Bayes Error Rate Estimation Using Classifier Ensembles

NASA Technical Reports Server (NTRS)

Tumer, Kagan; Ghosh, Joydeep

2003-01-01

The Bayes error rate gives a statistical lower bound on the error achievable for a given classification problem and the associated choice of features. By reliably estimating th is rate, one can assess the usefulness of the feature set that is being used for classification. Moreover, by comparing the accuracy achieved by a given classifier with the Bayes rate, one can quantify how effective that classifier is. Classical approaches for estimating or finding bounds for the Bayes error, in general, yield rather weak results for small sample sizes; unless the problem has some simple characteristics, such as Gaussian class-conditional likelihoods. This article shows how the outputs of a classifier ensemble can be used to provide reliable and easily obtainable estimates of the Bayes error with negligible extra computation. Three methods of varying sophistication are described. First, we present a framework that estimates the Bayes error when multiple classifiers, each providing an estimate of the a posteriori class probabilities, a recombined through averaging. Second, we bolster this approach by adding an information theoretic measure of output correlation to the estimate. Finally, we discuss a more general method that just looks at the class labels indicated by ensem ble members and provides error estimates based on the disagreements among classifiers. The methods are illustrated for artificial data, a difficult four-class problem involving underwater acoustic data, and two problems from the Problem benchmarks. For data sets with known Bayes error, the combiner-based methods introduced in this article outperform existing methods. The estimates obtained by the proposed methods also seem quite reliable for the real-life data sets for which the true Bayes rates are unknown.

Inhomogeneous diffusion and ergodicity breaking induced by global memory effects

NASA Astrophysics Data System (ADS)

Budini, Adrián A.

2016-11-01

We introduce a class of discrete random-walk model driven by global memory effects. At any time, the right-left transitions depend on the whole previous history of the walker, being defined by an urnlike memory mechanism. The characteristic function is calculated in an exact way, which allows us to demonstrate that the ensemble of realizations is ballistic. Asymptotically, each realization is equivalent to that of a biased Markovian diffusion process with transition rates that strongly differs from one trajectory to another. Using this "inhomogeneous diffusion" feature, the ergodic properties of the dynamics are analytically studied through the time-averaged moments. Even in the long-time regime, they remain random objects. While their average over realizations recovers the corresponding ensemble averages, departure between time and ensemble averages is explicitly shown through their probability densities. For the density of the second time-averaged moment, an ergodic limit and the limit of infinite lag times do not commutate. All these effects are induced by the memory effects. A generalized Einstein fluctuation-dissipation relation is also obtained for the time-averaged moments.

Constructing optimal ensemble projections for predictive environmental modelling in Northern Eurasia

NASA Astrophysics Data System (ADS)

Anisimov, Oleg; Kokorev, Vasily

2013-04-01

Large uncertainties in climate impact modelling are associated with the forcing climate data. This study is targeted at the evaluation of the quality of GCM-based climatic projections in the specific context of predictive environmental modelling in Northern Eurasia. To accomplish this task, we used the output from 36 CMIP5 GCMs from the IPCC AR-5 data base for the control period 1975-2005 and calculated several climatic characteristics and indexes that are most often used in the impact models, i.e. the summer warmth index, duration of the vegetation growth period, precipitation sums, dryness index, thawing degree-day sums, and the annual temperature amplitude. We used data from 744 weather stations in Russia and neighbouring countries to analyze the spatial patterns of modern climatic change and to delineate 17 large regions with coherent temperature changes in the past few decades. GSM results and observational data were averaged over the coherent regions and compared with each other. Ultimately, we evaluated the skills of individual models, ranked them in the context of regional impact modelling and identified top-end GCMs that "better than average" reproduce modern regional changes of the selected meteorological parameters and climatic indexes. Selected top-end GCMs were used to compose several ensembles, each combining results from the different number of models. Ensembles were ranked using the same algorithm and outliers eliminated. We then used data from top-end ensembles for the 2000-2100 period to construct the climatic projections that are likely to be "better than average" in predicting climatic parameters that govern the state of environment in Northern Eurasia. The ultimate conclusions of our study are the following. • High-end GCMs that demonstrate excellent skills in conventional atmospheric model intercomparison experiments are not necessarily the best in replicating climatic characteristics that govern the state of environment in Northern Eurasia, and independent model evaluation on regional level is necessary to identify "better than average" GCMs. • Each of the ensembles combining results from several "better than average" models replicate selected meteorological parameters and climatic indexes better than any single GCM. The ensemble skills are parameter-specific and depend on models it consists of. The best results are not necessarily those based on the ensemble comprised by all "better than average" models. • Comprehensive evaluation of climatic scenarios using specific criteria narrows the range of uncertainties in environmental projections.

Quantum canonical ensemble: A projection operator approach

NASA Astrophysics Data System (ADS)

Magnus, Wim; Lemmens, Lucien; Brosens, Fons

2017-09-01

Knowing the exact number of particles N, and taking this knowledge into account, the quantum canonical ensemble imposes a constraint on the occupation number operators. The constraint particularly hampers the systematic calculation of the partition function and any relevant thermodynamic expectation value for arbitrary but fixed N. On the other hand, fixing only the average number of particles, one may remove the above constraint and simply factorize the traces in Fock space into traces over single-particle states. As is well known, that would be the strategy of the grand-canonical ensemble which, however, comes with an additional Lagrange multiplier to impose the average number of particles. The appearance of this multiplier can be avoided by invoking a projection operator that enables a constraint-free computation of the partition function and its derived quantities in the canonical ensemble, at the price of an angular or contour integration. Introduced in the recent past to handle various issues related to particle-number projected statistics, the projection operator approach proves beneficial to a wide variety of problems in condensed matter physics for which the canonical ensemble offers a natural and appropriate environment. In this light, we present a systematic treatment of the canonical ensemble that embeds the projection operator into the formalism of second quantization while explicitly fixing N, the very number of particles rather than the average. Being applicable to both bosonic and fermionic systems in arbitrary dimensions, transparent integral representations are provided for the partition function ZN and the Helmholtz free energy FN as well as for two- and four-point correlation functions. The chemical potential is not a Lagrange multiplier regulating the average particle number but can be extracted from FN+1 -FN, as illustrated for a two-dimensional fermion gas.

A virtual pebble game to ensemble average graph rigidity.

PubMed

González, Luis C; Wang, Hui; Livesay, Dennis R; Jacobs, Donald J

2015-01-01

The body-bar Pebble Game (PG) algorithm is commonly used to calculate network rigidity properties in proteins and polymeric materials. To account for fluctuating interactions such as hydrogen bonds, an ensemble of constraint topologies are sampled, and average network properties are obtained by averaging PG characterizations. At a simpler level of sophistication, Maxwell constraint counting (MCC) provides a rigorous lower bound for the number of internal degrees of freedom (DOF) within a body-bar network, and it is commonly employed to test if a molecular structure is globally under-constrained or over-constrained. MCC is a mean field approximation (MFA) that ignores spatial fluctuations of distance constraints by replacing the actual molecular structure by an effective medium that has distance constraints globally distributed with perfect uniform density. The Virtual Pebble Game (VPG) algorithm is a MFA that retains spatial inhomogeneity in the density of constraints on all length scales. Network fluctuations due to distance constraints that may be present or absent based on binary random dynamic variables are suppressed by replacing all possible constraint topology realizations with the probabilities that distance constraints are present. The VPG algorithm is isomorphic to the PG algorithm, where integers for counting "pebbles" placed on vertices or edges in the PG map to real numbers representing the probability to find a pebble. In the VPG, edges are assigned pebble capacities, and pebble movements become a continuous flow of probability within the network. Comparisons between the VPG and average PG results over a test set of proteins and disordered lattices demonstrate the VPG quantitatively estimates the ensemble average PG results well. The VPG performs about 20% faster than one PG, and it provides a pragmatic alternative to averaging PG rigidity characteristics over an ensemble of constraint topologies. The utility of the VPG falls in between the most accurate but slowest method of ensemble averaging over hundreds to thousands of independent PG runs, and the fastest but least accurate MCC.

Ensemble variant interpretation methods to predict enzyme activity and assign pathogenicity in the CAGI4 NAGLU (Human N-acetyl-glucosaminidase) and UBE2I (Human SUMO-ligase) challenges.

PubMed

Yin, Yizhou; Kundu, Kunal; Pal, Lipika R; Moult, John

2017-09-01

CAGI (Critical Assessment of Genome Interpretation) conducts community experiments to determine the state of the art in relating genotype to phenotype. Here, we report results obtained using newly developed ensemble methods to address two CAGI4 challenges: enzyme activity for population missense variants found in NAGLU (Human N-acetyl-glucosaminidase) and random missense mutations in Human UBE2I (Human SUMO E2 ligase), assayed in a high-throughput competitive yeast complementation procedure. The ensemble methods are effective, ranked second for SUMO-ligase and third for NAGLU, according to the CAGI independent assessors. However, in common with other methods used in CAGI, there are large discrepancies between predicted and experimental activities for a subset of variants. Analysis of the structural context provides some insight into these. Post-challenge analysis shows that the ensemble methods are also effective at assigning pathogenicity for the NAGLU variants. In the clinic, providing an estimate of the reliability of pathogenic assignments is the key. We have also used the NAGLU dataset to show that ensemble methods have considerable potential for this task, and are already reliable enough for use with a subset of mutations. © 2017 Wiley Periodicals, Inc.

Creation of the BMA ensemble for SST using a parallel processing technique

NASA Astrophysics Data System (ADS)

Kim, Kwangjin; Lee, Yang Won

2013-10-01

Despite the same purpose, each satellite product has different value because of its inescapable uncertainty. Also the satellite products have been calculated for a long time, and the kinds of the products are various and enormous. So the efforts for reducing the uncertainty and dealing with enormous data will be necessary. In this paper, we create an ensemble Sea Surface Temperature (SST) using MODIS Aqua, MODIS Terra and COMS (Communication Ocean and Meteorological Satellite). We used Bayesian Model Averaging (BMA) as ensemble method. The principle of the BMA is synthesizing the conditional probability density function (PDF) using posterior probability as weight. The posterior probability is estimated using EM algorithm. The BMA PDF is obtained by weighted average. As the result, the ensemble SST showed the lowest RMSE and MAE, which proves the applicability of BMA for satellite data ensemble. As future work, parallel processing techniques using Hadoop framework will be adopted for more efficient computation of very big satellite data.

Bayesian quantitative precipitation forecasts in terms of quantiles

NASA Astrophysics Data System (ADS)

Bentzien, Sabrina; Friederichs, Petra

2014-05-01

Ensemble prediction systems (EPS) for numerical weather predictions on the mesoscale are particularly developed to obtain probabilistic guidance for high impact weather. An EPS not only issues a deterministic future state of the atmosphere but a sample of possible future states. Ensemble postprocessing then translates such a sample of forecasts into probabilistic measures. This study focus on probabilistic quantitative precipitation forecasts in terms of quantiles. Quantiles are particular suitable to describe precipitation at various locations, since no assumption is required on the distribution of precipitation. The focus is on the prediction during high-impact events and related to the Volkswagen Stiftung funded project WEX-MOP (Mesoscale Weather Extremes - Theory, Spatial Modeling and Prediction). Quantile forecasts are derived from the raw ensemble and via quantile regression. Neighborhood method and time-lagging are effective tools to inexpensively increase the ensemble spread, which results in more reliable forecasts especially for extreme precipitation events. Since an EPS provides a large amount of potentially informative predictors, a variable selection is required in order to obtain a stable statistical model. A Bayesian formulation of quantile regression allows for inference about the selection of predictive covariates by the use of appropriate prior distributions. Moreover, the implementation of an additional process layer for the regression parameters accounts for spatial variations of the parameters. Bayesian quantile regression and its spatially adaptive extension is illustrated for the German-focused mesoscale weather prediction ensemble COSMO-DE-EPS, which runs (pre)operationally since December 2010 at the German Meteorological Service (DWD). Objective out-of-sample verification uses the quantile score (QS), a weighted absolute error between quantile forecasts and observations. The QS is a proper scoring function and can be decomposed into reliability, resolutions and uncertainty parts. A quantile reliability plot gives detailed insights in the predictive performance of the quantile forecasts.

A study of fuzzy logic ensemble system performance on face recognition problem

NASA Astrophysics Data System (ADS)

Polyakova, A.; Lipinskiy, L.

2017-02-01

Some problems are difficult to solve by using a single intelligent information technology (IIT). The ensemble of the various data mining (DM) techniques is a set of models which are able to solve the problem by itself, but the combination of which allows increasing the efficiency of the system as a whole. Using the IIT ensembles can improve the reliability and efficiency of the final decision, since it emphasizes on the diversity of its components. The new method of the intellectual informational technology ensemble design is considered in this paper. It is based on the fuzzy logic and is designed to solve the classification and regression problems. The ensemble consists of several data mining algorithms: artificial neural network, support vector machine and decision trees. These algorithms and their ensemble have been tested by solving the face recognition problems. Principal components analysis (PCA) is used for feature selection.

Quantifying nonergodicity in nonautonomous dissipative dynamical systems: An application to climate change

NASA Astrophysics Data System (ADS)

Drótos, Gábor; Bódai, Tamás; Tél, Tamás

2016-08-01

In nonautonomous dynamical systems, like in climate dynamics, an ensemble of trajectories initiated in the remote past defines a unique probability distribution, the natural measure of a snapshot attractor, for any instant of time, but this distribution typically changes in time. In cases with an aperiodic driving, temporal averages taken along a single trajectory would differ from the corresponding ensemble averages even in the infinite-time limit: ergodicity does not hold. It is worth considering this difference, which we call the nonergodic mismatch, by taking time windows of finite length for temporal averaging. We point out that the probability distribution of the nonergodic mismatch is qualitatively different in ergodic and nonergodic cases: its average is zero and typically nonzero, respectively. A main conclusion is that the difference of the average from zero, which we call the bias, is a useful measure of nonergodicity, for any window length. In contrast, the standard deviation of the nonergodic mismatch, which characterizes the spread between different realizations, exhibits a power-law decrease with increasing window length in both ergodic and nonergodic cases, and this implies that temporal and ensemble averages differ in dynamical systems with finite window lengths. It is the average modulus of the nonergodic mismatch, which we call the ergodicity deficit, that represents the expected deviation from fulfilling the equality of temporal and ensemble averages. As an important finding, we demonstrate that the ergodicity deficit cannot be reduced arbitrarily in nonergodic systems. We illustrate via a conceptual climate model that the nonergodic framework may be useful in Earth system dynamics, within which we propose the measure of nonergodicity, i.e., the bias, as an order-parameter-like quantifier of climate change.

Ensemble representations: effects of set size and item heterogeneity on average size perception.

PubMed

Marchant, Alexander P; Simons, Daniel J; de Fockert, Jan W

2013-02-01

Observers can accurately perceive and evaluate the statistical properties of a set of objects, forming what is now known as an ensemble representation. The accuracy and speed with which people can judge the mean size of a set of objects have led to the proposal that ensemble representations of average size can be computed in parallel when attention is distributed across the display. Consistent with this idea, judgments of mean size show little or no decrement in accuracy when the number of objects in the set increases. However, the lack of a set size effect might result from the regularity of the item sizes used in previous studies. Here, we replicate these previous findings, but show that judgments of mean set size become less accurate when set size increases and the heterogeneity of the item sizes increases. This pattern can be explained by assuming that average size judgments are computed using a limited capacity sampling strategy, and it does not necessitate an ensemble representation computed in parallel across all items in a display. Copyright © 2012 Elsevier B.V. All rights reserved.

Characteristics of ion flow in the quiet state of the inner plasma sheet

NASA Technical Reports Server (NTRS)

Angelopoulos, V.; Kennel, C. F.; Coroniti, F. V.; Pellat, R.; Spence, H. E.; Kivelson, M. G.; Walker, R. J.; Baumjohann, W.; Feldman, W. C.; Gosling, J. T.

1993-01-01

We use AMPTE/IRM and ISEE 2 data to study the properties of the high beta plasma sheet, the inner plasma sheet (IPS). Bursty bulk flows (BBFs) are excised from the two databases, and the average flow pattern in the non-BBF (quiet) IPS is constructed. At local midnight this ensemble-average flow is predominantly duskward; closer to the flanks it is mostly earthward. The flow pattern agrees qualitatively with calculations based on the Tsyganenko (1987) model (T87), where the earthward flow is due to the ensemble-average cross tail electric field and the duskward flow is the diamagnetic drift due to an inward pressure gradient. The IPS is on the average in pressure equilibrium with the lobes. Because of its large variance the average flow does not represent the instantaneous flow field. Case studies also show that the non-BBF flow is highly irregular and inherently unsteady, a reason why earthward convection can avoid a pressure balance inconsistency with the lobes. The ensemble distribution of velocities is a fundamental observable of the quiet plasma sheet flow field.

Application of Generalized Feynman-Hellmann Theorem in Quantization of LC Circuit in Thermo Bath

NASA Astrophysics Data System (ADS)

Fan, Hong-Yi; Tang, Xu-Bing

For the quantized LC electric circuit, when taking the Joule thermal effect into account, we think that physical observables should be evaluated in the context of ensemble average. We then use the generalized Feynman-Hellmann theorem for ensemble average to calculate them, which seems convenient. Fluctuation of observables in various LC electric circuits in the presence of thermo bath growing with temperature is exhibited.

Calculating ensemble averaged descriptions of protein rigidity without sampling.

PubMed

González, Luis C; Wang, Hui; Livesay, Dennis R; Jacobs, Donald J

2012-01-01

Previous works have demonstrated that protein rigidity is related to thermodynamic stability, especially under conditions that favor formation of native structure. Mechanical network rigidity properties of a single conformation are efficiently calculated using the integer body-bar Pebble Game (PG) algorithm. However, thermodynamic properties require averaging over many samples from the ensemble of accessible conformations to accurately account for fluctuations in network topology. We have developed a mean field Virtual Pebble Game (VPG) that represents the ensemble of networks by a single effective network. That is, all possible number of distance constraints (or bars) that can form between a pair of rigid bodies is replaced by the average number. The resulting effective network is viewed as having weighted edges, where the weight of an edge quantifies its capacity to absorb degrees of freedom. The VPG is interpreted as a flow problem on this effective network, which eliminates the need to sample. Across a nonredundant dataset of 272 protein structures, we apply the VPG to proteins for the first time. Our results show numerically and visually that the rigidity characterizations of the VPG accurately reflect the ensemble averaged [Formula: see text] properties. This result positions the VPG as an efficient alternative to understand the mechanical role that chemical interactions play in maintaining protein stability.

Resonance Effects in the NASA Transonic Flutter Cascade Facility

NASA Technical Reports Server (NTRS)

Lepicovsky, J.; Capece, V. R.; Ford, C. T.

2003-01-01

Investigations of unsteady pressure loadings on the blades of fans operating near the stall flutter boundary are carried out under simulated conditions in the NASA Transonic Flutter Cascade facility (TFC). It has been observed that for inlet Mach numbers of about 0.8, the cascade flowfield exhibits intense low-frequency pressure oscillations. The origins of these oscillations were not clear. It was speculated that this behavior was either caused by instabilities in the blade separated flow zone or that it was a tunnel resonance phenomenon. It has now been determined that the strong low-frequency oscillations, observed in the TFC facility, are not a cascade phenomenon contributing to blade flutter, but that they are solely caused by the tunnel resonance characteristics. Most likely, the self-induced oscillations originate in the system of exit duct resonators. For sure, the self-induced oscillations can be significantly suppressed for a narrow range of inlet Mach numbers by tuning one of the resonators. A considerable amount of flutter simulation data has been acquired in this facility to date, and therefore it is of interest to know how much this tunnel self-induced flow oscillation influences the experimental data at high subsonic Mach numbers since this facility is being used to simulate flutter in transonic fans. In short, can this body of experimental data still be used reliably to verify computer codes for blade flutter and blade life predictions? To answer this question a study on resonance effects in the NASA TFC facility was carried out. The results, based on spectral and ensemble averaging analysis of the cascade data, showed that the interaction between self-induced oscillations and forced blade motion oscillations is very weak and can generally be neglected. The forced motion data acquired with the mistuned tunnel, when strong self-induced oscillations were present, can be used as reliable forced pressure fluctuations provided that they are extracted from raw data sets by an ensemble averaging procedure.

Comparison of ensemble post-processing approaches, based on empirical and dynamical error modelisation of rainfall-runoff model forecasts

NASA Astrophysics Data System (ADS)

Chardon, J.; Mathevet, T.; Le Lay, M.; Gailhard, J.

2012-04-01

In the context of a national energy company (EDF : Electricité de France), hydro-meteorological forecasts are necessary to ensure safety and security of installations, meet environmental standards and improve water ressources management and decision making. Hydrological ensemble forecasts allow a better representation of meteorological and hydrological forecasts uncertainties and improve human expertise of hydrological forecasts, which is essential to synthesize available informations, coming from different meteorological and hydrological models and human experience. An operational hydrological ensemble forecasting chain has been developed at EDF since 2008 and is being used since 2010 on more than 30 watersheds in France. This ensemble forecasting chain is characterized ensemble pre-processing (rainfall and temperature) and post-processing (streamflow), where a large human expertise is solicited. The aim of this paper is to compare 2 hydrological ensemble post-processing methods developed at EDF in order improve ensemble forecasts reliability (similar to Monatanari &Brath, 2004; Schaefli et al., 2007). The aim of the post-processing methods is to dress hydrological ensemble forecasts with hydrological model uncertainties, based on perfect forecasts. The first method (called empirical approach) is based on a statistical modelisation of empirical error of perfect forecasts, by streamflow sub-samples of quantile class and lead-time. The second method (called dynamical approach) is based on streamflow sub-samples of quantile class and streamflow variation, and lead-time. On a set of 20 watersheds used for operational forecasts, results show that both approaches are necessary to ensure a good post-processing of hydrological ensemble, allowing a good improvement of reliability, skill and sharpness of ensemble forecasts. The comparison of the empirical and dynamical approaches shows the limits of the empirical approach which is not able to take into account hydrological dynamic and processes, i. e. sample heterogeneity. For a same streamflow range corresponds different processes such as rising limbs or recession, where uncertainties are different. The dynamical approach improves reliability, skills and sharpness of forecasts and globally reduces confidence intervals width. When compared in details, the dynamical approach allows a noticeable reduction of confidence intervals during recessions where uncertainty is relatively lower and a slight increase of confidence intervals during rising limbs or snowmelt where uncertainty is greater. The dynamic approach, validated by forecaster's experience that considered the empirical approach not discriminative enough, improved forecaster's confidence and communication of uncertainties. Montanari, A. and Brath, A., (2004). A stochastic approach for assessing the uncertainty of rainfall-runoff simulations. Water Resources Research, 40, W01106, doi:10.1029/2003WR002540. Schaefli, B., Balin Talamba, D. and Musy, A., (2007). Quantifying hydrological modeling errors through a mixture of normal distributions. Journal of Hydrology, 332, 303-315.

Plasticity of the Binding Site of Renin: Optimized Selection of Protein Structures for Ensemble Docking.

PubMed

Strecker, Claas; Meyer, Bernd

2018-05-29

Protein flexibility poses a major challenge to docking of potential ligands in that the binding site can adopt different shapes. Docking algorithms usually keep the protein rigid and only allow the ligand to be treated as flexible. However, a wrong assessment of the shape of the binding pocket can prevent a ligand from adapting a correct pose. Ensemble docking is a simple yet promising method to solve this problem: Ligands are docked into multiple structures, and the results are subsequently merged. Selection of protein structures is a significant factor for this approach. In this work we perform a comprehensive and comparative study evaluating the impact of structure selection on ensemble docking. We perform ensemble docking with several crystal structures and with structures derived from molecular dynamics simulations of renin, an attractive target for antihypertensive drugs. Here, 500 ns of MD simulations revealed binding site shapes not found in any available crystal structure. We evaluate the importance of structure selection for ensemble docking by comparing binding pose prediction, ability to rank actives above nonactives (screening utility), and scoring accuracy. As a result, for ensemble definition k-means clustering appears to be better suited than hierarchical clustering with average linkage. The best performing ensemble consists of four crystal structures and is able to reproduce the native ligand poses better than any individual crystal structure. Moreover this ensemble outperforms 88% of all individual crystal structures in terms of screening utility as well as scoring accuracy. Similarly, ensembles of MD-derived structures perform on average better than 75% of any individual crystal structure in terms of scoring accuracy at all inspected ensembles sizes.

Comparison of the performance and reliability of 18 lumped hydrological models driven by ECMWF rainfall ensemble forecasts: a case study on 29 French catchments

NASA Astrophysics Data System (ADS)

Velázquez, Juan Alberto; Anctil, François; Ramos, Maria-Helena; Perrin, Charles

2010-05-01

An ensemble forecasting system seeks to assess and to communicate the uncertainty of hydrological predictions by proposing, at each time step, an ensemble of forecasts from which one can estimate the probability distribution of the predictant (the probabilistic forecast), in contrast with a single estimate of the flow, for which no distribution is obtainable (the deterministic forecast). In the past years, efforts towards the development of probabilistic hydrological prediction systems were made with the adoption of ensembles of numerical weather predictions (NWPs). The additional information provided by the different available Ensemble Prediction Systems (EPS) was evaluated in a hydrological context on various case studies (see the review by Cloke and Pappenberger, 2009). For example, the European ECMWF-EPS was explored in case studies by Roulin et al. (2005), Bartholmes et al. (2005), Jaun et al. (2008), and Renner et al. (2009). The Canadian EC-EPS was also evaluated by Velázquez et al. (2009). Most of these case studies investigate the ensemble predictions of a given hydrological model, set up over a limited number of catchments. Uncertainty from weather predictions is assessed through the use of meteorological ensembles. However, uncertainty from the tested hydrological model and statistical robustness of the forecasting system when coping with different hydro-meteorological conditions are less frequently evaluated. The aim of this study is to evaluate and compare the performance and the reliability of 18 lumped hydrological models applied to a large number of catchments in an operational ensemble forecasting context. Some of these models were evaluated in a previous study (Perrin et al. 2001) for their ability to simulate streamflow. Results demonstrated that very simple models can achieve a level of performance almost as high (sometimes higher) as models with more parameters. In the present study, we focus on the ability of the hydrological models to provide reliable probabilistic forecasts of streamflow, based on ensemble weather predictions. The models were therefore adapted to run in a forecasting mode, i.e., to update initial conditions according to the last observed discharge at the time of the forecast, and to cope with ensemble weather scenarios. All models are lumped, i.e., the hydrological behavior is integrated over the spatial scale of the catchment, and run at daily time steps. The complexity of tested models varies between 3 and 13 parameters. The models are tested on 29 French catchments. Daily streamflow time series extend over 17 months, from March 2005 to July 2006. Catchment areas range between 1470 km2 and 9390 km2, and represent a variety of hydrological and meteorological conditions. The 12 UTC 10-day ECMWF rainfall ensemble (51 members) was used, which led to daily streamflow forecasts for a 9-day lead time. In order to assess the performance and reliability of the hydrological ensemble predictions, we computed the Continuous Ranked probability Score (CRPS) (Matheson and Winkler, 1976), as well as the reliability diagram (e.g. Wilks, 1995) and the rank histogram (Talagrand et al., 1999). Since the ECMWF deterministic forecasts are also available, the performance of the hydrological forecasting systems was also evaluated by comparing the deterministic score (MAE) with the probabilistic score (CRPS). The results obtained for the 18 hydrological models and the 29 studied catchments are discussed in the perspective of improving the operational use of ensemble forecasting in hydrology. References Bartholmes, J. and Todini, E.: Coupling meteorological and hydrological models for flood forecasting, Hydrol. Earth Syst. Sci., 9, 333-346, 2005. Cloke, H. and Pappenberger, F.: Ensemble Flood Forecasting: A Review. Journal of Hydrology 375 (3-4): 613-626, 2009. Jaun, S., Ahrens, B., Walser, A., Ewen, T., and Schär, C.: A probabilistic view on the August 2005 floods in the upper Rhine catchment, Nat. Hazards Earth Syst. Sci., 8, 281-291, 2008. Matheson, J. E. and Winkler, R. L.: Scoring rules for continuous probability distributions, Manage Sci., 22, 1087-1096, 1976. Perrin, C., Michel C. and Andréassian,V. Does a large number of parameters enhance model performance? Comparative assessment of common catchment model structures on 429 catchments, J. Hydrol., 242, 275-301, 2001. Renner, M., Werner, M. G. F., Rademacher, S., and Sprokkereef, E.: Verification of ensemble flow forecast for the River Rhine, J. Hydrol., 376, 463-475, 2009. Roulin, E. and Vannitsem, S.: Skill of medium-range hydrological ensemble predictions, J. Hydrometeorol., 6, 729-744, 2005. Talagrand, O., Vautard, R., and Strauss, B.: Evaluation of the probabilistic prediction systems, in: Proceedings, ECMWF Workshop on Predictability, Shinfield Park, Reading, Berkshire, ECMWF, 1-25, 1999. Velázquez, J.A., Petit, T., Lavoie, A., Boucher M.-A., Turcotte R., Fortin V., and Anctil, F. : An evaluation of the Canadian global meteorological ensemble prediction system for short-term hydrological forecasting, Hydrol. Earth Syst. Sci., 13, 2221-2231, 2009. Wilks, D. S.: Statistical Methods in the Atmospheric Sciences, Academic Press, San Diego, CA, 465 pp., 1995.

Toward canonical ensemble distribution from self-guided Langevin dynamics simulation

NASA Astrophysics Data System (ADS)

Wu, Xiongwu; Brooks, Bernard R.

2011-04-01

This work derives a quantitative description of the conformational distribution in self-guided Langevin dynamics (SGLD) simulations. SGLD simulations employ guiding forces calculated from local average momentums to enhance low-frequency motion. This enhancement in low-frequency motion dramatically accelerates conformational search efficiency, but also induces certain perturbations in conformational distribution. Through the local averaging, we separate properties of molecular systems into low-frequency and high-frequency portions. The guiding force effect on the conformational distribution is quantitatively described using these low-frequency and high-frequency properties. This quantitative relation provides a way to convert between a canonical ensemble and a self-guided ensemble. Using example systems, we demonstrated how to utilize the relation to obtain canonical ensemble properties and conformational distributions from SGLD simulations. This development makes SGLD not only an efficient approach for conformational searching, but also an accurate means for conformational sampling.

On the v-representability of ensemble densities of electron systems

NASA Astrophysics Data System (ADS)

Gonis, A.; Däne, M.

2018-05-01

Analogously to the case at zero temperature, where the density of the ground state of an interacting many-particle system determines uniquely (within an arbitrary additive constant) the external potential acting on the system, the thermal average of the density over an ensemble defined by the Boltzmann distribution at the minimum of the thermodynamic potential, or the free energy, determines the external potential uniquely (and not just modulo a constant) acting on a system described by this thermodynamic potential or free energy. The paper describes a formal procedure that generates the domain of a constrained search over general ensembles (at zero or elevated temperatures) that lead to a given density, including as a special case a density thermally averaged at a given temperature, and in the case of a v-representable density determines the external potential leading to the ensemble density. As an immediate consequence of the general formalism, the concept of v-representability is extended beyond the hitherto discussed case of ground state densities to encompass excited states as well. Specific application to thermally averaged densities solves the v-representability problem in connection with the Mermin functional in a manner analogous to that in which this problem was recently settled with respect to the Hohenberg and Kohn functional. The main formalism is illustrated with numerical results for ensembles of one-dimensional, non-interacting systems of particles under a harmonic potential.

On the v-representability of ensemble densities of electron systems

DOE PAGES

Gonis, A.; Dane, M.

2017-12-30

Analogously to the case at zero temperature, where the density of the ground state of an interacting many-particle system determines uniquely (within an arbitrary additive constant) the external potential acting on the system, the thermal average of the density over an ensemble defined by the Boltzmann distribution at the minimum of the thermodynamic potential, or the free energy, determines the external potential uniquely (and not just modulo a constant) acting on a system described by this thermodynamic potential or free energy. The study describes a formal procedure that generates the domain of a constrained search over general ensembles (at zeromore » or elevated temperatures) that lead to a given density, including as a special case a density thermally averaged at a given temperature, and in the case of a v-representable density determines the external potential leading to the ensemble density. As an immediate consequence of the general formalism, the concept of v-representability is extended beyond the hitherto discussed case of ground state densities to encompass excited states as well. Specific application to thermally averaged densities solves the v-representability problem in connection with the Mermin functional in a manner analogous to that in which this problem was recently settled with respect to the Hohenberg and Kohn functional. Finally, the main formalism is illustrated with numerical results for ensembles of one-dimensional, non-interacting systems of particles under a harmonic potential.« less

Uncovering representations of sleep-associated hippocampal ensemble spike activity

NASA Astrophysics Data System (ADS)

Chen, Zhe; Grosmark, Andres D.; Penagos, Hector; Wilson, Matthew A.

2016-08-01

Pyramidal neurons in the rodent hippocampus exhibit spatial tuning during spatial navigation, and they are reactivated in specific temporal order during sharp-wave ripples observed in quiet wakefulness or slow wave sleep. However, analyzing representations of sleep-associated hippocampal ensemble spike activity remains a great challenge. In contrast to wake, during sleep there is a complete absence of animal behavior, and the ensemble spike activity is sparse (low occurrence) and fragmental in time. To examine important issues encountered in sleep data analysis, we constructed synthetic sleep-like hippocampal spike data (short epochs, sparse and sporadic firing, compressed timescale) for detailed investigations. Based upon two Bayesian population-decoding methods (one receptive field-based, and the other not), we systematically investigated their representation power and detection reliability. Notably, the receptive-field-free decoding method was found to be well-tuned for hippocampal ensemble spike data in slow wave sleep (SWS), even in the absence of prior behavioral measure or ground truth. Our results showed that in addition to the sample length, bin size, and firing rate, number of active hippocampal pyramidal neurons are critical for reliable representation of the space as well as for detection of spatiotemporal reactivated patterns in SWS or quiet wakefulness.

Post-processing method for wind speed ensemble forecast using wind speed and direction

NASA Astrophysics Data System (ADS)

Sofie Eide, Siri; Bjørnar Bremnes, John; Steinsland, Ingelin

2017-04-01

Statistical methods are widely applied to enhance the quality of both deterministic and ensemble NWP forecasts. In many situations, like wind speed forecasting, most of the predictive information is contained in one variable in the NWP models. However, in statistical calibration of deterministic forecasts it is often seen that including more variables can further improve forecast skill. For ensembles this is rarely taken advantage of, mainly due to that it is generally not straightforward how to include multiple variables. In this study, it is demonstrated how multiple variables can be included in Bayesian model averaging (BMA) by using a flexible regression method for estimating the conditional means. The method is applied to wind speed forecasting at 204 Norwegian stations based on wind speed and direction forecasts from the ECMWF ensemble system. At about 85 % of the sites the ensemble forecasts were improved in terms of CRPS by adding wind direction as predictor compared to only using wind speed. On average the improvements were about 5 %, but mainly for moderate to strong wind situations. For weak wind speeds adding wind direction had more or less neutral impact.

Langevin equation with fluctuating diffusivity: A two-state model

NASA Astrophysics Data System (ADS)

Miyaguchi, Tomoshige; Akimoto, Takuma; Yamamoto, Eiji

2016-07-01

Recently, anomalous subdiffusion, aging, and scatter of the diffusion coefficient have been reported in many single-particle-tracking experiments, though the origins of these behaviors are still elusive. Here, as a model to describe such phenomena, we investigate a Langevin equation with diffusivity fluctuating between a fast and a slow state. Namely, the diffusivity follows a dichotomous stochastic process. We assume that the sojourn time distributions of these two states are given by power laws. It is shown that, for a nonequilibrium ensemble, the ensemble-averaged mean-square displacement (MSD) shows transient subdiffusion. In contrast, the time-averaged MSD shows normal diffusion, but an effective diffusion coefficient transiently shows aging behavior. The propagator is non-Gaussian for short time and converges to a Gaussian distribution in a long-time limit; this convergence to Gaussian is extremely slow for some parameter values. For equilibrium ensembles, both ensemble-averaged and time-averaged MSDs show only normal diffusion and thus we cannot detect any traces of the fluctuating diffusivity with these MSDs. Therefore, as an alternative approach to characterizing the fluctuating diffusivity, the relative standard deviation (RSD) of the time-averaged MSD is utilized and it is shown that the RSD exhibits slow relaxation as a signature of the long-time correlation in the fluctuating diffusivity. Furthermore, it is shown that the RSD is related to a non-Gaussian parameter of the propagator. To obtain these theoretical results, we develop a two-state renewal theory as an analytical tool.

Cloudy Windows: What GCM Ensembles, Reanalyses and Observations Tell Us About Uncertainty in Greenland's Future Climate and Surface Melting

NASA Astrophysics Data System (ADS)

Reusch, D. B.

2016-12-01

Any analysis that wants to use a GCM-based scenario of future climate benefits from knowing how much uncertainty the GCM's inherent variability adds to the development of climate change predictions. This is extra relevant in the polar regions due to the potential of global impacts (e.g., sea level rise) from local (ice sheet) climate changes such as more frequent/intense surface melting. High-resolution, regional-scale models using GCMs for boundary/initial conditions in future scenarios inherit a measure of GCM-derived externally-driven uncertainty. We investigate these uncertainties for the Greenland ice sheet using the 30-member CESM1.0-CAM5-BGC Large Ensemble (CESMLE) for recent (1981-2000) and future (2081-2100, RCP 8.5) decades. Recent simulations are skill-tested against the ERA-Interim reanalysis and AWS observations with results informing future scenarios. We focus on key variables influencing surface melting through decadal climatologies, nonlinear analysis of variability with self-organizing maps (SOMs), regional-scale modeling (Polar WRF), and simple melt models. Relative to the ensemble average, spatially averaged climatological July temperature anomalies over a Greenland ice-sheet/ocean domain are mostly between +/- 0.2 °C. The spatial average hides larger local anomalies of up to +/- 2 °C. The ensemble average itself is 2 °C cooler than ERA-Interim. SOMs extend our diagnostics by providing a concise, objective summary of model variability as a set of generalized patterns. For CESMLE, the SOM patterns summarize the variability of multiple realizations of climate. Changes in pattern frequency by ensemble member show the influence of initial conditions. For example, basic statistical analysis of pattern frequency yields interquartile ranges of 2-4% for individual patterns across the ensemble. In climate terms, this tells us about climate state variability through the range of the ensemble, a potentially significant source of melt-prediction uncertainty. SOMs can also capture the different trajectories of climate due to intramodel variability over time. Polar WRF provides higher resolution regional modeling with improved, polar-centric model physics. Simple melt models allow us to characterize impacts of the upstream uncertainties on estimates of surface melting.

Large ensemble modeling of the last deglacial retreat of the West Antarctic Ice Sheet: comparison of simple and advanced statistical techniques

NASA Astrophysics Data System (ADS)

Pollard, David; Chang, Won; Haran, Murali; Applegate, Patrick; DeConto, Robert

2016-05-01

A 3-D hybrid ice-sheet model is applied to the last deglacial retreat of the West Antarctic Ice Sheet over the last ˜ 20 000 yr. A large ensemble of 625 model runs is used to calibrate the model to modern and geologic data, including reconstructed grounding lines, relative sea-level records, elevation-age data and uplift rates, with an aggregate score computed for each run that measures overall model-data misfit. Two types of statistical methods are used to analyze the large-ensemble results: simple averaging weighted by the aggregate score, and more advanced Bayesian techniques involving Gaussian process-based emulation and calibration, and Markov chain Monte Carlo. The analyses provide sea-level-rise envelopes with well-defined parametric uncertainty bounds, but the simple averaging method only provides robust results with full-factorial parameter sampling in the large ensemble. Results for best-fit parameter ranges and envelopes of equivalent sea-level rise with the simple averaging method agree well with the more advanced techniques. Best-fit parameter ranges confirm earlier values expected from prior model tuning, including large basal sliding coefficients on modern ocean beds.

Training set extension for SVM ensemble in P300-speller with familiar face paradigm.

PubMed

Li, Qi; Shi, Kaiyang; Gao, Ning; Li, Jian; Bai, Ou

2018-03-27

P300-spellers are brain-computer interface (BCI)-based character input systems. Support vector machine (SVM) ensembles are trained with large-scale training sets and used as classifiers in these systems. However, the required large-scale training data necessitate a prolonged collection time for each subject, which results in data collected toward the end of the period being contaminated by the subject's fatigue. This study aimed to develop a method for acquiring more training data based on a collected small training set. A new method was developed in which two corresponding training datasets in two sequences are superposed and averaged to extend the training set. The proposed method was tested offline on a P300-speller with the familiar face paradigm. The SVM ensemble with extended training set achieved 85% classification accuracy for the averaged results of four sequences, and 100% for 11 sequences in the P300-speller. In contrast, the conventional SVM ensemble with non-extended training set achieved only 65% accuracy for four sequences, and 92% for 11 sequences. The SVM ensemble with extended training set achieves higher classification accuracies than the conventional SVM ensemble, which verifies that the proposed method effectively improves the classification performance of BCI P300-spellers, thus enhancing their practicality.

Self-averaging and weak ergodicity breaking of diffusion in heterogeneous media

NASA Astrophysics Data System (ADS)

Russian, Anna; Dentz, Marco; Gouze, Philippe

2017-08-01

Diffusion in natural and engineered media is quantified in terms of stochastic models for the heterogeneity-induced fluctuations of particle motion. However, fundamental properties such as ergodicity and self-averaging and their dependence on the disorder distribution are often not known. Here, we investigate these questions for diffusion in quenched disordered media characterized by spatially varying retardation properties, which account for particle retention due to physical or chemical interactions with the medium. We link self-averaging and ergodicity to the disorder sampling efficiency Rn, which quantifies the number of disorder realizations a noise ensemble may sample in a single disorder realization. Diffusion for disorder scenarios characterized by a finite mean transition time is ergodic and self-averaging for any dimension. The strength of the sample to sample fluctuations decreases with increasing spatial dimension. For an infinite mean transition time, particle motion is weakly ergodicity breaking in any dimension because single particles cannot sample the heterogeneity spectrum in finite time. However, even though the noise ensemble is not representative of the single-particle time statistics, subdiffusive motion in q ≥2 dimensions is self-averaging, which means that the noise ensemble in a single realization samples a representative part of the heterogeneity spectrum.

Lysine acetylation sites prediction using an ensemble of support vector machine classifiers.

PubMed

Xu, Yan; Wang, Xiao-Bo; Ding, Jun; Wu, Ling-Yun; Deng, Nai-Yang

2010-05-07

Lysine acetylation is an essentially reversible and high regulated post-translational modification which regulates diverse protein properties. Experimental identification of acetylation sites is laborious and expensive. Hence, there is significant interest in the development of computational methods for reliable prediction of acetylation sites from amino acid sequences. In this paper we use an ensemble of support vector machine classifiers to perform this work. The experimentally determined acetylation lysine sites are extracted from Swiss-Prot database and scientific literatures. Experiment results show that an ensemble of support vector machine classifiers outperforms single support vector machine classifier and other computational methods such as PAIL and LysAcet on the problem of predicting acetylation lysine sites. The resulting method has been implemented in EnsemblePail, a web server for lysine acetylation sites prediction available at http://www.aporc.org/EnsemblePail/. Copyright (c) 2010 Elsevier Ltd. All rights reserved.

Ensemble Weight Enumerators for Protograph LDPC Codes

NASA Technical Reports Server (NTRS)

Divsalar, Dariush

2006-01-01

Recently LDPC codes with projected graph, or protograph structures have been proposed. In this paper, finite length ensemble weight enumerators for LDPC codes with protograph structures are obtained. Asymptotic results are derived as the block size goes to infinity. In particular we are interested in obtaining ensemble average weight enumerators for protograph LDPC codes which have minimum distance that grows linearly with block size. As with irregular ensembles, linear minimum distance property is sensitive to the proportion of degree-2 variable nodes. In this paper the derived results on ensemble weight enumerators show that linear minimum distance condition on degree distribution of unstructured irregular LDPC codes is a sufficient but not a necessary condition for protograph LDPC codes.

Effect of land model ensemble versus coupled model ensemble on the simulation of precipitation climatology and variability

NASA Astrophysics Data System (ADS)

Wei, Jiangfeng; Dirmeyer, Paul A.; Yang, Zong-Liang; Chen, Haishan

2017-10-01

Through a series of model simulations with an atmospheric general circulation model coupled to three different land surface models, this study investigates the impacts of land model ensembles and coupled model ensemble on precipitation simulation. It is found that coupling an ensemble of land models to an atmospheric model has a very minor impact on the improvement of precipitation climatology and variability, but a simple ensemble average of the precipitation from three individually coupled land-atmosphere models produces better results, especially for precipitation variability. The generally weak impact of land processes on precipitation should be the main reason that the land model ensembles do not improve precipitation simulation. However, if there are big biases in the land surface model or land surface data set, correcting them could improve the simulated climate, especially for well-constrained regional climate simulations.

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.

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...

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

Performance analysis of a Principal Component Analysis ensemble classifier for Emotiv headset P300 spellers.

PubMed

Elsawy, Amr S; Eldawlatly, Seif; Taher, Mohamed; Aly, Gamal M

2014-01-01

The current trend to use Brain-Computer Interfaces (BCIs) with mobile devices mandates the development of efficient EEG data processing methods. In this paper, we demonstrate the performance of a Principal Component Analysis (PCA) ensemble classifier for P300-based spellers. We recorded EEG data from multiple subjects using the Emotiv neuroheadset in the context of a classical oddball P300 speller paradigm. We compare the performance of the proposed ensemble classifier to the performance of traditional feature extraction and classifier methods. Our results demonstrate the capability of the PCA ensemble classifier to classify P300 data recorded using the Emotiv neuroheadset with an average accuracy of 86.29% on cross-validation data. In addition, offline testing of the recorded data reveals an average classification accuracy of 73.3% that is significantly higher than that achieved using traditional methods. Finally, we demonstrate the effect of the parameters of the P300 speller paradigm on the performance of the method.

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.

Applying Multimodel Ensemble from Regional Climate Models for Improving Runoff Projections on Semiarid Regions of Spain

NASA Astrophysics Data System (ADS)

Garcia Galiano, S. G.; Olmos, P.; Giraldo Osorio, J. D.

2015-12-01

In the Mediterranean area, significant changes on temperature and precipitation are expected throughout the century. These trends could exacerbate the existing conditions in regions already vulnerable to climatic variability, reducing the water availability. Improving knowledge about plausible impacts of climate change on water cycle processes at basin scale, is an important step for building adaptive capacity to the impacts in this region, where severe water shortages are expected for the next decades. RCMs ensemble in combination with distributed hydrological models with few parameters, constitutes a valid and robust methodology to increase the reliability of climate and hydrological projections. For reaching this objective, a novel methodology for building Regional Climate Models (RCMs) ensembles of meteorological variables (rainfall an temperatures), was applied. RCMs ensembles are justified for increasing the reliability of climate and hydrological projections. The evaluation of RCMs goodness-of-fit to build the ensemble is based on empirical probability density functions (PDF) extracted from both RCMs dataset and a highly resolution gridded observational dataset, for the time period 1961-1990. The applied method is considering the seasonal and annual variability of the rainfall and temperatures. The RCMs ensembles constitute the input to a distributed hydrological model at basin scale, for assessing the runoff projections. The selected hydrological model is presenting few parameters in order to reduce the uncertainties involved. The study basin corresponds to a head basin of Segura River Basin, located in the South East of Spain. The impacts on runoff and its trend from observational dataset and climate projections, were assessed. Considering the control period 1961-1990, plausible significant decreases in runoff for the time period 2021-2050, were identified.

Reliable oligonucleotide conformational ensemble generation in explicit solvent for force field assessment using reservoir replica exchange molecular dynamics simulations

PubMed Central

Henriksen, Niel M.; Roe, Daniel R.; Cheatham, Thomas E.

2013-01-01

Molecular dynamics force field development and assessment requires a reliable means for obtaining a well-converged conformational ensemble of a molecule in both a time-efficient and cost-effective manner. This remains a challenge for RNA because its rugged energy landscape results in slow conformational sampling and accurate results typically require explicit solvent which increases computational cost. To address this, we performed both traditional and modified replica exchange molecular dynamics simulations on a test system (alanine dipeptide) and an RNA tetramer known to populate A-form-like conformations in solution (single-stranded rGACC). A key focus is on providing the means to demonstrate that convergence is obtained, for example by investigating replica RMSD profiles and/or detailed ensemble analysis through clustering. We found that traditional replica exchange simulations still require prohibitive time and resource expenditures, even when using GPU accelerated hardware, and our results are not well converged even at 2 microseconds of simulation time per replica. In contrast, a modified version of replica exchange, reservoir replica exchange in explicit solvent, showed much better convergence and proved to be both a cost-effective and reliable alternative to the traditional approach. We expect this method will be attractive for future research that requires quantitative conformational analysis from explicitly solvated simulations. PMID:23477537

Reliable oligonucleotide conformational ensemble generation in explicit solvent for force field assessment using reservoir replica exchange molecular dynamics simulations.

PubMed

Henriksen, Niel M; Roe, Daniel R; Cheatham, Thomas E

2013-04-18

Molecular dynamics force field development and assessment requires a reliable means for obtaining a well-converged conformational ensemble of a molecule in both a time-efficient and cost-effective manner. This remains a challenge for RNA because its rugged energy landscape results in slow conformational sampling and accurate results typically require explicit solvent which increases computational cost. To address this, we performed both traditional and modified replica exchange molecular dynamics simulations on a test system (alanine dipeptide) and an RNA tetramer known to populate A-form-like conformations in solution (single-stranded rGACC). A key focus is on providing the means to demonstrate that convergence is obtained, for example, by investigating replica RMSD profiles and/or detailed ensemble analysis through clustering. We found that traditional replica exchange simulations still require prohibitive time and resource expenditures, even when using GPU accelerated hardware, and our results are not well converged even at 2 μs of simulation time per replica. In contrast, a modified version of replica exchange, reservoir replica exchange in explicit solvent, showed much better convergence and proved to be both a cost-effective and reliable alternative to the traditional approach. We expect this method will be attractive for future research that requires quantitative conformational analysis from explicitly solvated simulations.

Quantifying Nucleic Acid Ensembles with X-ray Scattering Interferometry.

PubMed

Shi, Xuesong; Bonilla, Steve; Herschlag, Daniel; Harbury, Pehr

2015-01-01

The conformational ensemble of a macromolecule is the complete description of the macromolecule's solution structures and can reveal important aspects of macromolecular folding, recognition, and function. However, most experimental approaches determine an average or predominant structure, or follow transitions between states that each can only be described by an average structure. Ensembles have been extremely difficult to experimentally characterize. We present the unique advantages and capabilities of a new biophysical technique, X-ray scattering interferometry (XSI), for probing and quantifying structural ensembles. XSI measures the interference of scattered waves from two heavy metal probes attached site specifically to a macromolecule. A Fourier transform of the interference pattern gives the fractional abundance of different probe separations directly representing the multiple conformation states populated by the macromolecule. These probe-probe distance distributions can then be used to define the structural ensemble of the macromolecule. XSI provides accurate, calibrated distance in a model-independent fashion with angstrom scale sensitivity in distances. XSI data can be compared in a straightforward manner to atomic coordinates determined experimentally or predicted by molecular dynamics simulations. We describe the conceptual framework for XSI and provide a detailed protocol for carrying out an XSI experiment. © 2015 Elsevier Inc. All rights reserved.

Insight and Evidence Motivating the Simplification of Dual-Analysis Hybrid Systems into Single-Analysis Hybrid Systems

NASA Technical Reports Server (NTRS)

Todling, Ricardo; Diniz, F. L. R.; Takacs, L. L.; Suarez, M. J.

2018-01-01

Many hybrid data assimilation systems currently used for NWP employ some form of dual-analysis system approach. Typically a hybrid variational analysis is responsible for creating initial conditions for high-resolution forecasts, and an ensemble analysis system is responsible for creating sample perturbations used to form the flow-dependent part of the background error covariance required in the hybrid analysis component. In many of these, the two analysis components employ different methodologies, e.g., variational and ensemble Kalman filter. In such cases, it is not uncommon to have observations treated rather differently between the two analyses components; recentering of the ensemble analysis around the hybrid analysis is used to compensated for such differences. Furthermore, in many cases, the hybrid variational high-resolution system implements some type of four-dimensional approach, whereas the underlying ensemble system relies on a three-dimensional approach, which again introduces discrepancies in the overall system. Connected to these is the expectation that one can reliably estimate observation impact on forecasts issued from hybrid analyses by using an ensemble approach based on the underlying ensemble strategy of dual-analysis systems. Just the realization that the ensemble analysis makes substantially different use of observations as compared to their hybrid counterpart should serve as enough evidence of the implausibility of such expectation. This presentation assembles numerous anecdotal evidence to illustrate the fact that hybrid dual-analysis systems must, at the very minimum, strive for consistent use of the observations in both analysis sub-components. Simpler than that, this work suggests that hybrid systems can reliably be constructed without the need to employ a dual-analysis approach. In practice, the idea of relying on a single analysis system is appealing from a cost-maintenance perspective. More generally, single-analysis systems avoid contradictions such as having to choose one sub-component to generate performance diagnostics to another, possibly not fully consistent, component.

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...

Classifier ensemble construction with rotation forest to improve medical diagnosis performance of machine learning algorithms.

PubMed

Ozcift, Akin; Gulten, Arif

2011-12-01

Improving accuracies of machine learning algorithms is vital in designing high performance computer-aided diagnosis (CADx) systems. Researches have shown that a base classifier performance might be enhanced by ensemble classification strategies. In this study, we construct rotation forest (RF) ensemble classifiers of 30 machine learning algorithms to evaluate their classification performances using Parkinson's, diabetes and heart diseases from literature. While making experiments, first the feature dimension of three datasets is reduced using correlation based feature selection (CFS) algorithm. Second, classification performances of 30 machine learning algorithms are calculated for three datasets. Third, 30 classifier ensembles are constructed based on RF algorithm to assess performances of respective classifiers with the same disease data. All the experiments are carried out with leave-one-out validation strategy and the performances of the 60 algorithms are evaluated using three metrics; classification accuracy (ACC), kappa error (KE) and area under the receiver operating characteristic (ROC) curve (AUC). Base classifiers succeeded 72.15%, 77.52% and 84.43% average accuracies for diabetes, heart and Parkinson's datasets, respectively. As for RF classifier ensembles, they produced average accuracies of 74.47%, 80.49% and 87.13% for respective diseases. RF, a newly proposed classifier ensemble algorithm, might be used to improve accuracy of miscellaneous machine learning algorithms to design advanced CADx systems. Copyright © 2011 Elsevier Ireland Ltd. All rights reserved.

A novel hybrid decomposition-and-ensemble model based on CEEMD and GWO for short-term PM2.5 concentration forecasting

NASA Astrophysics Data System (ADS)

Niu, Mingfei; Wang, Yufang; Sun, Shaolong; Li, Yongwu

2016-06-01

To enhance prediction reliability and accuracy, a hybrid model based on the promising principle of "decomposition and ensemble" and a recently proposed meta-heuristic called grey wolf optimizer (GWO) is introduced for daily PM2.5 concentration forecasting. Compared with existing PM2.5 forecasting methods, this proposed model has improved the prediction accuracy and hit rates of directional prediction. The proposed model involves three main steps, i.e., decomposing the original PM2.5 series into several intrinsic mode functions (IMFs) via complementary ensemble empirical mode decomposition (CEEMD) for simplifying the complex data; individually predicting each IMF with support vector regression (SVR) optimized by GWO; integrating all predicted IMFs for the ensemble result as the final prediction by another SVR optimized by GWO. Seven benchmark models, including single artificial intelligence (AI) models, other decomposition-ensemble models with different decomposition methods and models with the same decomposition-ensemble method but optimized by different algorithms, are considered to verify the superiority of the proposed hybrid model. The empirical study indicates that the proposed hybrid decomposition-ensemble model is remarkably superior to all considered benchmark models for its higher prediction accuracy and hit rates of directional prediction.

The Fukushima-137Cs deposition case study: properties of the multi-model ensemble.

PubMed

Solazzo, E; Galmarini, S

2015-01-01

In this paper we analyse the properties of an eighteen-member ensemble generated by the combination of five atmospheric dispersion modelling systems and six meteorological data sets. The models have been applied to the total deposition of (137)Cs, following the nuclear accident of the Fukushima power plant in March 2011. Analysis is carried out with the scope of determining whether the ensemble is reliable, sufficiently diverse and if its accuracy and precision can be improved. Although ensemble practice is becoming more and more popular in many geophysical applications, good practice guidelines are missing as to how models should be combined for the ensembles to offer an improvement over single model realisations. We show that the ensemble of models share large portions of bias and variance and make use of several techniques to further show that subsets of models can explain the same amount of variance as the full ensemble mean with the advantage of being poorly correlated, allowing to save computational resources and reduce noise (and thus improving accuracy). We further propose and discuss two methods for selecting subsets of skilful and diverse members, and prove that, in the contingency of the present analysis, their mean outscores the full ensemble mean in terms of both accuracy (error) and precision (variance). Copyright © 2014. Published by Elsevier Ltd.

An ensemble of eddy-permitting global ocean reanalyses from the MyOcean project

NASA Astrophysics Data System (ADS)

Masina, Simona; Storto, Andrea; Ferry, Nicolas; Valdivieso, Maria; Haines, Keith; Balmaseda, Magdalena; Zuo, Hao; Drevillon, Marie; Parent, Laurent

2017-08-01

A set of four eddy-permitting global ocean reanalyses produced in the framework of the MyOcean project have been compared over the altimetry period 1993-2011. The main differences among the reanalyses used here come from the data assimilation scheme implemented to control the ocean state by inserting reprocessed observations of sea surface temperature (SST), in situ temperature and salinity profiles, sea level anomaly and sea-ice concentration. A first objective of this work includes assessing the interannual variability and trends for a series of parameters, usually considered in the community as essential ocean variables: SST, sea surface salinity, temperature and salinity averaged over meaningful layers of the water column, sea level, transports across pre-defined sections, and sea ice parameters. The eddy-permitting nature of the global reanalyses allows also to estimate eddy kinetic energy. The results show that in general there is a good consistency between the different reanalyses. An intercomparison against experiments without data assimilation was done during the MyOcean project and we conclude that data assimilation is crucial for correctly simulating some quantities such as regional trends of sea level as well as the eddy kinetic energy. A second objective is to show that the ensemble mean of reanalyses can be evaluated as one single system regarding its reliability in reproducing the climate signals, where both variability and uncertainties are assessed through the ensemble spread and signal-to-noise ratio. The main advantage of having access to several reanalyses differing in the way data assimilation is performed is that it becomes possible to assess part of the total uncertainty. Given the fact that we use very similar ocean models and atmospheric forcing, we can conclude that the spread of the ensemble of reanalyses is mainly representative of our ability to gauge uncertainty in the assimilation methods. This uncertainty changes a lot from one ocean parameter to another, especially in global indices. However, despite several caveats in the design of the multi-system ensemble, the main conclusion from this study is that an eddy-permitting multi-system ensemble approach has become mature and our results provide a first step towards a systematic comparison of eddy-permitting global ocean reanalyses aimed at providing robust conclusions on the recent evolution of the oceanic state.

Evaluating the applicability of using daily forecasts from seasonal prediction systems (SPSs) for agriculture: a case study of Nepal's Terai with the NCEP CFSv2

NASA Astrophysics Data System (ADS)

Jha, Prakash K.; Athanasiadis, Panos; Gualdi, Silvio; Trabucco, Antonio; Mereu, Valentina; Shelia, Vakhtang; Hoogenboom, Gerrit

2018-03-01

Ensemble forecasts from dynamic seasonal prediction systems (SPSs) have the potential to improve decision-making for crop management to help cope with interannual weather variability. Because the reliability of crop yield predictions based on seasonal weather forecasts depends on the quality of the forecasts, it is essential to evaluate forecasts prior to agricultural applications. This study analyses the potential of Climate Forecast System version 2 (CFSv2) in predicting the Indian summer monsoon (ISM) for producing meteorological variables relevant to crop modeling. The focus area was Nepal's Terai region, and the local hindcasts were compared with weather station and reanalysis data. The results showed that the CFSv2 model accurately predicts monthly anomalies of daily maximum and minimum air temperature (Tmax and Tmin) as well as incoming total surface solar radiation (Srad). However, the daily climatologies of the respective CFSv2 hindcasts exhibit significant systematic biases compared to weather station data. The CFSv2 is less capable of predicting monthly precipitation anomalies and simulating the respective intra-seasonal variability over the growing season. Nevertheless, the observed daily climatologies of precipitation fall within the ensemble spread of the respective daily climatologies of CFSv2 hindcasts. These limitations in the CFSv2 seasonal forecasts, primarily in precipitation, restrict the potential application for predicting the interannual variability of crop yield associated with weather variability. Despite these limitations, ensemble averaging of the simulated yield using all CFSv2 members after applying bias correction may lead to satisfactory yield predictions.

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.

Ensemble Deep Learning for Biomedical Time Series Classification

PubMed Central

2016-01-01

Ensemble learning has been proved to improve the generalization ability effectively in both theory and practice. In this paper, we briefly outline the current status of research on it first. Then, a new deep neural network-based ensemble method that integrates filtering views, local views, distorted views, explicit training, implicit training, subview prediction, and Simple Average is proposed for biomedical time series classification. Finally, we validate its effectiveness on the Chinese Cardiovascular Disease Database containing a large number of electrocardiogram recordings. The experimental results show that the proposed method has certain advantages compared to some well-known ensemble methods, such as Bagging and AdaBoost. PMID:27725828

On estimating attenuation from the amplitude of the spectrally whitened ambient seismic field

NASA Astrophysics Data System (ADS)

Weemstra, Cornelis; Westra, Willem; Snieder, Roel; Boschi, Lapo

2014-06-01

Measuring attenuation on the basis of interferometric, receiver-receiver surface waves is a non-trivial task: the amplitude, more than the phase, of ensemble-averaged cross-correlations is strongly affected by non-uniformities in the ambient wavefield. In addition, ambient noise data are typically pre-processed in ways that affect the amplitude itself. Some authors have recently attempted to measure attenuation in receiver-receiver cross-correlations obtained after the usual pre-processing of seismic ambient-noise records, including, most notably, spectral whitening. Spectral whitening replaces the cross-spectrum with a unit amplitude spectrum. It is generally assumed that cross-terms have cancelled each other prior to spectral whitening. Cross-terms are peaks in the cross-correlation due to simultaneously acting noise sources, that is, spurious traveltime delays due to constructive interference of signal coming from different sources. Cancellation of these cross-terms is a requirement for the successful retrieval of interferometric receiver-receiver signal and results from ensemble averaging. In practice, ensemble averaging is replaced by integrating over sufficiently long time or averaging over several cross-correlation windows. Contrary to the general assumption, we show in this study that cross-terms are not required to cancel each other prior to spectral whitening, but may also cancel each other after the whitening procedure. Specifically, we derive an analytic approximation for the amplitude difference associated with the reversed order of cancellation and normalization. Our approximation shows that an amplitude decrease results from the reversed order. This decrease is predominantly non-linear at small receiver-receiver distances: at distances smaller than approximately two wavelengths, whitening prior to ensemble averaging causes a significantly stronger decay of the cross-spectrum.

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.

Perception of ensemble statistics requires attention.

PubMed

Jackson-Nielsen, Molly; Cohen, Michael A; Pitts, Michael A

2017-02-01

To overcome inherent limitations in perceptual bandwidth, many aspects of the visual world are represented as summary statistics (e.g., average size, orientation, or density of objects). Here, we investigated the relationship between summary (ensemble) statistics and visual attention. Recently, it was claimed that one ensemble statistic in particular, color diversity, can be perceived without focal attention. However, a broader debate exists over the attentional requirements of conscious perception, and it is possible that some form of attention is necessary for ensemble perception. To test this idea, we employed a modified inattentional blindness paradigm and found that multiple types of summary statistics (color and size) often go unnoticed without attention. In addition, we found attentional costs in dual-task situations, further implicating a role for attention in statistical perception. Overall, we conclude that while visual ensembles may be processed efficiently, some amount of attention is necessary for conscious perception of ensemble statistics. Copyright © 2016 Elsevier Inc. All rights reserved.

Genetic programming based ensemble system for microarray data classification.

PubMed

Liu, Kun-Hong; Tong, Muchenxuan; Xie, Shu-Tong; Yee Ng, Vincent To

2015-01-01

Recently, more and more machine learning techniques have been applied to microarray data analysis. The aim of this study is to propose a genetic programming (GP) based new ensemble system (named GPES), which can be used to effectively classify different types of cancers. Decision trees are deployed as base classifiers in this ensemble framework with three operators: Min, Max, and Average. Each individual of the GP is an ensemble system, and they become more and more accurate in the evolutionary process. The feature selection technique and balanced subsampling technique are applied to increase the diversity in each ensemble system. The final ensemble committee is selected by a forward search algorithm, which is shown to be capable of fitting data automatically. The performance of GPES is evaluated using five binary class and six multiclass microarray datasets, and results show that the algorithm can achieve better results in most cases compared with some other ensemble systems. By using elaborate base classifiers or applying other sampling techniques, the performance of GPES may be further improved.

Genetic Programming Based Ensemble System for Microarray Data Classification

PubMed Central

Liu, Kun-Hong; Tong, Muchenxuan; Xie, Shu-Tong; Yee Ng, Vincent To

2015-01-01

Recently, more and more machine learning techniques have been applied to microarray data analysis. The aim of this study is to propose a genetic programming (GP) based new ensemble system (named GPES), which can be used to effectively classify different types of cancers. Decision trees are deployed as base classifiers in this ensemble framework with three operators: Min, Max, and Average. Each individual of the GP is an ensemble system, and they become more and more accurate in the evolutionary process. The feature selection technique and balanced subsampling technique are applied to increase the diversity in each ensemble system. The final ensemble committee is selected by a forward search algorithm, which is shown to be capable of fitting data automatically. The performance of GPES is evaluated using five binary class and six multiclass microarray datasets, and results show that the algorithm can achieve better results in most cases compared with some other ensemble systems. By using elaborate base classifiers or applying other sampling techniques, the performance of GPES may be further improved. PMID:25810748

Using ensemble of classifiers for predicting HIV protease cleavage sites in proteins.

PubMed

Nanni, Loris; Lumini, Alessandra

2009-03-01

The focus of this work is the use of ensembles of classifiers for predicting HIV protease cleavage sites in proteins. Due to the complex relationships in the biological data, several recent works show that often ensembles of learning algorithms outperform stand-alone methods. We show that the fusion of approaches based on different encoding models can be useful for improving the performance of this classification problem. In particular, in this work four different feature encodings for peptides are described and tested. An extensive evaluation on a large dataset according to a blind testing protocol is reported which demonstrates how different feature extraction methods and classifiers can be combined for obtaining a robust and reliable system. The comparison with other stand-alone approaches allows quantifying the performance improvement obtained by the ensembles proposed in this work.

Ensemble of classifiers for confidence-rated classification of NDE signal

NASA Astrophysics Data System (ADS)

Banerjee, Portia; Safdarnejad, Seyed; Udpa, Lalita; Udpa, Satish

2016-02-01

Ensemble of classifiers in general, aims to improve classification accuracy by combining results from multiple weak hypotheses into a single strong classifier through weighted majority voting. Improved versions of ensemble of classifiers generate self-rated confidence scores which estimate the reliability of each of its prediction and boost the classifier using these confidence-rated predictions. However, such a confidence metric is based only on the rate of correct classification. In existing works, although ensemble of classifiers has been widely used in computational intelligence, the effect of all factors of unreliability on the confidence of classification is highly overlooked. With relevance to NDE, classification results are affected by inherent ambiguity of classifica-tion, non-discriminative features, inadequate training samples and noise due to measurement. In this paper, we extend the existing ensemble classification by maximizing confidence of every classification decision in addition to minimizing the classification error. Initial results of the approach on data from eddy current inspection show improvement in classification performance of defect and non-defect indications.

Large Eddy simulation of turbulence: A subgrid scale model including shear, vorticity, rotation, and buoyancy

NASA Technical Reports Server (NTRS)

Canuto, V. M.

1994-01-01

The Reynolds numbers that characterize geophysical and astrophysical turbulence (Re approximately equals 10(exp 8) for the planetary boundary layer and Re approximately equals 10(exp 14) for the Sun's interior) are too large to allow a direct numerical simulation (DNS) of the fundamental Navier-Stokes and temperature equations. In fact, the spatial number of grid points N approximately Re(exp 9/4) exceeds the computational capability of today's supercomputers. Alternative treatments are the ensemble-time average approach, and/or the volume average approach. Since the first method (Reynolds stress approach) is largely analytical, the resulting turbulence equations entail manageable computational requirements and can thus be linked to a stellar evolutionary code or, in the geophysical case, to general circulation models. In the volume average approach, one carries out a large eddy simulation (LES) which resolves numerically the largest scales, while the unresolved scales must be treated theoretically with a subgrid scale model (SGS). Contrary to the ensemble average approach, the LES+SGS approach has considerable computational requirements. Even if this prevents (for the time being) a LES+SGS model to be linked to stellar or geophysical codes, it is still of the greatest relevance as an 'experimental tool' to be used, inter alia, to improve the parameterizations needed in the ensemble average approach. Such a methodology has been successfully adopted in studies of the convective planetary boundary layer. Experienc e with the LES+SGS approach from different fields has shown that its reliability depends on the healthiness of the SGS model for numerical stability as well as for physical completeness. At present, the most widely used SGS model, the Smagorinsky model, accounts for the effect of the shear induced by the large resolved scales on the unresolved scales but does not account for the effects of buoyancy, anisotropy, rotation, and stable stratification. The latter phenomenon, which affects both geophysical and astrophysical turbulence (e.g., oceanic structure and convective overshooting in stars), has been singularly difficult to account for in turbulence modeling. For example, the widely used model of Deardorff has not been confirmed by recent LES results. As of today, there is no SGS model capable of incorporating buoyancy, rotation, shear, anistropy, and stable stratification (gravity waves). In this paper, we construct such a model which we call CM (complete model). We also present a hierarchy of simpler algebraic models (called AM) of varying complexity. Finally, we present a set of models which are simplified even further (called SM), the simplest of which is the Smagorinsky-Lilly model. The incorporation of these models into the presently available LES codes should begin with the SM, to be followed by the AM and finally by the CM.

Large Eddy simulation of turbulence: A subgrid scale model including shear, vorticity, rotation, and buoyancy

NASA Astrophysics Data System (ADS)

Canuto, V. M.

1994-06-01

The Reynolds numbers that characterize geophysical and astrophysical turbulence (Re approximately equals 108 for the planetary boundary layer and Re approximately equals 1014 for the Sun's interior) are too large to allow a direct numerical simulation (DNS) of the fundamental Navier-Stokes and temperature equations. In fact, the spatial number of grid points N approximately Re9/4 exceeds the computational capability of today's supercomputers. Alternative treatments are the ensemble-time average approach, and/or the volume average approach. Since the first method (Reynolds stress approach) is largely analytical, the resulting turbulence equations entail manageable computational requirements and can thus be linked to a stellar evolutionary code or, in the geophysical case, to general circulation models. In the volume average approach, one carries out a large eddy simulation (LES) which resolves numerically the largest scales, while the unresolved scales must be treated theoretically with a subgrid scale model (SGS). Contrary to the ensemble average approach, the LES+SGS approach has considerable computational requirements. Even if this prevents (for the time being) a LES+SGS model to be linked to stellar or geophysical codes, it is still of the greatest relevance as an 'experimental tool' to be used, inter alia, to improve the parameterizations needed in the ensemble average approach. Such a methodology has been successfully adopted in studies of the convective planetary boundary layer. Experienc e with the LES+SGS approach from different fields has shown that its reliability depends on the healthiness of the SGS model for numerical stability as well as for physical completeness. At present, the most widely used SGS model, the Smagorinsky model, accounts for the effect of the shear induced by the large resolved scales on the unresolved scales but does not account for the effects of buoyancy, anisotropy, rotation, and stable stratification. The latter phenomenon, which affects both geophysical and astrophysical turbulence (e.g., oceanic structure and convective overshooting in stars), has been singularly difficult to account for in turbulence modeling. For example, the widely used model of Deardorff has not been confirmed by recent LES results. As of today, there is no SGS model capable of incorporating buoyancy, rotation, shear, anistropy, and stable stratification (gravity waves). In this paper, we construct such a model which we call CM (complete model). We also present a hierarchy of simpler algebraic models (called AM) of varying complexity. Finally, we present a set of models which are simplified even further (called SM), the simplest of which is the Smagorinsky-Lilly model. The incorporation of these models into the presently available LES codes should begin with the SM, to be followed by the AM and finally by the CM.

Verifying and Postprocesing the Ensemble Spread-Error Relationship

NASA Astrophysics Data System (ADS)

Hopson, Tom; Knievel, Jason; Liu, Yubao; Roux, Gregory; Wu, Wanli

2013-04-01

With the increased utilization of ensemble forecasts in weather and hydrologic applications, there is a need to verify their benefit over less expensive deterministic forecasts. One such potential benefit of ensemble systems is their capacity to forecast their own forecast error through the ensemble spread-error relationship. The paper begins by revisiting the limitations of the Pearson correlation alone in assessing this relationship. Next, we introduce two new metrics to consider in assessing the utility an ensemble's varying dispersion. We argue there are two aspects of an ensemble's dispersion that should be assessed. First, and perhaps more fundamentally: is there enough variability in the ensembles dispersion to justify the maintenance of an expensive ensemble prediction system (EPS), irrespective of whether the EPS is well-calibrated or not? To diagnose this, the factor that controls the theoretical upper limit of the spread-error correlation can be useful. Secondly, does the variable dispersion of an ensemble relate to variable expectation of forecast error? Representing the spread-error correlation in relation to its theoretical limit can provide a simple diagnostic of this attribute. A context for these concepts is provided by assessing two operational ensembles: 30-member Western US temperature forecasts for the U.S. Army Test and Evaluation Command and 51-member Brahmaputra River flow forecasts of the Climate Forecast and Applications Project for Bangladesh. Both of these systems utilize a postprocessing technique based on quantile regression (QR) under a step-wise forward selection framework leading to ensemble forecasts with both good reliability and sharpness. In addition, the methodology utilizes the ensemble's ability to self-diagnose forecast instability to produce calibrated forecasts with informative skill-spread relationships. We will describe both ensemble systems briefly, review the steps used to calibrate the ensemble forecast, and present verification statistics using error-spread metrics, along with figures from operational ensemble forecasts before and after calibration.

Fidelity decay of the two-level bosonic embedded ensembles of random matrices

NASA Astrophysics Data System (ADS)

Benet, Luis; Hernández-Quiroz, Saúl; Seligman, Thomas H.

2010-12-01

We study the fidelity decay of the k-body embedded ensembles of random matrices for bosons distributed over two single-particle states. Fidelity is defined in terms of a reference Hamiltonian, which is a purely diagonal matrix consisting of a fixed one-body term and includes the diagonal of the perturbing k-body embedded ensemble matrix, and the perturbed Hamiltonian which includes the residual off-diagonal elements of the k-body interaction. This choice mimics the typical mean-field basis used in many calculations. We study separately the cases k = 2 and 3. We compute the ensemble-averaged fidelity decay as well as the fidelity of typical members with respect to an initial random state. Average fidelity displays a revival at the Heisenberg time, t = tH = 1, and a freeze in the fidelity decay, during which periodic revivals of period tH are observed. We obtain the relevant scaling properties with respect to the number of bosons and the strength of the perturbation. For certain members of the ensemble, we find that the period of the revivals during the freeze of fidelity occurs at fractional times of tH. These fractional periodic revivals are related to the dominance of specific k-body terms in the perturbation.

Canonical-ensemble state-averaged complete active space self-consistent field (SA-CASSCF) strategy for problems with more diabatic than adiabatic states: Charge-bond resonance in monomethine cyanines

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

Olsen, Seth, E-mail: seth.olsen@uq.edu.au

2015-01-28

This paper reviews basic results from a theory of the a priori classical probabilities (weights) in state-averaged complete active space self-consistent field (SA-CASSCF) models. It addresses how the classical probabilities limit the invariance of the self-consistency condition to transformations of the complete active space configuration interaction (CAS-CI) problem. Such transformations are of interest for choosing representations of the SA-CASSCF solution that are diabatic with respect to some interaction. I achieve the known result that a SA-CASSCF can be self-consistently transformed only within degenerate subspaces of the CAS-CI ensemble density matrix. For uniformly distributed (“microcanonical”) SA-CASSCF ensembles, self-consistency is invariant tomore » any unitary CAS-CI transformation that acts locally on the ensemble support. Most SA-CASSCF applications in current literature are microcanonical. A problem with microcanonical SA-CASSCF models for problems with “more diabatic than adiabatic” states is described. The problem is that not all diabatic energies and couplings are self-consistently resolvable. A canonical-ensemble SA-CASSCF strategy is proposed to solve the problem. For canonical-ensemble SA-CASSCF, the equilibrated ensemble is a Boltzmann density matrix parametrized by its own CAS-CI Hamiltonian and a Lagrange multiplier acting as an inverse “temperature,” unrelated to the physical temperature. Like the convergence criterion for microcanonical-ensemble SA-CASSCF, the equilibration condition for canonical-ensemble SA-CASSCF is invariant to transformations that act locally on the ensemble CAS-CI density matrix. The advantage of a canonical-ensemble description is that more adiabatic states can be included in the support of the ensemble without running into convergence problems. The constraint on the dimensionality of the problem is relieved by the introduction of an energy constraint. The method is illustrated with a complete active space valence-bond (CASVB) analysis of the charge/bond resonance electronic structure of a monomethine cyanine: Michler’s hydrol blue. The diabatic CASVB representation is shown to vary weakly for “temperatures” corresponding to visible photon energies. Canonical-ensemble SA-CASSCF enables the resolution of energies and couplings for all covalent and ionic CASVB structures contributing to the SA-CASSCF ensemble. The CASVB solution describes resonance of charge- and bond-localized electronic structures interacting via bridge resonance superexchange. The resonance couplings can be separated into channels associated with either covalent charge delocalization or chemical bonding interactions, with the latter significantly stronger than the former.« less

Canonical-ensemble state-averaged complete active space self-consistent field (SA-CASSCF) strategy for problems with more diabatic than adiabatic states: charge-bond resonance in monomethine cyanines.

PubMed

Olsen, Seth

2015-01-28

This paper reviews basic results from a theory of the a priori classical probabilities (weights) in state-averaged complete active space self-consistent field (SA-CASSCF) models. It addresses how the classical probabilities limit the invariance of the self-consistency condition to transformations of the complete active space configuration interaction (CAS-CI) problem. Such transformations are of interest for choosing representations of the SA-CASSCF solution that are diabatic with respect to some interaction. I achieve the known result that a SA-CASSCF can be self-consistently transformed only within degenerate subspaces of the CAS-CI ensemble density matrix. For uniformly distributed ("microcanonical") SA-CASSCF ensembles, self-consistency is invariant to any unitary CAS-CI transformation that acts locally on the ensemble support. Most SA-CASSCF applications in current literature are microcanonical. A problem with microcanonical SA-CASSCF models for problems with "more diabatic than adiabatic" states is described. The problem is that not all diabatic energies and couplings are self-consistently resolvable. A canonical-ensemble SA-CASSCF strategy is proposed to solve the problem. For canonical-ensemble SA-CASSCF, the equilibrated ensemble is a Boltzmann density matrix parametrized by its own CAS-CI Hamiltonian and a Lagrange multiplier acting as an inverse "temperature," unrelated to the physical temperature. Like the convergence criterion for microcanonical-ensemble SA-CASSCF, the equilibration condition for canonical-ensemble SA-CASSCF is invariant to transformations that act locally on the ensemble CAS-CI density matrix. The advantage of a canonical-ensemble description is that more adiabatic states can be included in the support of the ensemble without running into convergence problems. The constraint on the dimensionality of the problem is relieved by the introduction of an energy constraint. The method is illustrated with a complete active space valence-bond (CASVB) analysis of the charge/bond resonance electronic structure of a monomethine cyanine: Michler's hydrol blue. The diabatic CASVB representation is shown to vary weakly for "temperatures" corresponding to visible photon energies. Canonical-ensemble SA-CASSCF enables the resolution of energies and couplings for all covalent and ionic CASVB structures contributing to the SA-CASSCF ensemble. The CASVB solution describes resonance of charge- and bond-localized electronic structures interacting via bridge resonance superexchange. The resonance couplings can be separated into channels associated with either covalent charge delocalization or chemical bonding interactions, with the latter significantly stronger than the former.

Decadal climate predictions improved by ocean ensemble dispersion filtering

NASA Astrophysics Data System (ADS)

Kadow, C.; Illing, S.; Kröner, I.; Ulbrich, U.; Cubasch, U.

2017-06-01

Decadal predictions by Earth system models aim to capture the state and phase of the climate several years in advance. Atmosphere-ocean interaction plays an important role for such climate forecasts. While short-term weather forecasts represent an initial value problem and long-term climate projections represent a boundary condition problem, the decadal climate prediction falls in-between these two time scales. In recent years, more precise initialization techniques of coupled Earth system models and increased ensemble sizes have improved decadal predictions. However, climate models in general start losing the initialized signal and its predictive skill from one forecast year to the next. Here we show that the climate prediction skill of an Earth system model can be improved by a shift of the ocean state toward the ensemble mean of its individual members at seasonal intervals. We found that this procedure, called ensemble dispersion filter, results in more accurate results than the standard decadal prediction. Global mean and regional temperature, precipitation, and winter cyclone predictions show an increased skill up to 5 years ahead. Furthermore, the novel technique outperforms predictions with larger ensembles and higher resolution. Our results demonstrate how decadal climate predictions benefit from ocean ensemble dispersion filtering toward the ensemble mean.