinning these efforts. This investigation focuses on the novel combination of methodologies in forward simulation and data assimilation. The forward geophysical model utilizes adaptive mesh refinement (AMR), a process by which a computational mesh can adapt in time and space based on the current state of a simulation. The forward solution is combined with ensemble based data assimilation methods, whereby observations from an event are assimilated into the forward simulation to improve the veracity of the solution, or used to invert for uncertain physical parameters. The novelty in our approach is the tight two-way coupling of AMR and ensemble filtering techniques. The technology is tested using actual data from the Chile tsunami event of February 27, 2010. These advances offer the promise of significantly transforming data-driven, real-time modeling of hydrological hazards, with potentially broader applications in other science domains.

Assessing the impact of land use change on hydrology by ensemble modeling (LUCHEM). I: Model intercomparison with current land use

USGS Publications Warehouse

Breuer, L.; Huisman, J.A.; Willems, P.; Bormann, H.; Bronstert, A.; Croke, B.F.W.; Frede, H.-G.; Graff, T.; Hubrechts, L.; Jakeman, A.J.; Kite, G.; Lanini, J.; Leavesley, G.; Lettenmaier, D.P.; Lindstrom, G.; Seibert, J.; Sivapalan, M.; Viney, N.R.

2009-01-01

This paper introduces the project on 'Assessing the impact of land use change on hydrology by ensemble modeling (LUCHEM)' that aims at investigating the envelope of predictions on changes in hydrological fluxes due to land use change. As part of a series of four papers, this paper outlines the motivation and setup of LUCHEM, and presents a model intercomparison for the present-day simulation results. Such an intercomparison provides a valuable basis to investigate the effects of different model structures on model predictions and paves the ground for the analysis of the performance of multi-model ensembles and the reliability of the scenario predictions in companion papers. In this study, we applied a set of 10 lumped, semi-lumped and fully distributed hydrological models that have been previously used in land use change studies to the low mountainous Dill catchment, Germany. Substantial differences in model performance were observed with Nash-Sutcliffe efficiencies ranging from 0.53 to 0.92. Differences in model performance were attributed to (1) model input data, (2) model calibration and (3) the physical basis of the models. The models were applied with two sets of input data: an original and a homogenized data set. This homogenization of precipitation, temperature and leaf area index was performed to reduce the variation between the models. Homogenization improved the comparability of model simulations and resulted in a reduced average bias, although some variation in model data input remained. The effect of the physical differences between models on the long-term water balance was mainly attributed to differences in how models represent evapotranspiration. Semi-lumped and lumped conceptual models slightly outperformed the fully distributed and physically based models. This was attributed to the automatic model calibration typically used for this type of models. Overall, however, we conclude that there was no superior model if several measures of model performance are considered and that all models are suitable to participate in further multi-model ensemble set-ups and land use change scenario investigations. ?? 2008 Elsevier Ltd. All rights reserved.

Future Flows Hydrology: an ensemble of daily river flow and monthly groundwater levels for use for climate change impact assessment across Great Britain

NASA Astrophysics Data System (ADS)

Prudhomme, C.; Haxton, T.; Crooks, S.; Jackson, C.; Barkwith, A.; Williamson, J.; Kelvin, J.; Mackay, J.; Wang, L.; Young, A.; Watts, G.

2012-12-01

The dataset Future Flows Hydrology was developed as part of the project "Future Flows and Groundwater Levels" to provide a consistent set of transient daily river flow and monthly groundwater levels projections across England, Wales and Scotland to enable the investigation of the role of climate variability on river flow and groundwater levels nationally and how this may change in the future. Future Flows Hydrology is derived from Future Flows Climate, a national ensemble projection derived from the Hadley Centre's ensemble projection HadRM3-PPE to provide a consistent set of climate change projections for the whole of Great Britain at both space and time resolutions appropriate for hydrological applications. Three hydrological models and one groundwater level model were used to derive Future Flows Hydrology, with 30 river sites simulated by two hydrological models to enable assessment of hydrological modelling uncertainty in studying the impact of climate change on the hydrology. Future Flows Hydrology contains an 11-member ensemble of transient projections from January 1951 to December 2098, each associated with a single realisation from a different variant of HadRM3 and a single hydrological model. Daily river flows are provided for 281 river catchments and monthly groundwater levels at 24 boreholes as .csv files containing all 11 ensemble members. When separate simulations are done with two hydrological models, two separate .csv files are provided. Because of potential biases in the climate-hydrology modelling chain, catchment fact sheets are associated with each ensemble. These contain information on the uncertainty associated with the hydrological modelling when driven using observed climate and Future Flows Climate for a period representative of the reference time slice 1961-1990 as described by key hydrological statistics. Graphs of projected changes for selected hydrological indicators are also provided for the 2050s time slice. Limitations associated with the dataset are provided, along with practical recommendation of use. Future Flows Hydrology is freely available for non-commercial use under certain licensing conditions. For each study site, catchment averages of daily precipitation and monthly potential evapotranspiration, used to drive the hydrological models, are made available, so that hydrological modelling uncertainty under climate change conditions can be explored further. doi:10.5285/f3723162-4fed-4d9d-92c6-dd17412fa37b.

Future Flows Hydrology: an ensemble of daily river flow and monthly groundwater levels for use for climate change impact assessment across Great Britain

NASA Astrophysics Data System (ADS)

Prudhomme, C.; Haxton, T.; Crooks, S.; Jackson, C.; Barkwith, A.; Williamson, J.; Kelvin, J.; Mackay, J.; Wang, L.; Young, A.; Watts, G.

2013-03-01

The dataset Future Flows Hydrology was developed as part of the project "Future Flows and Groundwater Levels'' to provide a consistent set of transient daily river flow and monthly groundwater level projections across England, Wales and Scotland to enable the investigation of the role of climate variability on river flow and groundwater levels nationally and how this may change in the future. Future Flows Hydrology is derived from Future Flows Climate, a national ensemble projection derived from the Hadley Centre's ensemble projection HadRM3-PPE to provide a consistent set of climate change projections for the whole of Great Britain at both space and time resolutions appropriate for hydrological applications. Three hydrological models and one groundwater level model were used to derive Future Flows Hydrology, with 30 river sites simulated by two hydrological models to enable assessment of hydrological modelling uncertainty in studying the impact of climate change on the hydrology. Future Flows Hydrology contains an 11-member ensemble of transient projections from January 1951 to December 2098, each associated with a single realisation from a different variant of HadRM3 and a single hydrological model. Daily river flows are provided for 281 river catchments and monthly groundwater levels at 24 boreholes as .csv files containing all 11 ensemble members. When separate simulations are done with two hydrological models, two separate .csv files are provided. Because of potential biases in the climate-hydrology modelling chain, catchment fact sheets are associated with each ensemble. These contain information on the uncertainty associated with the hydrological modelling when driven using observed climate and Future Flows Climate for a period representative of the reference time slice 1961-1990 as described by key hydrological statistics. Graphs of projected changes for selected hydrological indicators are also provided for the 2050s time slice. Limitations associated with the dataset are provided, along with practical recommendation of use. Future Flows Hydrology is freely available for non-commercial use under certain licensing conditions. For each study site, catchment averages of daily precipitation and monthly potential evapotranspiration, used to drive the hydrological models, are made available, so that hydrological modelling uncertainty under climate change conditions can be explored further. doi:10.5285/f3723162-4fed-4d9d-92c6-dd17412fa37b

Simulation of an ensemble of future climate time series with an hourly weather generator

NASA Astrophysics Data System (ADS)

Caporali, E.; Fatichi, S.; Ivanov, V. Y.; Kim, J.

2010-12-01

There is evidence that climate change is occurring in many regions of the world. The necessity of climate change predictions at the local scale and fine temporal resolution is thus warranted for hydrological, ecological, geomorphological, and agricultural applications that can provide thematic insights into the corresponding impacts. Numerous downscaling techniques have been proposed to bridge the gap between the spatial scales adopted in General Circulation Models (GCM) and regional analyses. Nevertheless, the time and spatial resolutions obtained as well as the type of meteorological variables may not be sufficient for detailed studies of climate change effects at the local scales. In this context, this study presents a stochastic downscaling technique that makes use of an hourly weather generator to simulate time series of predicted future climate. Using a Bayesian approach, the downscaling procedure derives distributions of factors of change for several climate statistics from a multi-model ensemble of GCMs. Factors of change are sampled from their distributions using a Monte Carlo technique to entirely account for the probabilistic information obtained with the Bayesian multi-model ensemble. Factors of change are subsequently applied to the statistics derived from observations to re-evaluate the parameters of the weather generator. The weather generator can reproduce a wide set of climate variables and statistics over a range of temporal scales, from extremes, to the low-frequency inter-annual variability. The final result of such a procedure is the generation of an ensemble of hourly time series of meteorological variables that can be considered as representative of future climate, as inferred from GCMs. The generated ensemble of scenarios also accounts for the uncertainty derived from multiple GCMs used in downscaling. Applications of the procedure in reproducing present and future climates are presented for different locations world-wide: Tucson (AZ), Detroit (MI), and Firenze (Italy). The stochastic downscaling is carried out with eight GCMs from the CMIP3 multi-model dataset (IPCC 4AR, A1B scenario).

Forced and Unforced Variability of Twentieth Century North American Droughts and Pluvials

NASA Technical Reports Server (NTRS)

Cook, Benjamin I.; Cook, Edward R.; Anchukaitis, Kevin J.; Seager, Richard; Miller, Ron L.

2010-01-01

Research on the forcing of drought and pluvial events over North America is dominated by general circulation model experiments that often have operational limitations (e.g., computational expense, ability to simulate relevant processes, etc). We use a statistically based modeling approach to investigate sea surface temperature (SST) forcing of the twentieth century pluvial (1905-1917) and drought (1932-1939, 1948-1957, 1998-2002) events. A principal component (PC) analysis of Palmer Drought Severity Index (PDSI) from the North American Drought Atlas separates the drought variability into five leading modes accounting for 62% of the underlying variance. Over the full period spanning these events (1900-2005), the first three PCs significantly correlate with SSTs in the equatorial Pacific (PC 1), North Pacific (PC 2), and North Atlantic (PC 3), with spatial patterns (as defined by the empirical orthogonal functions) consistent with our understanding of North American drought responses to SST forcing. We use a large ensemble statistical modeling approach to determine how successfully we can reproduce these drought/pluvial events using these three modes of variability. Using Pacific forcing only (PCs 1-2), we are able to reproduce the 1948-1957 drought and 1905-1917 pluvial above a 95% random noise threshold in over 90% of the ensemble members; the addition of Atlantic forcing (PCs 1-2-3) provides only marginal improvement. For the 1998-2002 drought, Pacific forcing reproduces the drought above noise in over 65% of the ensemble members, with the addition of Atlantic forcing increasing the number passing to over 80%. The severity of the drought, however, is underestimated in the ensemble median, suggesting this drought intensity can only be achieved through internal variability or other processes. Pacific only forcing does a poor job of reproducing the 1932-1939 drought pattern in the ensemble median, and less than one third of ensemble members exceed the noise threshold (28%). Inclusion of Atlantic forcing improves the ensemble median drought pattern and nearly doubles the number of ensemble members passing the noise threshold (52%). Even with the inclusion of Atlantic forcing, the intensity of the simulated 1932-1939 drought is muted, and the drought itself extends too far into the southwest and southern Great Plains. To an even greater extent than the 1998-2002 drought, these results suggest much of the variance in the 1932-1939 drought is dependent on processes other than SST forcing. This study highlights the importance of internal noise and non SST processes for hydroclimatic variability over North America, complementing existing research using general circulation models.

GENESIS: a hybrid-parallel and multi-scale molecular dynamics simulator with enhanced sampling algorithms for biomolecular and cellular simulations.

PubMed

Jung, Jaewoon; Mori, Takaharu; Kobayashi, Chigusa; Matsunaga, Yasuhiro; Yoda, Takao; Feig, Michael; Sugita, Yuji

2015-07-01

GENESIS (Generalized-Ensemble Simulation System) is a new software package for molecular dynamics (MD) simulations of macromolecules. It has two MD simulators, called ATDYN and SPDYN. ATDYN is parallelized based on an atomic decomposition algorithm for the simulations of all-atom force-field models as well as coarse-grained Go-like models. SPDYN is highly parallelized based on a domain decomposition scheme, allowing large-scale MD simulations on supercomputers. Hybrid schemes combining OpenMP and MPI are used in both simulators to target modern multicore computer architectures. Key advantages of GENESIS are (1) the highly parallel performance of SPDYN for very large biological systems consisting of more than one million atoms and (2) the availability of various REMD algorithms (T-REMD, REUS, multi-dimensional REMD for both all-atom and Go-like models under the NVT, NPT, NPAT, and NPγT ensembles). The former is achieved by a combination of the midpoint cell method and the efficient three-dimensional Fast Fourier Transform algorithm, where the domain decomposition space is shared in real-space and reciprocal-space calculations. Other features in SPDYN, such as avoiding concurrent memory access, reducing communication times, and usage of parallel input/output files, also contribute to the performance. We show the REMD simulation results of a mixed (POPC/DMPC) lipid bilayer as a real application using GENESIS. GENESIS is released as free software under the GPLv2 licence and can be easily modified for the development of new algorithms and molecular models. WIREs Comput Mol Sci 2015, 5:310-323. doi: 10.1002/wcms.1220.

Influence of Aerosol Heating on the Stratospheric Transport of the Mt. Pinatubo Eruption

NASA Technical Reports Server (NTRS)

Aquila, Valentina; Oman, Luke D.; Stolarski, Richard S.

2011-01-01

On June 15th, 1991 the eruption of Mt. Pinatubo (15.1 deg. N, 120.3 Deg. E) in the Philippines injected about 20 Tg of sulfur dioxide in the stratosphere, which was transformed into sulfuric acid aerosol. The large perturbation of the background aerosol caused an increase in temperature in the lower stratosphere of 2-3 K. Even though stratospheric winds climatological]y tend to hinder the air mixing between the two hemispheres, observations have shown that a large part of the SO2 emitted by Mt. Pinatubo have been transported from the Northern to the Southern Hemisphere. We simulate the eruption of Mt. Pinatubo with the Goddard Earth Observing System (GEOS) version 5 global climate model, coupled to the aerosol module GOCART and the stratospheric chemistry module StratChem, to investigate the influence of the eruption of Mt. Pinatubo on the stratospheric transport pattern. We perform two ensembles of simulations: the first ensemble consists of runs without coupling between aerosol and radiation. In these simulations the plume of aerosols is treated as a passive tracer and the atmosphere is unperturbed. In the second ensemble of simulations aerosols and radiation are coupled. We show that the set of runs with interactive aerosol produces a larger cross-equatorial transport of the Pinatubo cloud. In our simulations the local heating perturbation caused by the sudden injection of volcanic aerosol changes the pattern of the stratospheric winds causing more intrusion of air from the Northern into the Southern Hemisphere. Furthermore, we perform simulations changing the injection height of the cloud, and study the transport of the plume resulting from the different scenarios. Comparisons of model results with SAGE II and AVHRR satellite observations will be shown.

Continental Shallow Convection Cloud-Base Mass Flux from Doppler Lidar and LASSO Ensemble Large-Eddy Simulations

NASA Astrophysics Data System (ADS)

Vogelmann, A. M.; Zhang, D.; Kollias, P.; Endo, S.; Lamer, K.; Gustafson, W. I., Jr.; Romps, D. M.

2017-12-01

Continental boundary layer clouds are important to simulations of weather and climate because of their impact on surface budgets and vertical transports of energy and moisture; however, model-parameterized boundary layer clouds do not agree well with observations in part because small-scale turbulence and convection are not properly represented. To advance parameterization development and evaluation, observational constraints are needed on critical parameters such as cloud-base mass flux and its relationship to cloud cover and the sub-cloud boundary layer structure including vertical velocity variance and skewness. In this study, these constraints are derived from Doppler lidar observations and ensemble large-eddy simulations (LES) from the U.S. Department of Energy Atmospheric Radiation Measurement (ARM) Facility Southern Great Plains (SGP) site in Oklahoma. The Doppler lidar analysis will extend the single-site, long-term analysis of Lamer and Kollias [2015] and augment this information with the short-term but unique 1-2 year period since five Doppler lidars began operation at the SGP, providing critical information on regional variability. These observations will be compared to the statistics obtained from ensemble, routine LES conducted by the LES ARM Symbiotic Simulation and Observation (LASSO) project (https://www.arm.gov/capabilities/modeling/lasso). An Observation System Simulation Experiment (OSSE) will be presented that uses the LASSO LES fields to determine criteria for which relationships from Doppler lidar observations are adequately sampled to yield convergence. Any systematic differences between the observed and simulated relationships will be examined to understand factors contributing to the differences. Lamer, K., and P. Kollias (2015), Observations of fair-weather cumuli over land: Dynamical factors controlling cloud size and cover, Geophys. Res. Lett., 42, 8693-8701, doi:10.1002/2015GL064534

Integrating remotely sensed land cover observations and a biogeochemical model for estimating forest ecosystem carbon dynamics

USGS Publications Warehouse

Liu, J.; Liu, S.; Loveland, Thomas R.; Tieszen, L.L.

2008-01-01

Land cover change is one of the key driving forces for ecosystem carbon (C) dynamics. We present an approach for using sequential remotely sensed land cover observations and a biogeochemical model to estimate contemporary and future ecosystem carbon trends. We applied the General Ensemble Biogeochemical Modelling System (GEMS) for the Laurentian Plains and Hills ecoregion in the northeastern United States for the period of 1975-2025. The land cover changes, especially forest stand-replacing events, were detected on 30 randomly located 10-km by 10-km sample blocks, and were assimilated by GEMS for biogeochemical simulations. In GEMS, each unique combination of major controlling variables (including land cover change history) forms a geo-referenced simulation unit. For a forest simulation unit, a Monte Carlo process is used to determine forest type, forest age, forest biomass, and soil C, based on the Forest Inventory and Analysis (FIA) data and the U.S. General Soil Map (STATSGO) data. Ensemble simulations are performed for each simulation unit to incorporate input data uncertainty. Results show that on average forests of the Laurentian Plains and Hills ecoregion have been sequestrating 4.2 Tg C (1 teragram = 1012 gram) per year, including 1.9 Tg C removed from the ecosystem as the consequences of land cover change. ?? 2008 Elsevier B.V.

Mesoscale Climate Evaluation Using Grid Computing

NASA Astrophysics Data System (ADS)

Campos Velho, H. F.; Freitas, S. R.; Souto, R. P.; Charao, A. S.; Ferraz, S.; Roberti, D. R.; Streck, N.; Navaux, P. O.; Maillard, N.; Collischonn, W.; Diniz, G.; Radin, B.

2012-04-01

The CLIMARS project is focused to establish an operational environment for seasonal climate prediction for the Rio Grande do Sul state, Brazil. The dynamical downscaling will be performed with the use of several software platforms and hardware infrastructure to carry out the investigation on mesoscale of the global change impact. The grid computing takes advantage of geographically spread out computer systems, connected by the internet, for enhancing the power of computation. The ensemble climate prediction is an appropriated application for processing on grid computing, because the integration of each ensemble member does not have a dependency on information from another ensemble members. The grid processing is employed to compute the 20-year climatology and the long range simulations under ensemble methodology. BRAMS (Brazilian Regional Atmospheric Model) is a mesoscale model developed from a version of the RAMS (from the Colorado State University - CSU, USA). BRAMS model is the tool for carrying out the dynamical downscaling from the IPCC scenarios. Long range BRAMS simulations will provide data for some climate (data) analysis, and supply data for numerical integration of different models: (a) Regime of the extreme events for temperature and precipitation fields: statistical analysis will be applied on the BRAMS data, (b) CCATT-BRAMS (Coupled Chemistry Aerosol Tracer Transport - BRAMS) is an environmental prediction system that will be used to evaluate if the new standards of temperature, rain regime, and wind field have a significant impact on the pollutant dispersion in the analyzed regions, (c) MGB-IPH (Portuguese acronym for the Large Basin Model (MGB), developed by the Hydraulic Research Institute, (IPH) from the Federal University of Rio Grande do Sul (UFRGS), Brazil) will be employed to simulate the alteration of the river flux under new climate patterns. Important meteorological input variables for the MGB-IPH are the precipitation (most relevant), temperature, and wind field, all provided by BRAMS. The Uruguay river basin will be analyzed in the scope of this proposal, (d) INFOCROP: this crop model has been calibrated for Southern Brazil, three agriculture cropswill be analyzed: rice, soybean and corn.

Strengthening of Ocean Heat Uptake Efficiency Associated with the Recent Climate Hiatus

NASA Technical Reports Server (NTRS)

Watanabe, Masahiro; Kamae, Youichi; Yoshimori, Masakazu; Oka, Akira; Sato, Makiko; Ishii, Masayoshi; Mochizuki, Takashi; Kimoto, Masahide

2013-01-01

The rate of increase of global-mean surface air temperature (SAT(sub g)) has apparently slowed during the last decade. We investigated the extent to which state-of-the-art general circulation models (GCMs) can capture this hiatus period by using multimodel ensembles of historical climate simulations. While the SAT(sub g) linear trend for the last decade is not captured by their ensemble means regardless of differences in model generation and external forcing, it is barely represented by an 11-member ensemble of a GCM, suggesting an internal origin of the hiatus associated with active heat uptake by the oceans. Besides, we found opposite changes in ocean heat uptake efficiency (k), weakening in models and strengthening in nature, which explain why the models tend to overestimate the SAT(sub g) trend. The weakening of k commonly found in GCMs seems to be an inevitable response of the climate system to global warming, suggesting the recovery from hiatus in coming decades.

Seeking for the rational basis of the median model: the optimal combination of multi-model ensemble results

NASA Astrophysics Data System (ADS)

Riccio, A.; Giunta, G.; Galmarini, S.

2007-04-01

In this paper we present an approach for the statistical analysis of multi-model ensemble results. The models considered here are operational long-range transport and dispersion models, also used for the real-time simulation of pollutant dispersion or the accidental release of radioactive nuclides. We first introduce the theoretical basis (with its roots sinking into the Bayes theorem) and then apply this approach to the analysis of model results obtained during the ETEX-1 exercise. We recover some interesting results, supporting the heuristic approach called "median model", originally introduced in Galmarini et al. (2004a, b). This approach also provides a way to systematically reduce (and quantify) model uncertainties, thus supporting the decision-making process and/or regulatory-purpose activities in a very effective manner.

Seeking for the rational basis of the Median Model: the optimal combination of multi-model ensemble results

NASA Astrophysics Data System (ADS)

Riccio, A.; Giunta, G.; Galmarini, S.

2007-12-01

In this paper we present an approach for the statistical analysis of multi-model ensemble results. The models considered here are operational long-range transport and dispersion models, also used for the real-time simulation of pollutant dispersion or the accidental release of radioactive nuclides. We first introduce the theoretical basis (with its roots sinking into the Bayes theorem) and then apply this approach to the analysis of model results obtained during the ETEX-1 exercise. We recover some interesting results, supporting the heuristic approach called "median model", originally introduced in Galmarini et al. (2004a, b). This approach also provides a way to systematically reduce (and quantify) model uncertainties, thus supporting the decision-making process and/or regulatory-purpose activities in a very effective manner.

Upper Limits of Predictability in Long-Range Climate/Hydrologic Forecasts

NASA Technical Reports Server (NTRS)

Koster, R. D.; Suarez, M. J.; Heiser, M.

1998-01-01

The accurate forecasting of el nino or la nina conditions in the tropical Pacific can potentially lead to valuable predictions of hydrological anomalies over land at seasonal to interannual timescales. Even with highly accurate earth system models, though, our ability to generate these continental forecasts will always be limited by the chaotic nature of the atmospheric circulation. The nature of this fundamental limitation is explored through the use of 16-member ensembles of multi-decade GCM simulations. In each simulation of the first ensemble, sea surface temperatures (SSTs) are given the same realistic interannual variations over a 45-year period, and land surface state is allowed to evolve with that of the atmosphere. Analysis of the results shows that the SSTs control the temporal organization of continental precipitation anomalies to a significant extent in the tropics and to a much smaller extent in midlatitudes. In each simulation of the second ensemble, we prescribe SSTs as before, but we also prescribe interannual variations in the low frequency component of evaporation efficiency over land. Thus, in the second ensemble, we effectively make the extreme assumption that surface boundary conditions across the globe are perfectly predictable, and we quantify the consistency with which the atmosphere (particularly precipitation) responds to these boundary conditions. The resulting "absolute upper limit" on the predictability of precipitation is found to be quite high in the tropics yet only moderate in many midlatitude regions.

The Lagrangian Ensemble metamodel for simulating plankton ecosystems

NASA Astrophysics Data System (ADS)

Woods, J. D.

2005-10-01

This paper presents a detailed account of the Lagrangian Ensemble (LE) metamodel for simulating plankton ecosystems. It uses agent-based modelling to describe the life histories of many thousands of individual plankters. The demography of each plankton population is computed from those life histories. So too is bio-optical and biochemical feedback to the environment. The resulting “virtual ecosystem” is a comprehensive simulation of the plankton ecosystem. It is based on phenotypic equations for individual micro-organisms. LE modelling differs significantly from population-based modelling. The latter uses prognostic equations to compute demography and biofeedback directly. LE modelling diagnoses them from the properties of individual micro-organisms, whose behaviour is computed from prognostic equations. That indirect approach permits the ecosystem to adjust gracefully to changes in exogenous forcing. The paper starts with theory: it defines the Lagrangian Ensemble metamodel and explains how LE code performs a number of computations “behind the curtain”. They include budgeting chemicals, and deriving biofeedback and demography from individuals. The next section describes the practice of LE modelling. It starts with designing a model that complies with the LE metamodel. Then it describes the scenario for exogenous properties that provide the computation with initial and boundary conditions. These procedures differ significantly from those used in population-based modelling. The next section shows how LE modelling is used in research, teaching and planning. The practice depends largely on hindcasting to overcome the limits to predictability of weather forecasting. The scientific method explains observable ecosystem phenomena in terms of finer-grained processes that cannot be observed, but which are controlled by the basic laws of physics, chemistry and biology. What-If? Prediction ( WIP), used for planning, extends hindcasting by adding events that describe natural or man-made hazards and remedial actions. Verification is based on the Ecological Turing Test, which takes account of uncertainties in the observed and simulated versions of a target ecological phenomenon. The rest of the paper is devoted to a case study designed to show what LE modelling offers the biological oceanographer. The case study is presented in two parts. The first documents the WB model (Woods & Barkmann, 1994) and scenario used to simulate the ecosystem in a mesocosm moored in deep water off the Azores. The second part illustrates the emergent properties of that virtual ecosystem. The behaviour and development of an individual plankton lineage are revealed by an audit trail of the agent used in the computation. The fields of environmental properties reveal the impact of biofeedback. The fields of demographic properties show how changes in individuals cumulatively affect the birth and death rates of their population. This case study documents the virtual ecosystem used by Woods, Perilli and Barkmann (2005; hereafter WPB); to investigate the stability of simulations created by the Lagrangian Ensemble metamodel. The Azores virtual ecosystem was created and analysed on the Virtual Ecology Workbench (VEW) which is described briefly in the Appendix.

Rate-equation modelling and ensemble approach to extraction of parameters for viral infection-induced cell apoptosis and necrosis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Domanskyi, Sergii; Schilling, Joshua E.; Privman, Vladimir, E-mail: privman@clarkson.edu

We develop a theoretical approach that uses physiochemical kinetics modelling to describe cell population dynamics upon progression of viral infection in cell culture, which results in cell apoptosis (programmed cell death) and necrosis (direct cell death). Several model parameters necessary for computer simulation were determined by reviewing and analyzing available published experimental data. By comparing experimental data to computer modelling results, we identify the parameters that are the most sensitive to the measured system properties and allow for the best data fitting. Our model allows extraction of parameters from experimental data and also has predictive power. Using the model wemore » describe interesting time-dependent quantities that were not directly measured in the experiment and identify correlations among the fitted parameter values. Numerical simulation of viral infection progression is done by a rate-equation approach resulting in a system of “stiff” equations, which are solved by using a novel variant of the stochastic ensemble modelling approach. The latter was originally developed for coupled chemical reactions.« less

On the Value of Climate Elasticity Indices to Assess the Impact of Climate Change on Streamflow Projection using an ensemble of bias corrected CMIP5 dataset

NASA Astrophysics Data System (ADS)

Demirel, Mehmet; Moradkhani, Hamid

2015-04-01

Changes in two climate elasticity indices, i.e. temperature and precipitation elasticity of streamflow, were investigated using an ensemble of bias corrected CMIP5 dataset as forcing to two hydrologic models. The Variable Infiltration Capacity (VIC) and the Sacramento Soil Moisture Accounting (SAC-SMA) hydrologic models, were calibrated at 1/16 degree resolution and the simulated streamflow was routed to the basin outlet of interest. We estimated precipitation and temperature elasticity of streamflow from: (1) observed streamflow; (2) simulated streamflow by VIC and SAC-SMA models using observed climate for the current climate (1963-2003); (3) simulated streamflow using simulated climate from 10 GCM - CMIP5 dataset for the future climate (2010-2099) including two concentration pathways (RCP4.5 and RCP8.5) and two downscaled climate products (BCSD and MACA). The streamflow sensitivity to long-term (e.g., 30-year) average annual changes in temperature and precipitation is estimated for three periods i.e. 2010-40, 2040-70 and 2070-99. We compared the results of the three cases to reflect on the value of precipitation and temperature indices to assess the climate change impacts on Columbia River streamflow. Moreover, these three cases for two models are used to assess the effects of different uncertainty sources (model forcing, model structure and different pathways) on the two climate elasticity indices.

Do quantitative decadal forecasts from GCMs provide decision relevant skill?

NASA Astrophysics Data System (ADS)

Suckling, E. B.; Smith, L. A.

2012-04-01

It is widely held that only physics-based simulation models can capture the dynamics required to provide decision-relevant probabilistic climate predictions. This fact in itself provides no evidence that predictions from today's GCMs are fit for purpose. Empirical (data-based) models are employed to make probability forecasts on decadal timescales, where it is argued that these 'physics free' forecasts provide a quantitative 'zero skill' target for the evaluation of forecasts based on more complicated models. It is demonstrated that these zero skill models are competitive with GCMs on decadal scales for probability forecasts evaluated over the last 50 years. Complications of statistical interpretation due to the 'hindcast' nature of this experiment, and the likely relevance of arguments that the lack of hindcast skill is irrelevant as the signal will soon 'come out of the noise' are discussed. A lack of decision relevant quantiative skill does not bring the science-based insights of anthropogenic warming into doubt, but it does call for a clear quantification of limits, as a function of lead time, for spatial and temporal scales on which decisions based on such model output are expected to prove maladaptive. Failing to do so may risk the credibility of science in support of policy in the long term. The performance amongst a collection of simulation models is evaluated, having transformed ensembles of point forecasts into probability distributions through the kernel dressing procedure [1], according to a selection of proper skill scores [2] and contrasted with purely data-based empirical models. Data-based models are unlikely to yield realistic forecasts for future climate change if the Earth system moves away from the conditions observed in the past, upon which the models are constructed; in this sense the empirical model defines zero skill. When should a decision relevant simulation model be expected to significantly outperform such empirical models? Probability forecasts up to ten years ahead (decadal forecasts) are considered, both on global and regional spatial scales for surface air temperature. Such decadal forecasts are not only important in terms of providing information on the impacts of near-term climate change, but also from the perspective of climate model validation, as hindcast experiments and a sufficient database of historical observations allow standard forecast verification methods to be used. Simulation models from the ENSEMBLES hindcast experiment [3] are evaluated and contrasted with static forecasts of the observed climatology, persistence forecasts and against simple statistical models, called dynamic climatology (DC). It is argued that DC is a more apropriate benchmark in the case of a non-stationary climate. It is found that the ENSEMBLES models do not demonstrate a significant increase in skill relative to the empirical models even at global scales over any lead time up to a decade ahead. It is suggested that the contsruction and co-evaluation with the data-based models become a regular component of the reporting of large simulation model forecasts. The methodology presented may easily be adapted to other forecasting experiments and is expected to influence the design of future experiments. The inclusion of comparisons with dynamic climatology and other data-based approaches provide important information to both scientists and decision makers on which aspects of state-of-the-art simulation forecasts are likely to be fit for purpose. [1] J. Bröcker and L. A. Smith. From ensemble forecasts to predictive distributions, Tellus A, 60(4), 663-678 (2007). [2] J. Bröcker and L. A. Smith. Scoring probabilistic forecasts: The importance of being proper, Weather and Forecasting, 22, 382-388 (2006). [3] F. J. Doblas-Reyes, A. Weisheimer, T. N. Palmer, J. M. Murphy and D. Smith. Forecast quality asessment of the ENSEMBLES seasonal-to-decadal stream 2 hindcasts, ECMWF Technical Memorandum, 621 (2010).

Effect of the explicit flexibility of the InhA enzyme from Mycobacterium tuberculosis in molecular docking simulations.

PubMed

Cohen, Elisangela M L; Machado, Karina S; Cohen, Marcelo; de Souza, Osmar Norberto

2011-12-22

Protein/receptor explicit flexibility has recently become an important feature of molecular docking simulations. Taking the flexibility into account brings the docking simulation closer to the receptors' real behaviour in its natural environment. Several approaches have been developed to address this problem. Among them, modelling the full flexibility as an ensemble of snapshots derived from a molecular dynamics simulation (MD) of the receptor has proved very promising. Despite its potential, however, only a few studies have employed this method to probe its effect in molecular docking simulations. We hereby use ensembles of snapshots obtained from three different MD simulations of the InhA enzyme from M. tuberculosis (Mtb), the wild-type (InhA_wt), InhA_I16T, and InhA_I21V mutants to model their explicit flexibility, and to systematically explore their effect in docking simulations with three different InhA inhibitors, namely, ethionamide (ETH), triclosan (TCL), and pentacyano(isoniazid)ferrate(II) (PIF). The use of fully-flexible receptor (FFR) models of InhA_wt, InhA_I16T, and InhA_I21V mutants in docking simulation with the inhibitors ETH, TCL, and PIF revealed significant differences in the way they interact as compared to the rigid, InhA crystal structure (PDB ID: 1ENY). In the latter, only up to five receptor residues interact with the three different ligands. Conversely, in the FFR models this number grows up to an astonishing 80 different residues. The comparison between the rigid crystal structure and the FFR models showed that the inclusion of explicit flexibility, despite the limitations of the FFR models employed in this study, accounts in a substantial manner to the induced fit expected when a protein/receptor and ligand approach each other to interact in the most favourable manner. Protein/receptor explicit flexibility, or FFR models, represented as an ensemble of MD simulation snapshots, can lead to a more realistic representation of the induced fit effect expected in the encounter and proper docking of receptors to ligands. The FFR models of InhA explicitly characterizes the overall movements of the amino acid residues in helices, strands, loops, and turns, allowing the ligand to properly accommodate itself in the receptor's binding site. Utilization of the intrinsic flexibility of Mtb's InhA enzyme and its mutants in virtual screening via molecular docking simulation may provide a novel platform to guide the rational or dynamical-structure-based drug design of novel inhibitors for Mtb's InhA. We have produced a short video sequence of each ligand (ETH, TCL and PIF) docked to the FFR models of InhA_wt. These videos are available at http://www.inf.pucrs.br/~osmarns/LABIO/Videos_Cohen_et_al_19_07_2011.htm.

Impact of internal variability on projections of Sahel precipitation change

NASA Astrophysics Data System (ADS)

Monerie, Paul-Arthur; Sanchez-Gomez, Emilia; Pohl, Benjamin; Robson, Jon; Dong, Buwen

2017-11-01

The impact of the increase of greenhouse gases on Sahelian precipitation is very uncertain in both its spatial pattern and magnitude. In particular, the relative importance of internal variability versus external forcings depends on the time horizon considered in the climate projection. In this study we address the respective roles of the internal climate variability versus external forcings on Sahelian precipitation by using the data from the CESM Large Ensemble Project, which consists of a 40 member ensemble performed with the CESM1-CAM5 coupled model for the period 1920-2100. We show that CESM1-CAM5 is able to simulate the mean and interannual variability of Sahel precipitation, and is representative of a CMIP5 ensemble of simulations (i.e. it simulates the same pattern of precipitation change along with equivalent magnitude and seasonal cycle changes as the CMIP5 ensemble mean). However, CESM1-CAM5 underestimates the long-term decadal variability in Sahel precipitation. For short-term (2010-2049) and mid-term (2030-2069) projections the simulated internal variability component is able to obscure the projected impact of the external forcing. For long-term (2060-2099) projections external forcing induced change becomes stronger than simulated internal variability. Precipitation changes are found to be more robust over the central Sahel than over the western Sahel, where climate change effects struggle to emerge. Ten (thirty) members are needed to separate the 10 year averaged forced response from climate internal variability response in the western Sahel for a long-term (short-term) horizon. Over the central Sahel two members (ten members) are needed for a long-term (short-term) horizon.

Enhancing pairwise state-transition weights: A new weighting scheme in simulated tempering that can minimize transition time between a pair of conformational states

NASA Astrophysics Data System (ADS)

Qiao, Qin; Zhang, Hou-Dao; Huang, Xuhui

2016-04-01

Simulated tempering (ST) is a widely used enhancing sampling method for Molecular Dynamics simulations. As one expanded ensemble method, ST is a combination of canonical ensembles at different temperatures and the acceptance probability of cross-temperature transitions is determined by both the temperature difference and the weights of each temperature. One popular way to obtain the weights is to adopt the free energy of each canonical ensemble, which achieves uniform sampling among temperature space. However, this uniform distribution in temperature space may not be optimal since high temperatures do not always speed up the conformational transitions of interest, as anti-Arrhenius kinetics are prevalent in protein and RNA folding. Here, we propose a new method: Enhancing Pairwise State-transition Weights (EPSW), to obtain the optimal weights by minimizing the round-trip time for transitions among different metastable states at the temperature of interest in ST. The novelty of the EPSW algorithm lies in explicitly considering the kinetics of conformation transitions when optimizing the weights of different temperatures. We further demonstrate the power of EPSW in three different systems: a simple two-temperature model, a two-dimensional model for protein folding with anti-Arrhenius kinetics, and the alanine dipeptide. The results from these three systems showed that the new algorithm can substantially accelerate the transitions between conformational states of interest in the ST expanded ensemble and further facilitate the convergence of thermodynamics compared to the widely used free energy weights. We anticipate that this algorithm is particularly useful for studying functional conformational changes of biological systems where the initial and final states are often known from structural biology experiments.

Enhancing pairwise state-transition weights: A new weighting scheme in simulated tempering that can minimize transition time between a pair of conformational states

DOE Office of Scientific and Technical Information (OSTI.GOV)

Qiao, Qin, E-mail: qqiao@ust.hk; Zhang, Hou-Dao; Huang, Xuhui, E-mail: xuhuihuang@ust.hk

2016-04-21

Simulated tempering (ST) is a widely used enhancing sampling method for Molecular Dynamics simulations. As one expanded ensemble method, ST is a combination of canonical ensembles at different temperatures and the acceptance probability of cross-temperature transitions is determined by both the temperature difference and the weights of each temperature. One popular way to obtain the weights is to adopt the free energy of each canonical ensemble, which achieves uniform sampling among temperature space. However, this uniform distribution in temperature space may not be optimal since high temperatures do not always speed up the conformational transitions of interest, as anti-Arrhenius kineticsmore » are prevalent in protein and RNA folding. Here, we propose a new method: Enhancing Pairwise State-transition Weights (EPSW), to obtain the optimal weights by minimizing the round-trip time for transitions among different metastable states at the temperature of interest in ST. The novelty of the EPSW algorithm lies in explicitly considering the kinetics of conformation transitions when optimizing the weights of different temperatures. We further demonstrate the power of EPSW in three different systems: a simple two-temperature model, a two-dimensional model for protein folding with anti-Arrhenius kinetics, and the alanine dipeptide. The results from these three systems showed that the new algorithm can substantially accelerate the transitions between conformational states of interest in the ST expanded ensemble and further facilitate the convergence of thermodynamics compared to the widely used free energy weights. We anticipate that this algorithm is particularly useful for studying functional conformational changes of biological systems where the initial and final states are often known from structural biology experiments.« less

The prediction of surface temperature in the new seasonal prediction system based on the MPI-ESM coupled climate model

NASA Astrophysics Data System (ADS)

Baehr, J.; Fröhlich, K.; Botzet, M.; Domeisen, D. I. V.; Kornblueh, L.; Notz, D.; Piontek, R.; Pohlmann, H.; Tietsche, S.; Müller, W. A.

2015-05-01

A seasonal forecast system is presented, based on the global coupled climate model MPI-ESM as used for CMIP5 simulations. We describe the initialisation of the system and analyse its predictive skill for surface temperature. The presented system is initialised in the atmospheric, oceanic, and sea ice component of the model from reanalysis/observations with full field nudging in all three components. For the initialisation of the ensemble, bred vectors with a vertically varying norm are implemented in the ocean component to generate initial perturbations. In a set of ensemble hindcast simulations, starting each May and November between 1982 and 2010, we analyse the predictive skill. Bias-corrected ensemble forecasts for each start date reproduce the observed surface temperature anomalies at 2-4 months lead time, particularly in the tropics. Niño3.4 sea surface temperature anomalies show a small root-mean-square error and predictive skill up to 6 months. Away from the tropics, predictive skill is mostly limited to the ocean, and to regions which are strongly influenced by ENSO teleconnections. In summary, the presented seasonal prediction system based on a coupled climate model shows predictive skill for surface temperature at seasonal time scales comparable to other seasonal prediction systems using different underlying models and initialisation strategies. As the same model underlying our seasonal prediction system—with a different initialisation—is presently also used for decadal predictions, this is an important step towards seamless seasonal-to-decadal climate predictions.

Building the ensemble flood prediction system by using numerical weather prediction data: Case study in Kinu river basin, Japan

NASA Astrophysics Data System (ADS)

Ishitsuka, Y.; Yoshimura, K.

2016-12-01

Floods have a potential to be a major source of economic or human damage caused by natural disasters. Flood prediction systems were developed all over the world and to treat the uncertainty of the prediction ensemble simulation is commonly adopted. In this study, ensemble flood prediction system using global scale land surface and hydrodynamic model was developed. The system requests surface atmospheric forcing and Land Surface Model, MATSIRO, calculates runoff. Those generated runoff is inputted to hydrodynamic model CaMa-Flood to calculate discharge and flood inundation. CaMa-Flood can simulate flood area and its fraction by introducing floodplain connected to river channel. Forecast leadtime was set 39hours according to forcing data. For the case study, the flood occurred at Kinu river basin, Japan in 2015 was hindcasted. In a 1761 km² Kinu river basin, 3-days accumulated average rainfall was 384mm and over 4000 people was left in the inundated area. Available ensemble numerical weather prediction data at that time was inputted to the system in a resolution of 0.05 degrees and 1hour time step. As a result, the system predicted the flood occurrence by 45% and 84% at 23 and 11 hours before the water level exceeded the evacuation threshold, respectively. Those prediction lead time may provide the chance for early preparation for the floods such as levee reinforcement or evacuation. Adding to the discharge, flood area predictability was also analyzed. Although those models were applied for Japan region, this system can be applied easily to other region or even global scale. The areal flood prediction in meso to global scale would be useful for detecting hot zones or vulnerable areas over each region.

Weighted Ensemble Simulation: Review of Methodology, Applications, and Software

PubMed Central

Zuckerman, Daniel M.; Chong, Lillian T.

2018-01-01

The weighted ensemble (WE) methodology orchestrates quasi-independent parallel simulations run with intermittent communication that can enhance sampling of rare events such as protein conformational changes, folding, and binding. The WE strategy can achieve superlinear scaling—the unbiased estimation of key observables such as rate constants and equilibrium state populations to greater precision than would be possible with ordinary parallel simulation. WE software can be used to control any dynamics engine, such as standard molecular dynamics and cell-modeling packages. This article reviews the theoretical basis of WE and goes on to describe successful applications to a number of complex biological processes—protein conformational transitions, (un)binding, and assembly processes, as well as cell-scale processes in systems biology. We furthermore discuss the challenges that need to be overcome in the next phase of WE methodological development. Overall, the combined advances in WE methodology and software have enabled the simulation of long-timescale processes that would otherwise not be practical on typical computing resources using standard simulation. PMID:28301772

Weighted Ensemble Simulation: Review of Methodology, Applications, and Software.

PubMed

Zuckerman, Daniel M; Chong, Lillian T

2017-05-22

The weighted ensemble (WE) methodology orchestrates quasi-independent parallel simulations run with intermittent communication that can enhance sampling of rare events such as protein conformational changes, folding, and binding. The WE strategy can achieve superlinear scaling-the unbiased estimation of key observables such as rate constants and equilibrium state populations to greater precision than would be possible with ordinary parallel simulation. WE software can be used to control any dynamics engine, such as standard molecular dynamics and cell-modeling packages. This article reviews the theoretical basis of WE and goes on to describe successful applications to a number of complex biological processes-protein conformational transitions, (un)binding, and assembly processes, as well as cell-scale processes in systems biology. We furthermore discuss the challenges that need to be overcome in the next phase of WE methodological development. Overall, the combined advances in WE methodology and software have enabled the simulation of long-timescale processes that would otherwise not be practical on typical computing resources using standard simulation.

Evaluation of local adaptation strategies to climate change of maize crop in Andalusia for the first half of 21st century

NASA Astrophysics Data System (ADS)

Gabaldón, Clara; Lorite, Ignacio J.; Inés Mínguez, M.; Dosio, Alessandro; Sánchez-Sánchez, Enrique; Ruiz-Ramos, Margarita

2013-04-01

The objective of this work is to generate and analyse adaptation strategies to cope with impacts of climate change on cereal cropping systems in Andalusia (Southern Spain) in a semi-arid environment, with focus on extreme events. In Andalusia, located in the South of the Iberian Peninsula, cereals crops may be affected by the increase in average temperatures, the precipitation variability and the possible extreme events. Those impacts may cause a decrease in both water availability and the pollination rate resulting on a decrease in yield and the farmer's profitability. Designing local and regional adaptation strategies to reduce these negative impacts is necessary. This study is focused on irrigated maize on five Andalusia locations. The Andalusia Network of Agricultural Trials (RAEA in Spanish) provided the experimental crop and soil data, and the observed climate data were obtained from the Agroclimatic Information Network of Andalusia and the Spanish National Meteorological Agency (AEMET in Spanish). The data for future climate scenarios (2013-2050) were generated by Dosio and Paruolo (2011) and Dosio et al. (2012), who corrected the bias of ENSEMBLES data for maximum and minimum temperatures and precipitation. ENSEMBLES data were the results of numerical simulations obtained from a group of regional climate models at high resolution (25 km) from the European Project ENSEMBLES (http://www.ensembles-eu.org/). Crop models considered were CERES-maize (Jones and Kiniry, 1986) under DSSAT platform, and CropSyst (Stockle et al., 2003). Those crop models were applied only on locations were calibration and validation were done. The effects of the adaptations strategies, such as changes in sowing dates or choice of cultivar, were evaluated regarding water consumption; changes in phenological dates were also analysed to compare with occurrence of extreme events of maximum temperature. These events represent a threat on summer crops due to the reduction on the duration of grain filling period with the consequent reduction in yield (Ruiz-Ramos et al., 2011) and with the supraoptimal temperatures in pollination. Finally, results of simulated impacts and adaptations were compared to previous studies done without bias correction of climatic projections, at low resolution and with previous versions of crop models (Mínguez et al., 2007). This study will contribute to MACSUR knowledge Hub within the Joint Programming Initiative on Agriculture, Food Security and Climate Change (FACCE - JPI) of EU and is financed by MULCLIVAR project (CGL2012-38923-C02-02) and IFAPA project AGR6126 from Junta de Andalucía, Spain. References Dosio A. and Paruolo P., 2011. Bias correction of the ENSEMBLES high-resolution climate change projections for use by impact models: Evaluation on the present climate. Journal of Geophysical Research, VOL. 116, D16106, doi:10.1029/2011JD015934 Dosio A., Paruolo P. and Rojas R., 2012. Bias correction of the ENSEMBLES high resolution climate change projections for use by impact models: Analysis of the climate change signal. Journal of Geophysical Research, Volume 117, D17, doi: 0.1029/2012JD017968 Jones, C.A., and J.R. Kiniry. 1986. CERES-Maize: A simulation model of maize growth and development. Texas A&M Univ. Press, College Station. Mínguez, M.I., M. Ruiz-ramos, C.H. Díaz-Ambrona, and M. Quemada. 2007. First-order impacts on winter and summer crops assessed with various high-resolution climate models in the Iberian Peninsula. Climatic Change 81: 343-355. Ruiz-Ramos, M., E. Sanchez, C. Galllardo, and M.I. Minguez. 2011. Impacts of projected maximum temperature extremes for C21 by an ensemble of regional climate models on cereal cropping systems in the Iberian Peninsula. Natural Hazards and Earth System Science 11: 3275-3291. Stockle, C.O., M. Donatelli, and R. Nelson. 2003. CropSyst , a cropping systems simulation model. European Journal of Agronomy18: 289-307.

Impact of inherent meteorology uncertainty on air quality ...

EPA Pesticide Factsheets

It is well established that there are a number of different classifications and sources of uncertainties in environmental modeling systems. Air quality models rely on two key inputs, namely, meteorology and emissions. When using air quality models for decision making, it is important to understand how uncertainties in these inputs affect the simulated concentrations. Ensembles are one method to explore how uncertainty in meteorology affects air pollution concentrations. Most studies explore this uncertainty by running different meteorological models or the same model with different physics options and in some cases combinations of different meteorological and air quality models. While these have been shown to be useful techniques in some cases, we present a technique that leverages the initial condition perturbations of a weather forecast ensemble, namely, the Short-Range Ensemble Forecast system to drive the four-dimensional data assimilation in the Weather Research and Forecasting (WRF)-Community Multiscale Air Quality (CMAQ) model with a key focus being the response of ozone chemistry and transport. Results confirm that a sizable spread in WRF solutions, including common weather variables of temperature, wind, boundary layer depth, clouds, and radiation, can cause a relatively large range of ozone-mixing ratios. Pollutant transport can be altered by hundreds of kilometers over several days. Ozone-mixing ratios of the ensemble can vary as much as 10–20 ppb

Annular mode changes in the CMIP5 simulations

NASA Astrophysics Data System (ADS)

Gillett, N. P.; Fyfe, J. C.

2013-03-01

We investigate simulated changes in the annular modes in historical and RCP 4.5 scenario simulations of 37 models from the fifth Coupled Model Intercomparison Project (CMIP5), a much larger ensemble of models than has previously been used to investigate annular mode trends, with improved resolution and forcings. The CMIP5 models on average simulate increases in the Northern Annular Mode (NAM) and Southern Annular Mode (SAM) in every season by 2100, and no CMIP5 model simulates a significant decrease in either the NAM or SAM in any season. No significant increase in the NAM or North Atlantic Oscillation (NAO) is simulated in response to volcanic aerosol, and no significant NAM or NAO response to solar irradiance variations is simulated. The CMIP5 models simulate a significant negative SAM response to volcanic aerosol in MAM and JJA, and a significant positive SAM response to solar irradiance variations in MAM, JJA and DJF.

Force estimation from ensembles of Golgi tendon organs

NASA Astrophysics Data System (ADS)

Mileusnic, M. P.; Loeb, G. E.

2009-06-01

Golgi tendon organs (GTOs) located in the skeletal muscles provide the central nervous system with information about muscle tension. The ensemble firing of all GTO receptors in the muscle has been hypothesized to represent a reliable measure of the whole muscle force but the precision and accuracy of that information are largely unknown because it is impossible to record activity simultaneously from all GTOs in a muscle. In this study, we combined a new mathematical model of force sampling and transduction in individual GTOs with various models of motor unit (MU) organization and recruitment simulating various normal, pathological and neural prosthetic conditions. Our study suggests that in the intact muscle the ensemble GTO activity accurately encodes force information according to a nonlinear, monotonic relationship that has its steepest slope for low force levels and tends to saturate at the highest force levels. The relationship between the aggregate GTO activity and whole muscle tension under some pathological conditions is similar to one seen in the intact muscle during rapidly modulated, phasic excitation of the motor pool (typical for many natural movements) but quite different when the muscle is activated slowly or held at a given force level. Substantial deviations were also observed during simulated functional electrical stimulation.

On the Influence of North Pacific Sea Surface Temperature on the Arctic Winter Climate

NASA Technical Reports Server (NTRS)

Hurwitz, Margaret M.; Newman, P. A.; Garfinkel, C. I.

2012-01-01

Differences between two ensembles of Goddard Earth Observing System Chemistry-Climate Model simulations isolate the impact of North Pacific sea surface temperatures (SSTs) on the Arctic winter climate. One ensemble of extended winter season forecasts is forced by unusually high SSTs in the North Pacific, while in the second ensemble SSTs in the North Pacific are unusually low. High Low differences are consistent with a weakened Western Pacific atmospheric teleconnection pattern, and in particular, a weakening of the Aleutian low. This relative change in tropospheric circulation inhibits planetary wave propagation into the stratosphere, in turn reducing polar stratospheric temperature in mid- and late winter. The number of winters with sudden stratospheric warmings is approximately tripled in the Low ensemble as compared with the High ensemble. Enhanced North Pacific SSTs, and thus a more stable and persistent Arctic vortex, lead to a relative decrease in lower stratospheric ozone in late winter, affecting the April clear-sky UV index at Northern Hemisphere mid-latitudes.

Current and Future Decadal Trends in the Oceanic Carbon Uptake Are Dominated by Internal Variability

NASA Astrophysics Data System (ADS)

Li, Hongmei; Ilyina, Tatiana

2018-01-01

We investigate the internal decadal variability of the ocean carbon uptake using 100 ensemble simulations based on the Max Planck Institute Earth system model (MPI-ESM). We find that on decadal time scales, internal variability (ensemble spread) is as large as the forced temporal variability (ensemble mean), and the largest internal variability is found in major carbon sink regions, that is, the 50-65°S band of the Southern Ocean, the North Pacific, and the North Atlantic. The MPI-ESM ensemble produces both positive and negative 10 year trends in the ocean carbon uptake in agreement with observational estimates. Negative decadal trends are projected to occur in the future under RCP4.5 scenario. Due to the large internal variability, the Southern Ocean and the North Pacific require the most ensemble members (more than 53 and 46, respectively) to reproduce the forced decadal trends. This number increases up to 79 in future decades as CO2 emission trajectory changes.

Time-varying changes in the simulated structure of the Brewer-Dobson Circulation

NASA Astrophysics Data System (ADS)

Garfinkel, Chaim I.; Aquila, Valentina; Waugh, Darryn W.; Oman, Luke D.

2017-01-01

A series of simulations using the NASA Goddard Earth Observing System Chemistry Climate Model are analyzed in order to assess changes in the Brewer-Dobson Circulation (BDC) over the past 55 years. When trends are computed over the past 55 years, the BDC accelerates throughout the stratosphere, consistent with previous modeling results. However, over the second half of the simulations (i.e., since the late 1980s), the model simulates structural changes in the BDC as the temporal evolution of the BDC varies between regions in the stratosphere. In the mid-stratosphere in the midlatitude Northern Hemisphere, the BDC does not accelerate in the ensemble mean of our simulations despite increases in greenhouse gas concentrations and warming sea surface temperatures, and it even decelerates in one ensemble member. This deceleration is reminiscent of changes inferred from satellite instruments and in situ measurements. In contrast, the BDC in the lower stratosphere continues to accelerate. The main forcing agents for the recent slowdown in the mid-stratosphere appear to be declining ozone-depleting substance (ODS) concentrations and the timing of volcanic eruptions. Changes in both mean age of air and the tropical upwelling of the residual circulation indicate a lack of recent acceleration. We therefore clarify that the statement that is often made that climate models simulate a decreasing age throughout the stratosphere only applies over long time periods and is not necessarily the case for the past 25 years, when most tracer measurements were taken.

Time-Varying Changes in the Simulated Structure of the Brewer-Dobson Circulation

NASA Technical Reports Server (NTRS)

Garfinkel, Chaim I.; Aquila, Valentina; Waugh, Darryn W.; Oman, Luke D.

2017-01-01

A series of simulations using the NASA Goddard Earth Observing System Chemistry Climate Model are analyzed in order to assess changes in the Brewer-Dobson Circulation (BDC) over the past 55 years. When trends are computed over the past 55 years, the BDC accelerates throughout the stratosphere, consistent with previous modeling results. However, over the second half of the simulations (i.e., since the late 1980s), the model simulates structural changes in the BDC as the temporal evolution of the BDC varies between regions in the stratosphere. In the mid-stratosphere in the midlatitude Northern Hemisphere, the BDC does not accelerate in the ensemble mean of our simulations despite increases in greenhouse gas concentrations and warming sea surface temperatures, and it even decelerates in one ensemble member. This deceleration is reminiscent of changes inferred from satellite instruments and in situ measurements. In contrast, the BDC in the lower stratosphere continues to accelerate. The main forcing agents for the recent slowdown in the mid-stratosphere appear to be declining ozone-depleting substance (ODS) concentrations and the timing of volcanic eruptions. Changes in both mean age of air and the tropical upwelling of the residual circulation indicate a lack of recent acceleration. We therefore clarify that the statement that is often made that climate models simulate a decreasing age throughout the stratosphere only applies over long time periods and is not necessarily the case for the past 25 years, when most tracer measurements were taken.

Modeling AFM-induced PEVK extension and the reversible unfolding of Ig/FNIII domains in single and multiple titin molecules.

PubMed Central

Zhang, B; Evans, J S

2001-01-01

Molecular elasticity is associated with a select number of polypeptides and proteins, such as titin, Lustrin A, silk fibroin, and spider silk dragline protein. In the case of titin, the globular (Ig) and non-globular (PEVK) regions act as extensible springs under stretch; however, their unfolding behavior and force extension characteristics are different. Using our time-dependent macroscopic method for simulating AFM-induced titin Ig domain unfolding and refolding, we simulate the extension and relaxation of hypothetical titin chains containing Ig domains and a PEVK region. Two different models are explored: 1) a series-linked WLC expression that treats the PEVK region as a distinct entropic spring, and 2) a summation of N single WLC expressions that simulates the extension and release of a discrete number of parallel titin chains containing constant or variable amounts of PEVK. In addition to these simulations, we also modeled the extension of a hypothetical PEVK domain using a linear Hooke's spring model to account for "enthalpic" contributions to PEVK elasticity. We find that the modified WLC simulations feature chain length compensation, Ig domain unfolding/refolding, and force-extension behavior that more closely approximate AFM, laser tweezer, and immunolocalization experimental data. In addition, our simulations reveal the following: 1) PEVK extension overlaps with the onset of Ig domain unfolding, and 2) variations in PEVK content within a titin chain ensemble lead to elastic diversity within that ensemble. PMID:11159428

Assimilation of water temperature and discharge data for ensemble water temperature forecasting

NASA Astrophysics Data System (ADS)

Ouellet-Proulx, Sébastien; Chimi Chiadjeu, Olivier; Boucher, Marie-Amélie; St-Hilaire, André

2017-11-01

Recent work demonstrated the value of water temperature forecasts to improve water resources allocation and highlighted the importance of quantifying their uncertainty adequately. In this study, we perform a multisite cascading ensemble assimilation of discharge and water temperature on the Nechako River (Canada) using particle filters. Hydrological and thermal initial conditions were provided to a rainfall-runoff model, coupled to a thermal module, using ensemble meteorological forecasts as inputs to produce 5 day ensemble thermal forecasts. Results show good performances of the particle filters with improvements of the accuracy of initial conditions by more than 65% compared to simulations without data assimilation for both the hydrological and the thermal component. All thermal forecasts returned continuous ranked probability scores under 0.8 °C when using a set of 40 initial conditions and meteorological forecasts comprising 20 members. A greater contribution of the initial conditions to the total uncertainty of the system for 1-dayforecasts is observed (mean ensemble spread = 1.1 °C) compared to meteorological forcings (mean ensemble spread = 0.6 °C). The inclusion of meteorological uncertainty is critical to maintain reliable forecasts and proper ensemble spread for lead times of 2 days and more. This work demonstrates the ability of the particle filters to properly update the initial conditions of a coupled hydrological and thermal model and offers insights regarding the contribution of two major sources of uncertainty to the overall uncertainty in thermal forecasts.

Spectra of Adjacency Matrices in Networks of Extreme Introverts and Extroverts

NASA Astrophysics Data System (ADS)

Bassler, Kevin E.; Ezzatabadipour, Mohammadmehdi; Zia, R. K. P.

Many interesting properties were discovered in recent studies of preferred degree networks, suitable for describing social behavior of individuals who tend to prefer a certain number of contacts. In an extreme version (coined the XIE model), introverts always cut links while extroverts always add them. While the intra-group links are static, the cross-links are dynamic and lead to an ensemble of bipartite graphs, with extraordinary correlations between elements of the incidence matrix: nij In the steady state, this system can be regarded as one in thermal equilibrium with long-ranged interactions between the nij's, and displays an extreme Thouless effect. Here, we report simulation studies of a different perspective of networks, namely, the spectra associated with this ensemble of adjacency matrices {aij } . As a baseline, we first consider the spectra associated with a simple random (Erdős-Rényi) ensemble of bipartite graphs, where simulation results can be understood analytically. Work supported by the NSF through Grant DMR-1507371.

A Sidekick for Membrane Simulations: Automated Ensemble Molecular Dynamics Simulations of Transmembrane Helices

PubMed Central

Hall, Benjamin A; Halim, Khairul Abd; Buyan, Amanda; Emmanouil, Beatrice; Sansom, Mark S P

2016-01-01

The interactions of transmembrane (TM) α-helices with the phospholipid membrane and with one another are central to understanding the structure and stability of integral membrane proteins. These interactions may be analysed via coarse-grained molecular dynamics (CGMD) simulations. To obtain statistically meaningful analysis of TM helix interactions, large (N ca. 100) ensembles of CGMD simulations are needed. To facilitate the running and analysis of such ensembles of simulations we have developed Sidekick, an automated pipeline software for performing high throughput CGMD simulations of α-helical peptides in lipid bilayer membranes. Through an end-to-end approach, which takes as input a helix sequence and outputs analytical metrics derived from CGMD simulations, we are able to predict the orientation and likelihood of insertion into a lipid bilayer of a given helix of family of helix sequences. We illustrate this software via analysis of insertion into a membrane of short hydrophobic TM helices containing a single cationic arginine residue positioned at different positions along the length of the helix. From analysis of these ensembles of simulations we estimate apparent energy barriers to insertion which are comparable to experimentally determined values. In a second application we use CGMD simulations to examine self-assembly of dimers of TM helices from the ErbB1 receptor tyrosine kinase, and analyse the numbers of simulation repeats necessary to obtain convergence of simple descriptors of the mode of packing of the two helices within a dimer. Our approach offers proof-of-principle platform for the further employment of automation in large ensemble CGMD simulations of membrane proteins. PMID:26580541

Sidekick for Membrane Simulations: Automated Ensemble Molecular Dynamics Simulations of Transmembrane Helices.

PubMed

Hall, Benjamin A; Halim, Khairul Bariyyah Abd; Buyan, Amanda; Emmanouil, Beatrice; Sansom, Mark S P

2014-05-13

The interactions of transmembrane (TM) α-helices with the phospholipid membrane and with one another are central to understanding the structure and stability of integral membrane proteins. These interactions may be analyzed via coarse grained molecular dynamics (CGMD) simulations. To obtain statistically meaningful analysis of TM helix interactions, large (N ca. 100) ensembles of CGMD simulations are needed. To facilitate the running and analysis of such ensembles of simulations, we have developed Sidekick, an automated pipeline software for performing high throughput CGMD simulations of α-helical peptides in lipid bilayer membranes. Through an end-to-end approach, which takes as input a helix sequence and outputs analytical metrics derived from CGMD simulations, we are able to predict the orientation and likelihood of insertion into a lipid bilayer of a given helix of a family of helix sequences. We illustrate this software via analyses of insertion into a membrane of short hydrophobic TM helices containing a single cationic arginine residue positioned at different positions along the length of the helix. From analyses of these ensembles of simulations, we estimate apparent energy barriers to insertion which are comparable to experimentally determined values. In a second application, we use CGMD simulations to examine the self-assembly of dimers of TM helices from the ErbB1 receptor tyrosine kinase and analyze the numbers of simulation repeats necessary to obtain convergence of simple descriptors of the mode of packing of the two helices within a dimer. Our approach offers a proof-of-principle platform for the further employment of automation in large ensemble CGMD simulations of membrane proteins.

Changes of climate regimes during the last millennium and the twenty-first century simulated by the Community Earth System Model

NASA Astrophysics Data System (ADS)

Huang, Wei; Feng, Song; Liu, Chang; Chen, Jie; Chen, Jianhui; Chen, Fahu

2018-01-01

This study examines the shifts in terrestrial climate regimes using the Köppen-Trewartha (K-T) climate classification by analyzing the Community Earth System Model Last Millennium Ensemble (CESM-LME) simulations for the period 850-2005 and CESM Medium Ensemble (CESM-ME), CESM Large Ensemble (CESM-LE) and CESM with fixed aerosols Medium Ensemble (CESM-LE_FixA) simulations for the period 1920-2080. We compare K-T climate types from the Medieval Climate Anomaly (MCA) (950-1250) with the Little Ice Age (LIA) (1550-1850), from present day (PD) (1971-2000) with the last millennium (LM) (850-1850), and from the future (2050-2080) with the LM in order to place anthropogenic changes in the context of changes due to natural forcings occurring during the last millennium. For CESM-LME, we focused on the simulations with all forcings, though the impacts of individual forcings (e.g., solar activities, volcanic eruptions, greenhouse gases, aerosols and land use changes) were also analyzed. We found that the climate types changed slightly between the MCA and the LIA due to weak changes in temperature and precipitation. The climate type changes in PD relative to the last millennium have been largely driven by greenhouse gas-induced warming, but anthropogenic aerosols have also played an important role on regional scales. At the end of the twenty-first century, the anthropogenic forcing has a much greater effect on climate types than the PD. Following the reduction of aerosol emissions, the impact of greenhouse gases will further promote global warming in the future. Compared to precipitation, changes in climate types are dominated by greenhouse gas-induced warming. The large shift in climate types by the end of this century suggests possible wide-spread redistribution of surface vegetation and a significant change in species distributions.

Regional Climate Models Downscaling in the Alpine Area with Multimodel SuperEnsemble

NASA Astrophysics Data System (ADS)

Cane, D.; Barbarino, S.; Renier, L.; Ronchi, C.

2012-04-01

The climatic scenarios show a strong signal of warming in the Alpine area already for the mid XXI century. The climate simulation, however, even when obtained with Regional Climate Models (RCMs), are affected by strong errors where compared with observations in the control period, due to their difficulties in representing the complex orography of the Alps and limitations in their physical parametrization. In this work we use a selection of RCMs runs from the ENSEMBLES project, carefully chosen in order to maximise the variety of leading Global Climate Models and of the RCMs themselves, calculated on the SRES scenario A1B. The reference observation for the Greater Alpine Area are extracted from the European dataset E-OBS produced by the project ENSEMBLES with an available resolution of 25 km. For the study area of Piemonte daily temperature and precipitation observations (1957-present) were carefully gridded on a 14-km grid over Piemonte Region with an Optimal Interpolation technique. We applied the Multimodel SuperEnsemble technique to temperature fields, reducing the high biases of RCMs temperature field compared to observations in the control period. We propose also the first application to RCMs of a brand new probabilistic Multimodel SuperEnsemble Dressing technique to estimate precipitation fields, already applied successfully to weather forecast models, with careful description of precipitation Probability Density Functions conditioned to the model outputs. This technique reduces the strong precipitation overestimation by RCMs over the alpine chain and reproduces the monthly behaviour of observed precipitation in the control period far better than the direct model outputs.

Use of ultraviolet-fluorescence-based simulation in evaluation of personal protective equipment worn for first assessment and care of a patient with suspected high-consequence infectious disease.

PubMed

Hall, S; Poller, B; Bailey, C; Gregory, S; Clark, R; Roberts, P; Tunbridge, A; Poran, V; Evans, C; Crook, B

2018-06-01

Variations currently exist across the UK in the choice of personal protective equipment (PPE) used by healthcare workers when caring for patients with suspected high-consequence infectious diseases (HCIDs). To test the protection afforded to healthcare workers by current PPE ensembles during assessment of a suspected HCID case, and to provide an evidence base to justify proposal of a unified PPE ensemble for healthcare workers across the UK. One 'basic level' (enhanced precautions) PPE ensemble and five 'suspected case' PPE ensembles were evaluated in volunteer trials using 'Violet'; an ultraviolet-fluorescence-based simulation exercise to visualize exposure/contamination events. Contamination was photographed and mapped. There were 147 post-simulation and 31 post-doffing contamination events, from a maximum of 980, when evaluating the basic level of PPE. Therefore, this PPE ensemble did not afford adequate protection, primarily due to direct contamination of exposed areas of the skin. For the five suspected case ensembles, 1584 post-simulation contamination events were recorded, from a maximum of 5110. Twelve post-doffing contamination events were also observed (face, two events; neck, one event; forearm, one event; lower legs, eight events). All suspected case PPE ensembles either had post-doffing contamination events or other significant disadvantages to their use. This identified the need to design a unified PPE ensemble and doffing procedure, incorporating the most protective PPE considered for each body area. This work has been presented to, and reviewed by, key stakeholders to decide on a proposed unified ensemble, subject to further evaluation. Crown Copyright © 2018. Published by Elsevier Ltd. All rights reserved.

Climate Central World Weather Attribution (WWA) project: Real-time extreme weather event attribution analysis

NASA Astrophysics Data System (ADS)

Haustein, Karsten; Otto, Friederike; Uhe, Peter; Allen, Myles; Cullen, Heidi

2015-04-01

Extreme weather detection and attribution analysis has emerged as a core theme in climate science over the last decade or so. By using a combination of observational data and climate models it is possible to identify the role of climate change in certain types of extreme weather events such as sea level rise and its contribution to storm surges, extreme heat events and droughts or heavy rainfall and flood events. These analyses are usually carried out after an extreme event has occurred when reanalysis and observational data become available. The Climate Central WWA project will exploit the increasing forecast skill of seasonal forecast prediction systems such as the UK MetOffice GloSea5 (Global seasonal forecasting system) ensemble forecasting method. This way, the current weather can be fed into climate models to simulate large ensembles of possible weather scenarios before an event has fully emerged yet. This effort runs along parallel and intersecting tracks of science and communications that involve research, message development and testing, staged socialization of attribution science with key audiences, and dissemination. The method we employ uses a very large ensemble of simulations of regional climate models to run two different analyses: one to represent the current climate as it was observed, and one to represent the same events in the world that might have been without human-induced climate change. For the weather "as observed" experiment, the atmospheric model uses observed sea surface temperature (SST) data from GloSea5 (currently) and present-day atmospheric gas concentrations to simulate weather events that are possible given the observed climate conditions. The weather in the "world that might have been" experiments is obtained by removing the anthropogenic forcing from the observed SSTs, thereby simulating a counterfactual world without human activity. The anthropogenic forcing is obtained by comparing the CMIP5 historical and natural simulations from a variety of CMIP5 model ensembles. Here, we present results for the UK 2013/14 winter floods as proof of concept and we show validation and testing results that demonstrate the robustness of our method. We also revisit the record temperatures over Europe in 2014 and present a detailed analysis of this attribution exercise as it is one of the events to demonstrate that we can make a sensible statement of how the odds for such a year to occur have changed while it still unfolds.

Spatial heterogeneity in the timing of birch budburst in response to future climate warming in Ireland

NASA Astrophysics Data System (ADS)

Caffarra, Amelia; Zottele, Fabio; Gleeson, Emily; Donnelly, Alison

2014-05-01

In order to predict the impact of future climate warming on trees it is important to quantify the effect climate has on their development. Our understanding of the phenological response to environmental drivers has given rise to various mathematical models of the annual growth cycle of plants. These models simulate the timing of phenophases by quantifying the relationship between development and its triggers, typically temperature. In addition, other environmental variables have an important role in determining the timing of budburst. For example, photoperiod has been shown to have a strong influence on phenological events of a number of tree species, including Betula pubescens (birch). A recently developed model for birch (DORMPHOT), which integrates the effects of temperature and photoperiod on budburst, was applied to future temperature projections from a 19-member ensemble of regional climate simulations (on a 25 km grid) generated as part of the ENSEMBLES project, to simulate the timing of birch budburst in Ireland each year up to the end of the present century. Gridded temperature time series data from the climate simulations were used as input to the DORMPHOT model to simulate future budburst timing. The results showed an advancing trend in the timing of birch budburst over most regions in Ireland up to 2100. Interestingly, this trend appeared greater in the northeast of the country than in the southwest, where budburst is currently relatively early. These results could have implications for future forest planning, species distribution modeling, and the birch allergy season.

Accelerating Monte Carlo molecular simulations by reweighting and reconstructing Markov chains: Extrapolation of canonical ensemble averages and second derivatives to different temperature and density conditions

NASA Astrophysics Data System (ADS)

Kadoura, Ahmad; Sun, Shuyu; Salama, Amgad

2014-08-01

Accurate determination of thermodynamic properties of petroleum reservoir fluids is of great interest to many applications, especially in petroleum engineering and chemical engineering. Molecular simulation has many appealing features, especially its requirement of fewer tuned parameters but yet better predicting capability; however it is well known that molecular simulation is very CPU expensive, as compared to equation of state approaches. We have recently introduced an efficient thermodynamically consistent technique to regenerate rapidly Monte Carlo Markov Chains (MCMCs) at different thermodynamic conditions from the existing data points that have been pre-computed with expensive classical simulation. This technique can speed up the simulation more than a million times, making the regenerated molecular simulation almost as fast as equation of state approaches. In this paper, this technique is first briefly reviewed and then numerically investigated in its capability of predicting ensemble averages of primary quantities at different neighboring thermodynamic conditions to the original simulated MCMCs. Moreover, this extrapolation technique is extended to predict second derivative properties (e.g. heat capacity and fluid compressibility). The method works by reweighting and reconstructing generated MCMCs in canonical ensemble for Lennard-Jones particles. In this paper, system's potential energy, pressure, isochoric heat capacity and isothermal compressibility along isochors, isotherms and paths of changing temperature and density from the original simulated points were extrapolated. Finally, an optimized set of Lennard-Jones parameters (ε, σ) for single site models were proposed for methane, nitrogen and carbon monoxide.

Convergence in France facing Big Data era and Exascale challenges for Climate Sciences

NASA Astrophysics Data System (ADS)

Denvil, Sébastien; Dufresne, Jean-Louis; Salas, David; Meurdesoif, Yann; Valcke, Sophie; Caubel, Arnaud; Foujols, Marie-Alice; Servonnat, Jérôme; Sénési, Stéphane; Derouillat, Julien; Voury, Pascal

2014-05-01

The presentation will introduce a french national project : CONVERGENCE that has been funded for four years. This project will tackle big data and computational challenges faced by climate modeling community in HPC context. Model simulations are central to the study of complex mechanisms and feedbacks in the climate system and to provide estimates of future and past climate changes. Recent trends in climate modelling are to add more physical components in the modelled system, increasing the resolution of each individual component and the more systematic use of large suites of simulations to address many scientific questions. Climate simulations may therefore differ in their initial state, parameter values, representation of physical processes, spatial resolution, model complexity, and degree of realism or degree of idealisation. In addition, there is a strong need for evaluating, improving and monitoring the performance of climate models using a large ensemble of diagnostics and better integration of model outputs and observational data. High performance computing is currently reaching the exascale and has the potential to produce this exponential increase of size and numbers of simulations. However, post-processing, analysis, and exploration of the generated data have stalled and there is a strong need for new tools to cope with the growing size and complexity of the underlying simulations and datasets. Exascale simulations require new scalable software tools to generate, manage and mine those simulations ,and data to extract the relevant information and to take the correct decision. The primary purpose of this project is to develop a platform capable of running large ensembles of simulations with a suite of models, to handle the complex and voluminous datasets generated, to facilitate the evaluation and validation of the models and the use of higher resolution models. We propose to gather interdisciplinary skills to design, using a component-based approach, a specific programming environment for scalable scientific simulations and analytics, integrating new and efficient ways of deploying and analysing the applications on High Performance Computing (HPC) system. CONVERGENCE, gathering HPC and informatics expertise that cuts across the individual partners and the broader HPC community, will allow the national climate community to leverage information technology (IT) innovations to address its specific needs. Our methodology consists in developing an ensemble of generic elements needed to run the French climate models with different grids and different resolution, ensuring efficient and reliable execution of these models, managing large volume and number of data and allowing analysis of the results and precise evaluation of the models. These elements include data structure definition and input-output (IO), code coupling and interpolation, as well as runtime and pre/post-processing environments. A common data and metadata structure will allow transferring consistent information between the various elements. All these generic elements will be open source and publicly available. The IPSL-CM and CNRM-CM climate models will make use of these elements that will constitute a national platform for climate modelling. This platform will be used, in its entirety, to optimise and tune the next version of the IPSL-CM model and to develop a global coupled climate model with a regional grid refinement. It will also be used, at least partially, to run ensembles of the CNRM-CM model at relatively high resolution and to run a very-high resolution prototype of this model. The climate models we developed are already involved in many international projects. For instance we participate to the CMIP (Coupled Model Intercomparison Project) project that is very demanding but has a high visibility: its results are widely used and are in particular synthesised in the IPCC (Intergovernmental Panel on Climate Change) assessment reports. The CONVERGENCE project will constitute an invaluable step for the French climate community to prepare and better contribute to the next phase of the CMIP project.

Statistics of the epoch of reionization 21-cm signal - I. Power spectrum error-covariance

NASA Astrophysics Data System (ADS)

Mondal, Rajesh; Bharadwaj, Somnath; Majumdar, Suman

2016-02-01

The non-Gaussian nature of the epoch of reionization (EoR) 21-cm signal has a significant impact on the error variance of its power spectrum P(k). We have used a large ensemble of seminumerical simulations and an analytical model to estimate the effect of this non-Gaussianity on the entire error-covariance matrix {C}ij. Our analytical model shows that {C}ij has contributions from two sources. One is the usual variance for a Gaussian random field which scales inversely of the number of modes that goes into the estimation of P(k). The other is the trispectrum of the signal. Using the simulated 21-cm Signal Ensemble, an ensemble of the Randomized Signal and Ensembles of Gaussian Random Ensembles we have quantified the effect of the trispectrum on the error variance {C}II. We find that its relative contribution is comparable to or larger than that of the Gaussian term for the k range 0.3 ≤ k ≤ 1.0 Mpc-1, and can be even ˜200 times larger at k ˜ 5 Mpc-1. We also establish that the off-diagonal terms of {C}ij have statistically significant non-zero values which arise purely from the trispectrum. This further signifies that the error in different k modes are not independent. We find a strong correlation between the errors at large k values (≥0.5 Mpc-1), and a weak correlation between the smallest and largest k values. There is also a small anticorrelation between the errors in the smallest and intermediate k values. These results are relevant for the k range that will be probed by the current and upcoming EoR 21-cm experiments.

Global Weirding? - Using Very Large Ensembles and Extreme Value Theory to assess Changes in Extreme Weather Events Today

NASA Astrophysics Data System (ADS)

Otto, F. E. L.; Mitchell, D.; Sippel, S.; Black, M. T.; Dittus, A. J.; Harrington, L. J.; Mohd Saleh, N. H.

2014-12-01

A shift in the distribution of socially-relevant climate variables such as daily minimum winter temperatures and daily precipitation extremes, has been attributed to anthropogenic climate change for various mid-latitude regions. However, while there are many process-based arguments suggesting also a change in the shape of these distributions, attribution studies demonstrating this have not currently been undertaken. Here we use a very large initial condition ensemble of ~40,000 members simulating the European winter 2013/2014 using the distributed computing infrastructure under the weather@home project. Two separate scenarios are used:1. current climate conditions, and 2. a counterfactual scenario of "world that might have been" without anthropogenic forcing. Specifically focusing on extreme events, we assess how the estimated parameters of the Generalized Extreme Value (GEV) distribution vary depending on variable-type, sampling frequency (daily, monthly, …) and geographical region. We find that the location parameter changes for most variables but, depending on the region and variables, we also find significant changes in scale and shape parameters. The very large ensemble allows, furthermore, to assess whether such findings in the fitted GEV distributions are consistent with an empirical analysis of the model data, and whether the most extreme data still follow a known underlying distribution that in a small sample size might otherwise be thought of as an out-lier. The ~40,000 member ensemble is simulated using 12 different SST patterns (1 'observed', and 11 best guesses of SSTs with no anthropogenic warming). The range in SSTs, along with the corresponding changings in the NAO and high-latitude blocking inform on the dynamics governing some of these extreme events. While strong tele-connection patterns are not found in this particular experiment, the high number of simulated extreme events allows for a more thorough analysis of the dynamics than has been performed before. Therefore, combining extreme value theory with very large ensemble simulations allows us to understand the dynamics of changes in extreme events which is not possible just using the former but also shows in which cases statistics combined with smaller ensembles give as valid results as very large initial conditions.

Sensitivity and requirement of improvements of four soybean crop simulation models for climate change studies in Southern Brazil

NASA Astrophysics Data System (ADS)

Battisti, R.; Sentelhas, P. C.; Boote, K. J.

2017-12-01

Crop growth models have many uncertainties that affect the yield response to climate change. Based on that, the aim of this study was to evaluate the sensitivity of crop models to systematic changes in climate for simulating soybean attainable yield in Southern Brazil. Four crop models were used to simulate yields: AQUACROP, MONICA, DSSAT, and APSIM, as well as their ensemble. The simulations were performed considering changes of air temperature (0, + 1.5, + 3.0, + 4.5, and + 6.0 °C), [CO2] (380, 480, 580, 680, and 780 ppm), rainfall (- 30, - 15, 0, + 15, and + 30%), and solar radiation (- 15, 0, + 15), applied to daily values. The baseline climate was from 1961 to 2014, totalizing 53 crop seasons. The crop models simulated a reduction of attainable yield with temperature increase, reaching 2000 kg ha-1 for the ensemble at + 6 °C, mainly due to shorter crop cycle. For rainfall, the yield had a higher rate of reduction when it was diminished than when rainfall was increased. The crop models increased yield variability when solar radiation was changed from - 15 to + 15%, whereas [CO2] rise resulted in yield gains, following an asymptotic response, with a mean increase of 31% from 380 to 680 ppm. The models used require further attention to improvements in optimal and maximum cardinal temperature for development rate; runoff, water infiltration, deep drainage, and dynamic of root growth; photosynthesis parameters related to soil water availability; and energy balance of soil-plant system to define leaf temperature under elevated CO2.

Sensitivity and requirement of improvements of four soybean crop simulation models for climate change studies in Southern Brazil

NASA Astrophysics Data System (ADS)

Battisti, R.; Sentelhas, P. C.; Boote, K. J.

2018-05-01

Crop growth models have many uncertainties that affect the yield response to climate change. Based on that, the aim of this study was to evaluate the sensitivity of crop models to systematic changes in climate for simulating soybean attainable yield in Southern Brazil. Four crop models were used to simulate yields: AQUACROP, MONICA, DSSAT, and APSIM, as well as their ensemble. The simulations were performed considering changes of air temperature (0, + 1.5, + 3.0, + 4.5, and + 6.0 °C), [CO2] (380, 480, 580, 680, and 780 ppm), rainfall (- 30, - 15, 0, + 15, and + 30%), and solar radiation (- 15, 0, + 15), applied to daily values. The baseline climate was from 1961 to 2014, totalizing 53 crop seasons. The crop models simulated a reduction of attainable yield with temperature increase, reaching 2000 kg ha-1 for the ensemble at + 6 °C, mainly due to shorter crop cycle. For rainfall, the yield had a higher rate of reduction when it was diminished than when rainfall was increased. The crop models increased yield variability when solar radiation was changed from - 15 to + 15%, whereas [CO2] rise resulted in yield gains, following an asymptotic response, with a mean increase of 31% from 380 to 680 ppm. The models used require further attention to improvements in optimal and maximum cardinal temperature for development rate; runoff, water infiltration, deep drainage, and dynamic of root growth; photosynthesis parameters related to soil water availability; and energy balance of soil-plant system to define leaf temperature under elevated CO2.

Ensemble Flow Forecasts for Risk Based Reservoir Operations of Lake Mendocino in Mendocino County, California: A Framework for Objectively Leveraging Weather and Climate Forecasts in a Decision Support Environment

NASA Astrophysics Data System (ADS)

Delaney, C.; Hartman, R. K.; Mendoza, J.; Whitin, B.

2017-12-01

Forecast informed reservoir operations (FIRO) is a methodology that incorporates short to mid-range precipitation and flow forecasts to inform the flood operations of reservoirs. The Ensemble Forecast Operations (EFO) alternative is a probabilistic approach of FIRO that incorporates ensemble streamflow predictions (ESPs) made by NOAA's California-Nevada River Forecast Center (CNRFC). With the EFO approach, release decisions are made to manage forecasted risk of reaching critical operational thresholds. A water management model was developed for Lake Mendocino, a 111,000 acre-foot reservoir located near Ukiah, California, to evaluate the viability of the EFO alternative to improve water supply reliability but not increase downstream flood risk. Lake Mendocino is a dual use reservoir, which is owned and operated for flood control by the United States Army Corps of Engineers and is operated for water supply by the Sonoma County Water Agency. Due to recent changes in the operations of an upstream hydroelectric facility, this reservoir has suffered from water supply reliability issues since 2007. The EFO alternative was simulated using a 26-year (1985-2010) ESP hindcast generated by the CNRFC. The ESP hindcast was developed using Global Ensemble Forecast System version 10 precipitation reforecasts processed with the Hydrologic Ensemble Forecast System to generate daily reforecasts of 61 flow ensemble members for a 15-day forecast horizon. Model simulation results demonstrate that the EFO alternative may improve water supply reliability for Lake Mendocino yet not increase flood risk for downstream areas. The developed operations framework can directly leverage improved skill in the second week of the forecast and is extendable into the S2S time domain given the demonstration of improved skill through a reliable reforecast of adequate historical duration and consistent with operationally available numerical weather predictions.

Predicting acidification recovery at the Hubbard Brook Experimental Forest, New Hampshire: evaluation of four models.

PubMed

Tominaga, Koji; Aherne, Julian; Watmough, Shaun A; Alveteg, Mattias; Cosby, Bernard J; Driscoll, Charles T; Posch, Maximilian; Pourmokhtarian, Afshin

2010-12-01

The performance and prediction uncertainty (owing to parameter and structural uncertainties) of four dynamic watershed acidification models (MAGIC, PnET-BGC, SAFE, and VSD) were assessed by systematically applying them to data from the Hubbard Brook Experimental Forest (HBEF), New Hampshire, where long-term records of precipitation and stream chemistry were available. In order to facilitate systematic evaluation, Monte Carlo simulation was used to randomly generate common model input data sets (n = 10,000) from parameter distributions; input data were subsequently translated among models to retain consistency. The model simulations were objectively calibrated against observed data (streamwater: 1963-2004, soil: 1983). The ensemble of calibrated models was used to assess future response of soil and stream chemistry to reduced sulfur deposition at the HBEF. Although both hindcast (1850-1962) and forecast (2005-2100) predictions were qualitatively similar across the four models, the temporal pattern of key indicators of acidification recovery (stream acid neutralizing capacity and soil base saturation) differed substantially. The range in predictions resulted from differences in model structure and their associated posterior parameter distributions. These differences can be accommodated by employing multiple models (ensemble analysis) but have implications for individual model applications.

Climate change and watershed mercury export: a multiple projection and model analysis

EPA Science Inventory

Future shifts in climatic conditions may impact watershed mercury (Hg) dynamics and transport. We apply an ensemble of watershed models to simulate and assess the responses of hydrological and total Hg (HgT) fluxes and concentrations to two climate change projections in the US Co...

Evaluation and error apportionment of an ensemble of atmospheric chemistry transport modeling systems: multivariable temporal and spatial breakdown

EPA Science Inventory

Through the comparison of several regional-scale chemistry transport modelling systems that simulate meteorology and air quality over the European and American continents, this study aims at i) apportioning the error to the responsible processes using time-scale analysis, ii) hel...

Efficient design based on perturbed parameter ensembles to identify plausible and diverse variants of a model for climate change projections

NASA Astrophysics Data System (ADS)

Karmalkar, A.; Sexton, D.; Murphy, J.

2017-12-01

We present exploratory work towards developing an efficient strategy to select variants of a state-of-the-art but expensive climate model suitable for climate projection studies. The strategy combines information from a set of idealized perturbed parameter ensemble (PPE) and CMIP5 multi-model ensemble (MME) experiments, and uses two criteria as basis to select model variants for a PPE suitable for future projections: a) acceptable model performance at two different timescales, and b) maintaining diversity in model response to climate change. We demonstrate that there is a strong relationship between model errors at weather and climate timescales for a variety of key variables. This relationship is used to filter out parts of parameter space that do not give credible simulations of historical climate, while minimizing the impact on ranges in forcings and feedbacks that drive model responses to climate change. We use statistical emulation to explore the parameter space thoroughly, and demonstrate that about 90% can be filtered out without affecting diversity in global-scale climate change responses. This leads to identification of plausible parts of parameter space from which model variants can be selected for projection studies.

High resolution global climate modelling; the UPSCALE project, a large simulation campaign

NASA Astrophysics Data System (ADS)

Mizielinski, M. S.; Roberts, M. J.; Vidale, P. L.; Schiemann, R.; Demory, M.-E.; Strachan, J.; Edwards, T.; Stephens, A.; Lawrence, B. N.; Pritchard, M.; Chiu, P.; Iwi, A.; Churchill, J.; del Cano Novales, C.; Kettleborough, J.; Roseblade, W.; Selwood, P.; Foster, M.; Glover, M.; Malcolm, A.

2014-01-01

The UPSCALE (UK on PRACE: weather-resolving Simulations of Climate for globAL Environmental risk) project constructed and ran an ensemble of HadGEM3 (Hadley centre Global Environment Model 3) atmosphere-only global climate simulations over the period 1985-2011, at resolutions of N512 (25 km), N216 (60 km) and N96 (130 km) as used in current global weather forecasting, seasonal prediction and climate modelling respectively. Alongside these present climate simulations a parallel ensemble looking at extremes of future climate was run, using a time-slice methodology to consider conditions at the end of this century. These simulations were primarily performed using a 144 million core hour, single year grant of computing time from PRACE (the Partnership for Advanced Computing in Europe) in 2012, with additional resources supplied by the Natural Environmental Research Council (NERC) and the Met Office. Almost 400 terabytes of simulation data were generated on the HERMIT supercomputer at the high performance computing center Stuttgart (HLRS), and transferred to the JASMIN super-data cluster provided by the Science and Technology Facilities Council Centre for Data Archival (STFC CEDA) for analysis and storage. In this paper we describe the implementation of the project, present the technical challenges in terms of optimisation, data output, transfer and storage that such a project involves and include details of the model configuration and the composition of the UPSCALE dataset. This dataset is available for scientific analysis to allow assessment of the value of model resolution in both present and potential future climate conditions.

High-resolution global climate modelling: the UPSCALE project, a large-simulation campaign

NASA Astrophysics Data System (ADS)

Mizielinski, M. S.; Roberts, M. J.; Vidale, P. L.; Schiemann, R.; Demory, M.-E.; Strachan, J.; Edwards, T.; Stephens, A.; Lawrence, B. N.; Pritchard, M.; Chiu, P.; Iwi, A.; Churchill, J.; del Cano Novales, C.; Kettleborough, J.; Roseblade, W.; Selwood, P.; Foster, M.; Glover, M.; Malcolm, A.

2014-08-01

The UPSCALE (UK on PRACE: weather-resolving Simulations of Climate for globAL Environmental risk) project constructed and ran an ensemble of HadGEM3 (Hadley Centre Global Environment Model 3) atmosphere-only global climate simulations over the period 1985-2011, at resolutions of N512 (25 km), N216 (60 km) and N96 (130 km) as used in current global weather forecasting, seasonal prediction and climate modelling respectively. Alongside these present climate simulations a parallel ensemble looking at extremes of future climate was run, using a time-slice methodology to consider conditions at the end of this century. These simulations were primarily performed using a 144 million core hour, single year grant of computing time from PRACE (the Partnership for Advanced Computing in Europe) in 2012, with additional resources supplied by the Natural Environment Research Council (NERC) and the Met Office. Almost 400 terabytes of simulation data were generated on the HERMIT supercomputer at the High Performance Computing Center Stuttgart (HLRS), and transferred to the JASMIN super-data cluster provided by the Science and Technology Facilities Council Centre for Data Archival (STFC CEDA) for analysis and storage. In this paper we describe the implementation of the project, present the technical challenges in terms of optimisation, data output, transfer and storage that such a project involves and include details of the model configuration and the composition of the UPSCALE data set. This data set is available for scientific analysis to allow assessment of the value of model resolution in both present and potential future climate conditions.

Temporal Processing in the Visual Cortex of the Awake and Anesthetized Rat.

PubMed

Aasebø, Ida E J; Lepperød, Mikkel E; Stavrinou, Maria; Nøkkevangen, Sandra; Einevoll, Gaute; Hafting, Torkel; Fyhn, Marianne

2017-01-01

The activity pattern and temporal dynamics within and between neuron ensembles are essential features of information processing and believed to be profoundly affected by anesthesia. Much of our general understanding of sensory information processing, including computational models aimed at mathematically simulating sensory information processing, rely on parameters derived from recordings conducted on animals under anesthesia. Due to the high variety of neuronal subtypes in the brain, population-based estimates of the impact of anesthesia may conceal unit- or ensemble-specific effects of the transition between states. Using chronically implanted tetrodes into primary visual cortex (V1) of rats, we conducted extracellular recordings of single units and followed the same cell ensembles in the awake and anesthetized states. We found that the transition from wakefulness to anesthesia involves unpredictable changes in temporal response characteristics. The latency of single-unit responses to visual stimulation was delayed in anesthesia, with large individual variations between units. Pair-wise correlations between units increased under anesthesia, indicating more synchronized activity. Further, the units within an ensemble show reproducible temporal activity patterns in response to visual stimuli that is changed between states, suggesting state-dependent sequences of activity. The current dataset, with recordings from the same neural ensembles across states, is well suited for validating and testing computational network models. This can lead to testable predictions, bring a deeper understanding of the experimental findings and improve models of neural information processing. Here, we exemplify such a workflow using a Brunel network model.

Temporal Processing in the Visual Cortex of the Awake and Anesthetized Rat

PubMed Central

Aasebø, Ida E. J.; Stavrinou, Maria; Nøkkevangen, Sandra; Einevoll, Gaute

2017-01-01

Abstract The activity pattern and temporal dynamics within and between neuron ensembles are essential features of information processing and believed to be profoundly affected by anesthesia. Much of our general understanding of sensory information processing, including computational models aimed at mathematically simulating sensory information processing, rely on parameters derived from recordings conducted on animals under anesthesia. Due to the high variety of neuronal subtypes in the brain, population-based estimates of the impact of anesthesia may conceal unit- or ensemble-specific effects of the transition between states. Using chronically implanted tetrodes into primary visual cortex (V1) of rats, we conducted extracellular recordings of single units and followed the same cell ensembles in the awake and anesthetized states. We found that the transition from wakefulness to anesthesia involves unpredictable changes in temporal response characteristics. The latency of single-unit responses to visual stimulation was delayed in anesthesia, with large individual variations between units. Pair-wise correlations between units increased under anesthesia, indicating more synchronized activity. Further, the units within an ensemble show reproducible temporal activity patterns in response to visual stimuli that is changed between states, suggesting state-dependent sequences of activity. The current dataset, with recordings from the same neural ensembles across states, is well suited for validating and testing computational network models. This can lead to testable predictions, bring a deeper understanding of the experimental findings and improve models of neural information processing. Here, we exemplify such a workflow using a Brunel network model. PMID:28791331

Crop Yield Simulations Using Multiple Regional Climate Models in the Southwestern United States

NASA Astrophysics Data System (ADS)

Stack, D.; Kafatos, M.; Kim, S.; Kim, J.; Walko, R. L.

2013-12-01

Agricultural productivity (described by crop yield) is strongly dependent on climate conditions determined by meteorological parameters (e.g., temperature, rainfall, and solar radiation). California is the largest producer of agricultural products in the United States, but crops in associated arid and semi-arid regions live near their physiological limits (e.g., in hot summer conditions with little precipitation). Thus, accurate climate data are essential in assessing the impact of climate variability on agricultural productivity in the Southwestern United States and other arid regions. To address this issue, we produced simulated climate datasets and used them as input for the crop production model. For climate data, we employed two different regional climate models (WRF and OLAM) using a fine-resolution (8km) grid. Performances of the two different models are evaluated in a fine-resolution regional climate hindcast experiment for 10 years from 2001 to 2010 by comparing them to the North American Regional Reanalysis (NARR) dataset. Based on this comparison, multi-model ensembles with variable weighting are used to alleviate model bias and improve the accuracy of crop model productivity over large geographic regions (county and state). Finally, by using a specific crop-yield simulation model (APSIM) in conjunction with meteorological forcings from the multi-regional climate model ensemble, we demonstrate the degree to which maize yields are sensitive to the regional climate in the Southwestern United States.

Climate impacts on palm oil yields in the Nigerian Niger Delta

NASA Astrophysics Data System (ADS)

Okoro, Stanley U.; Schickhoff, Udo; Boehner, Juergen; Schneider, Uwe A.; Huth, Neil

2016-04-01

Palm oil production has increased in recent decades and is estimated to increase further. The optimal role of palm oil production, however, is controversial because of resource conflicts with alternative land uses. Local conditions and climate change affect resource competition and the desirability of palm oil production. Based on this, crop yield simulations using different climate model output under different climate scenarios could be important tool in addressing the problem of uncertainty quantification among different climate model outputs. Previous studies on this region have focused mostly on single experimental fields, not considering variations in Agro-Ecological Zones, climatic conditions, varieties and management practices and, in most cases not extending to various IPCC climate scenarios and were mostly based on single climate model output. Furthermore, the uncertainty quantification of the climate- impact model has rarely been investigated on this region. To this end we use the biophysical simulation model APSIM (Agricultural Production Systems Simulator) to simulate the regional climate impact on oil palm yield over the Nigerian Niger Delta. We also examine whether the use of crop yield model output ensemble reduces the uncertainty rather than the use of climate model output ensemble. The results could serve as a baseline for policy makers in this region in understanding the interaction between potentials of energy crop production of the region as well as its food security and other negative feedbacks that could be associated with bioenergy from oil palm. Keywords: Climate Change, Climate impacts, Land use and Crop yields.

Impact of a regional drought on terrestrial carbon fluxes and atmospheric carbon: results from a coupled carbon cycle model

NASA Astrophysics Data System (ADS)

Lee, E.; Koster, R. D.; Ott, L. E.; Weir, B.; Mahanama, S. P. P.; Chang, Y.; Zeng, F.

2017-12-01

Understanding the underlying processes that control the carbon cycle is key to predicting future global change. Much of the uncertainty in the magnitude and variability of the atmospheric carbon dioxide (CO2) stems from uncertainty in terrestrial carbon fluxes. Budget-based analyses show that such fluxes exhibit substantial interannual variability, but the relative impacts of temperature and moisture variations on regional and global scales are poorly understood. Here we investigate the impact of a regional drought on terrestrial carbon fluxes and CO2 mixing ratios over North America using the NASA Goddard Earth Observing System (GEOS) Model. Two 48-member ensembles of NASA GEOS-5 simulations with fully coupled land and atmosphere carbon components are performed - a control ensemble and an ensemble with an artificially imposed dry land surface anomaly for three months (April-June) over the lower Mississippi River Valley. Comparison of the results using the ensemble approach allows a direct quantification of the impact of the regional drought on local and proximate carbon exchange at the land surface via the carbon-water feedback processes.

GENESIS: a hybrid-parallel and multi-scale molecular dynamics simulator with enhanced sampling algorithms for biomolecular and cellular simulations

PubMed Central

Jung, Jaewoon; Mori, Takaharu; Kobayashi, Chigusa; Matsunaga, Yasuhiro; Yoda, Takao; Feig, Michael; Sugita, Yuji

2015-01-01

GENESIS (Generalized-Ensemble Simulation System) is a new software package for molecular dynamics (MD) simulations of macromolecules. It has two MD simulators, called ATDYN and SPDYN. ATDYN is parallelized based on an atomic decomposition algorithm for the simulations of all-atom force-field models as well as coarse-grained Go-like models. SPDYN is highly parallelized based on a domain decomposition scheme, allowing large-scale MD simulations on supercomputers. Hybrid schemes combining OpenMP and MPI are used in both simulators to target modern multicore computer architectures. Key advantages of GENESIS are (1) the highly parallel performance of SPDYN for very large biological systems consisting of more than one million atoms and (2) the availability of various REMD algorithms (T-REMD, REUS, multi-dimensional REMD for both all-atom and Go-like models under the NVT, NPT, NPAT, and NPγT ensembles). The former is achieved by a combination of the midpoint cell method and the efficient three-dimensional Fast Fourier Transform algorithm, where the domain decomposition space is shared in real-space and reciprocal-space calculations. Other features in SPDYN, such as avoiding concurrent memory access, reducing communication times, and usage of parallel input/output files, also contribute to the performance. We show the REMD simulation results of a mixed (POPC/DMPC) lipid bilayer as a real application using GENESIS. GENESIS is released as free software under the GPLv2 licence and can be easily modified for the development of new algorithms and molecular models. WIREs Comput Mol Sci 2015, 5:310–323. doi: 10.1002/wcms.1220 PMID:26753008

High Resolution Modeling of Hurricanes in a Climate Context

NASA Astrophysics Data System (ADS)

Knutson, T. R.

2007-12-01

Modeling of tropical cyclone activity in a climate context initially focused on simulation of relatively weak tropical storm-like disturbances as resolved by coarse grid (200 km) global models. As computing power has increased, multi-year simulations with global models of grid spacing 20-30 km have become feasible. Increased resolution also allowed for simulation storms of increasing intensity, and some global models generate storms of hurricane strength, depending on their resolution and other factors, although detailed hurricane structure is not simulated realistically. Results from some recent high resolution global model studies are reviewed. An alternative for hurricane simulation is regional downscaling. An early approach was to embed an operational (GFDL) hurricane prediction model within a global model solution, either for 5-day case studies of particular model storm cases, or for "idealized experiments" where an initial vortex is inserted into an idealized environments derived from global model statistics. Using this approach, hurricanes up to category five intensity can be simulated, owing to the model's relatively high resolution (9 km grid) and refined physics. Variants on this approach have been used to provide modeling support for theoretical predictions that greenhouse warming will increase the maximum intensities of hurricanes. These modeling studies also simulate increased hurricane rainfall rates in a warmer climate. The studies do not address hurricane frequency issues, and vertical shear is neglected in the idealized studies. A recent development is the use of regional model dynamical downscaling for extended (e.g., season-length) integrations of hurricane activity. In a study for the Atlantic basin, a non-hydrostatic model with grid spacing of 18km is run without convective parameterization, but with internal spectral nudging toward observed large-scale (basin wavenumbers 0-2) atmospheric conditions from reanalyses. Using this approach, our model reproduces the observed increase in Atlantic hurricane activity (numbers, Accumulated Cyclone Energy (ACE), Power Dissipation Index (PDI), etc.) over the period 1980-2006 fairly realistically, and also simulates ENSO-related interannual variations in hurricane counts. Annual simulated hurricane counts from a two-member ensemble correlate with observed counts at r=0.86. However, the model does not simulate hurricanes as intense as those observed, with minimum central pressures of 937 hPa (category 4) and maximum surface winds of 47 m/s (category 2) being the most intense simulated so far in these experiments. To explore possible impacts of future climate warming on Atlantic hurricane activity, we are re-running the 1980- 2006 seasons, keeping the interannual to multidecadal variations unchanged, but altering the August-October mean climate according to changes simulated by an 18-member ensemble of AR4 climate models (years 2080- 2099, A1B emission scenario). The warmer climate state features higher Atlantic SSTs, and also increased vertical wind shear across the Caribbean (Vecchi and Soden, GRL 2007). A key assumption of this approach is that the 18-model ensemble-mean climate change is the best available projection of future climate change in the Atlantic. Some of the 18 global models show little increase in wind shear, or even a decrease, and thus there will be considerable uncertainty associated with the hurricane frequency results, which will require further exploration. Results from our simulations will be presented at the meeting.

Measuring excess free energies of self-assembled membrane structures.

PubMed

Norizoe, Yuki; Daoulas, Kostas Ch; Müller, Marcus

2010-01-01

Using computer simulation of a solvent-free, coarse-grained model for amphiphilic membranes, we study the excess free energy of hourglass-shaped connections (i.e., stalks) between two apposed bilayer membranes. In order to calculate the free energy by simulation in the canonical ensemble, we reversibly transfer two apposed bilayers into a configuration with a stalk in three steps. First, we gradually replace the intermolecular interactions by an external, ordering field. The latter is chosen such that the structure of the non-interacting system in this field closely resembles the structure of the original, interacting system in the absence of the external field. The absence of structural changes along this path suggests that it is reversible; a fact which is confirmed by expanded-ensemble simulations. Second, the external, ordering field is changed as to transform the non-interacting system from the apposed bilayer structure to two-bilayers connected by a stalk. The final external field is chosen such that the structure of the non-interacting system resembles the structure of the stalk in the interacting system without a field. On the third branch of the transformation path, we reversibly replace the external, ordering field by non-bonded interactions. Using expanded-ensemble techniques, the free energy change along this reversible path can be obtained with an accuracy of 10(-3)k(B)T per molecule in the n VT-ensemble. Calculating the chemical potential, we obtain the free energy of a stalk in the grandcanonical ensemble, and employing semi-grandcanonical techniques, we calculate the change of the excess free energy upon altering the molecular architecture. This computational strategy can be applied to compute the free energy of self-assembled phases in lipid and copolymer systems, and the excess free energy of defects or interfaces.