Argumentation Based Joint Learning: A Novel Ensemble Learning Approach
Xu, Junyi; Yao, Li; Li, Le
2015-01-01
Recently, ensemble learning methods have been widely used to improve classification performance in machine learning. In this paper, we present a novel ensemble learning method: argumentation based multi-agent joint learning (AMAJL), which integrates ideas from multi-agent argumentation, ensemble learning, and association rule mining. In AMAJL, argumentation technology is introduced as an ensemble strategy to integrate multiple base classifiers and generate a high performance ensemble classifier. We design an argumentation framework named Arena as a communication platform for knowledge integration. Through argumentation based joint learning, high quality individual knowledge can be extracted, and thus a refined global knowledge base can be generated and used independently for classification. We perform numerous experiments on multiple public datasets using AMAJL and other benchmark methods. The results demonstrate that our method can effectively extract high quality knowledge for ensemble classifier and improve the performance of classification. PMID:25966359
Quantum entanglement at ambient conditions in a macroscopic solid-state spin ensemble.
Klimov, Paul V; Falk, Abram L; Christle, David J; Dobrovitski, Viatcheslav V; Awschalom, David D
2015-11-01
Entanglement is a key resource for quantum computers, quantum-communication networks, and high-precision sensors. Macroscopic spin ensembles have been historically important in the development of quantum algorithms for these prospective technologies and remain strong candidates for implementing them today. This strength derives from their long-lived quantum coherence, strong signal, and ability to couple collectively to external degrees of freedom. Nonetheless, preparing ensembles of genuinely entangled spin states has required high magnetic fields and cryogenic temperatures or photochemical reactions. We demonstrate that entanglement can be realized in solid-state spin ensembles at ambient conditions. We use hybrid registers comprising of electron-nuclear spin pairs that are localized at color-center defects in a commercial SiC wafer. We optically initialize 10(3) identical registers in a 40-μm(3) volume (with [Formula: see text] fidelity) and deterministically prepare them into the maximally entangled Bell states (with 0.88 ± 0.07 fidelity). To verify entanglement, we develop a register-specific quantum-state tomography protocol. The entanglement of a macroscopic solid-state spin ensemble at ambient conditions represents an important step toward practical quantum technology.
Quantum entanglement at ambient conditions in a macroscopic solid-state spin ensemble
Klimov, Paul V.; Falk, Abram L.; Christle, David J.; Dobrovitski, Viatcheslav V.; Awschalom, David D.
2015-01-01
Entanglement is a key resource for quantum computers, quantum-communication networks, and high-precision sensors. Macroscopic spin ensembles have been historically important in the development of quantum algorithms for these prospective technologies and remain strong candidates for implementing them today. This strength derives from their long-lived quantum coherence, strong signal, and ability to couple collectively to external degrees of freedom. Nonetheless, preparing ensembles of genuinely entangled spin states has required high magnetic fields and cryogenic temperatures or photochemical reactions. We demonstrate that entanglement can be realized in solid-state spin ensembles at ambient conditions. We use hybrid registers comprising of electron-nuclear spin pairs that are localized at color-center defects in a commercial SiC wafer. We optically initialize 103 identical registers in a 40-μm3 volume (with 0.95−0.07+0.05 fidelity) and deterministically prepare them into the maximally entangled Bell states (with 0.88 ± 0.07 fidelity). To verify entanglement, we develop a register-specific quantum-state tomography protocol. The entanglement of a macroscopic solid-state spin ensemble at ambient conditions represents an important step toward practical quantum technology. PMID:26702444
Impact of distributions on the archetypes and prototypes in heterogeneous nanoparticle ensembles.
Fernandez, Michael; Wilson, Hugh F; Barnard, Amanda S
2017-01-05
The magnitude and complexity of the structural and functional data available on nanomaterials requires data analytics, statistical analysis and information technology to drive discovery. We demonstrate that multivariate statistical analysis can recognise the sets of truly significant nanostructures and their most relevant properties in heterogeneous ensembles with different probability distributions. The prototypical and archetypal nanostructures of five virtual ensembles of Si quantum dots (SiQDs) with Boltzmann, frequency, normal, Poisson and random distributions are identified using clustering and archetypal analysis, where we find that their diversity is defined by size and shape, regardless of the type of distribution. At the complex hull of the SiQD ensembles, simple configuration archetypes can efficiently describe a large number of SiQDs, whereas more complex shapes are needed to represent the average ordering of the ensembles. This approach provides a route towards the characterisation of computationally intractable virtual nanomaterial spaces, which can convert big data into smart data, and significantly reduce the workload to simulate experimentally relevant virtual samples.
NASA Astrophysics Data System (ADS)
Yakovlev, Egor V.; Troshina, Anna V.; Korsakova, Sofia A.; Andronik, Mikhail; Rodionov, Ilya A.; Aliev, Ismail N.; Zaytsev, Kirill I.; Cherkasova, Olga P.; Tuchin, Valery V.; Yurchenko, Stanislav O.
2018-04-01
Colloidal suspensions and tunable self-assembly of colloidal particles attract a great interest in recent years. In this paper, we propose a new setup and technology for studies of self-assembly of colloidal particles, interection of which between themselves is tuned by external rotating electric fields. We reveal wide prospectives of electric field employment for tunable self-assembly, from suspensions of inorganic particles to ensembles of biological cells. These results make enable particle-resolved studies of various collective phenomena and fundamental processes in many-particle systems in equilibrium state and far from it, while the dynamics can be resolved at the level of individual particles using video microscopy. For the first time, we demonstrate that, apart from ability to prepare photonic crystalline films of inorganic silica particles, the tunable self-assembly provides a novel technological way for manipulation with ensembles of biological cells by control of interactions between them.
Clustering-Based Ensemble Learning for Activity Recognition in Smart Homes
Jurek, Anna; Nugent, Chris; Bi, Yaxin; Wu, Shengli
2014-01-01
Application of sensor-based technology within activity monitoring systems is becoming a popular technique within the smart environment paradigm. Nevertheless, the use of such an approach generates complex constructs of data, which subsequently requires the use of intricate activity recognition techniques to automatically infer the underlying activity. This paper explores a cluster-based ensemble method as a new solution for the purposes of activity recognition within smart environments. With this approach activities are modelled as collections of clusters built on different subsets of features. A classification process is performed by assigning a new instance to its closest cluster from each collection. Two different sensor data representations have been investigated, namely numeric and binary. Following the evaluation of the proposed methodology it has been demonstrated that the cluster-based ensemble method can be successfully applied as a viable option for activity recognition. Results following exposure to data collected from a range of activities indicated that the ensemble method had the ability to perform with accuracies of 94.2% and 97.5% for numeric and binary data, respectively. These results outperformed a range of single classifiers considered as benchmarks. PMID:25014095
Clustering-based ensemble learning for activity recognition in smart homes.
Jurek, Anna; Nugent, Chris; Bi, Yaxin; Wu, Shengli
2014-07-10
Application of sensor-based technology within activity monitoring systems is becoming a popular technique within the smart environment paradigm. Nevertheless, the use of such an approach generates complex constructs of data, which subsequently requires the use of intricate activity recognition techniques to automatically infer the underlying activity. This paper explores a cluster-based ensemble method as a new solution for the purposes of activity recognition within smart environments. With this approach activities are modelled as collections of clusters built on different subsets of features. A classification process is performed by assigning a new instance to its closest cluster from each collection. Two different sensor data representations have been investigated, namely numeric and binary. Following the evaluation of the proposed methodology it has been demonstrated that the cluster-based ensemble method can be successfully applied as a viable option for activity recognition. Results following exposure to data collected from a range of activities indicated that the ensemble method had the ability to perform with accuracies of 94.2% and 97.5% for numeric and binary data, respectively. These results outperformed a range of single classifiers considered as benchmarks.
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.
Application of quality function deployment in defense technology development
NASA Astrophysics Data System (ADS)
Cornejo, Estrella De Maria Forster
1998-12-01
Introduction. As advances in aviation technology take place, the research community recognizes, and the operator demands that the progress in technology be integrated with the human component of the same, the aircrew. Integrative programs are primarily concerned with three sub-systems: the operator, the aircraft, and the cockpit. To accomplish their integration, a "dialogue" between the various disciplines addressing these aspects of the weapon system is indispensable. Such dialogue is theorized to be possible via Quality Function Deployment (QFD). QFD emphasizes an understanding of the relationships between the requirements of the aircrew and the technology the research and engineering community provides. In establishing these relationships, program management concerns such as need, applicability, affordability, and transition of the technology are addressed. Procedures. QFD was incorporated in a Performance Methodology (PMM). This methodology associates a particular technology's Measures of Performance (MOP) and the overall weapon system's Measures of Effectiveness (MOE) to which it is applied. Incorporation of QFD in the PMM was hypothesized to result in an improved PMM (Q-PMM) that would address both, the aircrew's interests and those of program management. Both methodologies were performed. The g-ensemble was selected as the technology of interest. The Standard and Combat Edge designs were examined for comparison purposes. Technology MOPs were ranked in order of importance in accordance to both the PMM and its proposed improvement, the Q-PMM. These methodologies were then evaluated by way of an experiment in the human centrifuge. This experiment was to answer two questions: Is there a relationship between the technology's MOP and the aircraft's MOEs? Given a MOP-MOE relationship, is there a difference between the two ensembles? Findings. The Q-PMM was superior to the PMM in addressing customer's requirements. The Q-PMM was superior to the PMM in addressing program management concerns. The Q-PMM provided an improvement in defining the MOPs that would best describe the overall system MOEs. Both, MOP-MOE associations and a basis of comparison between the two ensembles were elucidated. Conclusion. The findings demonstrated QFD to be an effective approach to defense technology development.
Ensembl Genomes 2013: scaling up access to genome-wide data
USDA-ARS?s Scientific Manuscript database
Ensembl Genomes (http://www.ensemblgenomes.org) is an integrating resource for genome-scale data from non-vertebrate species. The project exploits and extends technologies for genome annotation, analysis and dissemination, developed in the context of the vertebrate-focused Ensembl project, and provi...
Automated lattice data generation
NASA Astrophysics Data System (ADS)
Ayyar, Venkitesh; Hackett, Daniel C.; Jay, William I.; Neil, Ethan T.
2018-03-01
The process of generating ensembles of gauge configurations (and measuring various observables over them) can be tedious and error-prone when done "by hand". In practice, most of this procedure can be automated with the use of a workflow manager. We discuss how this automation can be accomplished using Taxi, a minimal Python-based workflow manager built for generating lattice data. We present a case study demonstrating this technology.
NASA Astrophysics Data System (ADS)
Stainforth, D. A.; Allen, M.; Kettleborough, J.; Collins, M.; Heaps, A.; Stott, P.; Wehner, M.
2001-12-01
The climateprediction.com project is preparing to carry out the first systematic uncertainty analysis of climate forecasts using large ensembles of GCM climate simulations. This will be done by involving schools, businesses and members of the public, and utilizing the novel technology of distributed computing. Each participant will be asked to run one member of the ensemble on their PC. The model used will initially be the UK Met Office's Unified Model (UM). It will be run under Windows and software will be provided to enable those involved to view their model output as it develops. The project will use this method to carry out large perturbed physics GCM ensembles and thereby analyse the uncertainty in the forecasts from such models. Each participant/ensemble member will therefore have a version of the UM in which certain aspects of the model physics have been perturbed from their default values. Of course the non-linear nature of the system means that it will be necessary to look not just at perturbations to individual parameters in specific schemes, such as the cloud parameterization, but also to the many combinations of perturbations. This rapidly leads to the need for very large, perhaps multi-million member ensembles, which could only be undertaken using the distributed computing methodology. The status of the project will be presented and the Windows client will be demonstrated. In addition, initial results will be presented from beta test runs using a demo release for Linux PCs and Alpha workstations. Although small by comparison to the whole project, these pilot results constitute a 20-50 member perturbed physics climate ensemble with results indicating how climate sensitivity can be substantially affected by individual parameter values in the cloud scheme.
Resonant optical spectroscopy and coherent control of C r4 + spin ensembles in SiC and GaN
NASA Astrophysics Data System (ADS)
Koehl, William F.; Diler, Berk; Whiteley, Samuel J.; Bourassa, Alexandre; Son, N. T.; Janzén, Erik; Awschalom, David D.
2017-01-01
Spins bound to point defects are increasingly viewed as an important resource for solid-state implementations of quantum information and spintronic technologies. In particular, there is a growing interest in the identification of new classes of defect spin that can be controlled optically. Here, we demonstrate ensemble optical spin polarization and optically detected magnetic resonance (ODMR) of the S = 1 electronic ground state of chromium (C r4 + ) impurities in silicon carbide (SiC) and gallium nitride (GaN). Spin polarization is made possible by the narrow optical linewidths of these ensembles (<8.5 GHz), which are similar in magnitude to the ground state zero-field spin splitting energies of the ions at liquid helium temperatures. This allows us to optically resolve individual spin sublevels within the ensembles at low magnetic fields using resonant excitation from a cavity-stabilized, narrow-linewidth laser. Additionally, these near-infrared emitters possess exceptionally weak phonon sidebands, ensuring that >73% of the overall optical emission is contained with the defects' zero-phonon lines. These characteristics make this semiconductor-based, transition metal impurity system a promising target for further study in the ongoing effort to integrate optically active quantum states within common optoelectronic materials.
Resonant optical spectroscopy and coherent control of C r 4 + spin ensembles in SiC and GaN
Koehl, William F.; Diler, Berk; Whiteley, Samuel J.; ...
2017-01-15
Spins bound to point defects are increasingly viewed as an important resource for solid-state implementations of quantum information technologies. In particular, there is a growing interest in the identification of new classes of defect spin that can be controlled optically. Here we demonstrate ensemble optical spin polarization and optically detected magnetic resonance (ODMR) of the S = 1 electronic ground state of chromium (Cr 4+) impurities in silicon carbide (SiC) and gallium nitride (GaN). Polarization is made possible by the narrow optical linewidths of these ensembles (< 8.5 GHz), which are similar in magnitude to the ground state zero-field spinmore » splitting energies of the ions at liquid helium temperatures. We therefore are able to optically resolve individual spin sublevels within the ensembles at low magnetic fields using resonant excitation from a cavity-stabilized, narrow-linewidth laser. Additionally, these near-infrared emitters possess exceptionally weak phonon sidebands, ensuring that > 73% of the overall optical emission is contained with the defects’ zero-phonon lines. Lastly, these characteristics make this semiconductor-based, transition metal impurity system a promising target for further study in the ongoing effort to integrate optically active quantum states within common optoelectronic materials.« less
A deep learning-based multi-model ensemble method for cancer prediction.
Xiao, Yawen; Wu, Jun; Lin, Zongli; Zhao, Xiaodong
2018-01-01
Cancer is a complex worldwide health problem associated with high mortality. With the rapid development of the high-throughput sequencing technology and the application of various machine learning methods that have emerged in recent years, progress in cancer prediction has been increasingly made based on gene expression, providing insight into effective and accurate treatment decision making. Thus, developing machine learning methods, which can successfully distinguish cancer patients from healthy persons, is of great current interest. However, among the classification methods applied to cancer prediction so far, no one method outperforms all the others. In this paper, we demonstrate a new strategy, which applies deep learning to an ensemble approach that incorporates multiple different machine learning models. We supply informative gene data selected by differential gene expression analysis to five different classification models. Then, a deep learning method is employed to ensemble the outputs of the five classifiers. The proposed deep learning-based multi-model ensemble method was tested on three public RNA-seq data sets of three kinds of cancers, Lung Adenocarcinoma, Stomach Adenocarcinoma and Breast Invasive Carcinoma. The test results indicate that it increases the prediction accuracy of cancer for all the tested RNA-seq data sets as compared to using a single classifier or the majority voting algorithm. By taking full advantage of different classifiers, the proposed deep learning-based multi-model ensemble method is shown to be accurate and effective for cancer prediction. Copyright © 2017 Elsevier B.V. All rights reserved.
Entanglement in a solid-state spin ensemble.
Simmons, Stephanie; Brown, Richard M; Riemann, Helge; Abrosimov, Nikolai V; Becker, Peter; Pohl, Hans-Joachim; Thewalt, Mike L W; Itoh, Kohei M; Morton, John J L
2011-02-03
Entanglement is the quintessential quantum phenomenon. It is a necessary ingredient in most emerging quantum technologies, including quantum repeaters, quantum information processing and the strongest forms of quantum cryptography. Spin ensembles, such as those used in liquid-state nuclear magnetic resonance, have been important for the development of quantum control methods. However, these demonstrations contain no entanglement and ultimately constitute classical simulations of quantum algorithms. Here we report the on-demand generation of entanglement between an ensemble of electron and nuclear spins in isotopically engineered, phosphorus-doped silicon. We combined high-field (3.4 T), low-temperature (2.9 K) electron spin resonance with hyperpolarization of the (31)P nuclear spin to obtain an initial state of sufficient purity to create a non-classical, inseparable state. The state was verified using density matrix tomography based on geometric phase gates, and had a fidelity of 98% relative to the ideal state at this field and temperature. The entanglement operation was performed simultaneously, with high fidelity, on 10(10) spin pairs; this fulfils one of the essential requirements for a silicon-based quantum information processor.
Using Videoconferencing for Teacher Professional Development and Ensemble Clinics
ERIC Educational Resources Information Center
Burrack, Frederick
2012-01-01
Videoconferencing technology can create opportunities to offer music teachers specific feedback that is crucial to satisfying their developmental needs by providing direct impact on instruction through online ensemble clinics. (Contains 3 notes.)
Determination of the conformational ensemble of the TAR RNA by X-ray scattering interferometry
Walker, Peter
2017-01-01
Abstract The conformational ensembles of structured RNA's are crucial for biological function, but they remain difficult to elucidate experimentally. We demonstrate with HIV-1 TAR RNA that X-ray scattering interferometry (XSI) can be used to determine RNA conformational ensembles. X-ray scattering interferometry (XSI) is based on site-specifically labeling RNA with pairs of heavy atom probes, and precisely measuring the distribution of inter-probe distances that arise from a heterogeneous mixture of RNA solution structures. We show that the XSI-based model of the TAR RNA ensemble closely resembles an independent model derived from NMR-RDC data. Further, we show how the TAR RNA ensemble changes shape at different salt concentrations. Finally, we demonstrate that a single hybrid model of the TAR RNA ensemble simultaneously fits both the XSI and NMR-RDC data set and show that XSI can be combined with NMR-RDC to further improve the quality of the determined ensemble. The results suggest that XSI-RNA will be a powerful approach for characterizing the solution conformational ensembles of RNAs and RNA-protein complexes under diverse solution conditions. PMID:28108663
Experimental Demonstration of Observability and Operability of Robustness of Coherence
NASA Astrophysics Data System (ADS)
Zheng, Wenqiang; Ma, Zhihao; Wang, Hengyan; Fei, Shao-Ming; Peng, Xinhua
2018-06-01
Quantum coherence is an invaluable physical resource for various quantum technologies. As a bona fide measure in quantifying coherence, the robustness of coherence (ROC) is not only mathematically rigorous, but also physically meaningful. We experimentally demonstrate the witness-observable and operational feature of the ROC in a multiqubit nuclear magnetic resonance system. We realize witness measurements by detecting the populations of quantum systems in one trial. The approach may also apply to physical systems compatible with ensemble or nondemolition measurements. Moreover, we experimentally show that the ROC quantifies the advantage enabled by a quantum state in a phase discrimination task.
Hansen, Bjoern Oest; Meyer, Etienne H; Ferrari, Camilla; Vaid, Neha; Movahedi, Sara; Vandepoele, Klaas; Nikoloski, Zoran; Mutwil, Marek
2018-03-01
Recent advances in gene function prediction rely on ensemble approaches that integrate results from multiple inference methods to produce superior predictions. Yet, these developments remain largely unexplored in plants. We have explored and compared two methods to integrate 10 gene co-function networks for Arabidopsis thaliana and demonstrate how the integration of these networks produces more accurate gene function predictions for a larger fraction of genes with unknown function. These predictions were used to identify genes involved in mitochondrial complex I formation, and for five of them, we confirmed the predictions experimentally. The ensemble predictions are provided as a user-friendly online database, EnsembleNet. The methods presented here demonstrate that ensemble gene function prediction is a powerful method to boost prediction performance, whereas the EnsembleNet database provides a cutting-edge community tool to guide experimentalists. © 2017 The Authors. New Phytologist © 2017 New Phytologist Trust.
Ocean Predictability and Uncertainty Forecasts Using Local Ensemble Transfer Kalman Filter (LETKF)
NASA Astrophysics Data System (ADS)
Wei, M.; Hogan, P. J.; Rowley, C. D.; Smedstad, O. M.; Wallcraft, A. J.; Penny, S. G.
2017-12-01
Ocean predictability and uncertainty are studied with an ensemble system that has been developed based on the US Navy's operational HYCOM using the Local Ensemble Transfer Kalman Filter (LETKF) technology. One of the advantages of this method is that the best possible initial analysis states for the HYCOM forecasts are provided by the LETKF which assimilates operational observations using ensemble method. The background covariance during this assimilation process is implicitly supplied with the ensemble avoiding the difficult task of developing tangent linear and adjoint models out of HYCOM with the complicated hybrid isopycnal vertical coordinate for 4D-VAR. The flow-dependent background covariance from the ensemble will be an indispensable part in the next generation hybrid 4D-Var/ensemble data assimilation system. The predictability and uncertainty for the ocean forecasts are studied initially for the Gulf of Mexico. The results are compared with another ensemble system using Ensemble Transfer (ET) method which has been used in the Navy's operational center. The advantages and disadvantages are discussed.
Cluster ensemble based on Random Forests for genetic data.
Alhusain, Luluah; Hafez, Alaaeldin M
2017-01-01
Clustering plays a crucial role in several application domains, such as bioinformatics. In bioinformatics, clustering has been extensively used as an approach for detecting interesting patterns in genetic data. One application is population structure analysis, which aims to group individuals into subpopulations based on shared genetic variations, such as single nucleotide polymorphisms. Advances in DNA sequencing technology have facilitated the obtainment of genetic datasets with exceptional sizes. Genetic data usually contain hundreds of thousands of genetic markers genotyped for thousands of individuals, making an efficient means for handling such data desirable. Random Forests (RFs) has emerged as an efficient algorithm capable of handling high-dimensional data. RFs provides a proximity measure that can capture different levels of co-occurring relationships between variables. RFs has been widely considered a supervised learning method, although it can be converted into an unsupervised learning method. Therefore, RF-derived proximity measure combined with a clustering technique may be well suited for determining the underlying structure of unlabeled data. This paper proposes, RFcluE, a cluster ensemble approach for determining the underlying structure of genetic data based on RFs. The approach comprises a cluster ensemble framework to combine multiple runs of RF clustering. Experiments were conducted on high-dimensional, real genetic dataset to evaluate the proposed approach. The experiments included an examination of the impact of parameter changes, comparing RFcluE performance against other clustering methods, and an assessment of the relationship between the diversity and quality of the ensemble and its effect on RFcluE performance. This paper proposes, RFcluE, a cluster ensemble approach based on RF clustering to address the problem of population structure analysis and demonstrate the effectiveness of the approach. The paper also illustrates that applying a cluster ensemble approach, combining multiple RF clusterings, produces more robust and higher-quality results as a consequence of feeding the ensemble with diverse views of high-dimensional genetic data obtained through bagging and random subspace, the two key features of the RF algorithm.
Cant, Jonathan S.; Xu, Yaoda
2015-01-01
Behavioral research has demonstrated that observers can extract summary statistics from ensembles of multiple objects. We recently showed that a region of anterior-medial ventral visual cortex, overlapping largely with the scene-sensitive parahippocampal place area (PPA), participates in object-ensemble representation. Here we investigated the encoding of ensemble density in this brain region using fMRI-adaptation. In Experiment 1, we varied density by changing the spacing between objects and found no sensitivity in PPA to such density changes. Thus, density may not be encoded in PPA, possibly because object spacing is not perceived as an intrinsic ensemble property. In Experiment 2, we varied relative density by changing the ratio of 2 types of objects comprising an ensemble, and observed significant sensitivity in PPA to such ratio change. Although colorful ensembles were shown in Experiment 2, Experiment 3 demonstrated that sensitivity to object ratio change was not driven mainly by a change in the ratio of colors. Thus, while anterior-medial ventral visual cortex is insensitive to density (object spacing) changes, it does code relative density (object ratio) within an ensemble. Object-ensemble processing in this region may thus depend on high-level visual information, such as object ratio, rather than low-level information, such as spacing/spatial frequency. PMID:24964917
Determination of the conformational ensemble of the TAR RNA by X-ray scattering interferometry.
Shi, Xuesong; Walker, Peter; Harbury, Pehr B; Herschlag, Daniel
2017-05-05
The conformational ensembles of structured RNA's are crucial for biological function, but they remain difficult to elucidate experimentally. We demonstrate with HIV-1 TAR RNA that X-ray scattering interferometry (XSI) can be used to determine RNA conformational ensembles. X-ray scattering interferometry (XSI) is based on site-specifically labeling RNA with pairs of heavy atom probes, and precisely measuring the distribution of inter-probe distances that arise from a heterogeneous mixture of RNA solution structures. We show that the XSI-based model of the TAR RNA ensemble closely resembles an independent model derived from NMR-RDC data. Further, we show how the TAR RNA ensemble changes shape at different salt concentrations. Finally, we demonstrate that a single hybrid model of the TAR RNA ensemble simultaneously fits both the XSI and NMR-RDC data set and show that XSI can be combined with NMR-RDC to further improve the quality of the determined ensemble. The results suggest that XSI-RNA will be a powerful approach for characterizing the solution conformational ensembles of RNAs and RNA-protein complexes under diverse solution conditions. © The Author(s) 2017. Published by Oxford University Press on behalf of Nucleic Acids Research.
Imprinting and recalling cortical ensembles.
Carrillo-Reid, Luis; Yang, Weijian; Bando, Yuki; Peterka, Darcy S; Yuste, Rafael
2016-08-12
Neuronal ensembles are coactive groups of neurons that may represent building blocks of cortical circuits. These ensembles could be formed by Hebbian plasticity, whereby synapses between coactive neurons are strengthened. Here we report that repetitive activation with two-photon optogenetics of neuronal populations from ensembles in the visual cortex of awake mice builds neuronal ensembles that recur spontaneously after being imprinted and do not disrupt preexisting ones. Moreover, imprinted ensembles can be recalled by single- cell stimulation and remain coactive on consecutive days. Our results demonstrate the persistent reconfiguration of cortical circuits by two-photon optogenetics into neuronal ensembles that can perform pattern completion. Copyright © 2016, American Association for the Advancement of Science.
Revealing the distinct folding phases of an RNA three-helix junction.
Plumridge, Alex; Katz, Andrea M; Calvey, George D; Elber, Ron; Kirmizialtin, Serdal; Pollack, Lois
2018-05-14
Remarkable new insight has emerged into the biological role of RNA in cells. RNA folding and dynamics enable many of these newly discovered functions, calling for an understanding of RNA self-assembly and conformational dynamics. Because RNAs pass through multiple structures as they fold, an ensemble perspective is required to visualize the flow through fleetingly populated sets of states. Here, we combine microfluidic mixing technology and small angle X-ray scattering (SAXS) to measure the Mg-induced folding of a small RNA domain, the tP5abc three helix junction. Our measurements are interpreted using ensemble optimization to select atomically detailed structures that recapitulate each experimental curve. Structural ensembles, derived at key stages in both time-resolved studies and equilibrium titrations, reproduce the features of known intermediates, and more importantly, offer a powerful new structural perspective on the time-progression of folding. Distinct collapse phases along the pathway appear to be orchestrated by specific interactions with Mg ions. These key interactions subsequently direct motions of the backbone that position the partners of tertiary contacts for later bonding, and demonstrate a remarkable synergy between Mg and RNA across numerous time-scales.
Topology determines force distributions in one-dimensional random spring networks.
Heidemann, Knut M; Sageman-Furnas, Andrew O; Sharma, Abhinav; Rehfeldt, Florian; Schmidt, Christoph F; Wardetzky, Max
2018-02-01
Networks of elastic fibers are ubiquitous in biological systems and often provide mechanical stability to cells and tissues. Fiber-reinforced materials are also common in technology. An important characteristic of such materials is their resistance to failure under load. Rupture occurs when fibers break under excessive force and when that failure propagates. Therefore, it is crucial to understand force distributions. Force distributions within such networks are typically highly inhomogeneous and are not well understood. Here we construct a simple one-dimensional model system with periodic boundary conditions by randomly placing linear springs on a circle. We consider ensembles of such networks that consist of N nodes and have an average degree of connectivity z but vary in topology. Using a graph-theoretical approach that accounts for the full topology of each network in the ensemble, we show that, surprisingly, the force distributions can be fully characterized in terms of the parameters (N,z). Despite the universal properties of such (N,z) ensembles, our analysis further reveals that a classical mean-field approach fails to capture force distributions correctly. We demonstrate that network topology is a crucial determinant of force distributions in elastic spring networks.
Topology determines force distributions in one-dimensional random spring networks
NASA Astrophysics Data System (ADS)
Heidemann, Knut M.; Sageman-Furnas, Andrew O.; Sharma, Abhinav; Rehfeldt, Florian; Schmidt, Christoph F.; Wardetzky, Max
2018-02-01
Networks of elastic fibers are ubiquitous in biological systems and often provide mechanical stability to cells and tissues. Fiber-reinforced materials are also common in technology. An important characteristic of such materials is their resistance to failure under load. Rupture occurs when fibers break under excessive force and when that failure propagates. Therefore, it is crucial to understand force distributions. Force distributions within such networks are typically highly inhomogeneous and are not well understood. Here we construct a simple one-dimensional model system with periodic boundary conditions by randomly placing linear springs on a circle. We consider ensembles of such networks that consist of N nodes and have an average degree of connectivity z but vary in topology. Using a graph-theoretical approach that accounts for the full topology of each network in the ensemble, we show that, surprisingly, the force distributions can be fully characterized in terms of the parameters (N ,z ) . Despite the universal properties of such (N ,z ) ensembles, our analysis further reveals that a classical mean-field approach fails to capture force distributions correctly. We demonstrate that network topology is a crucial determinant of force distributions in elastic spring networks.
Metal Oxide Gas Sensor Drift Compensation Using a Two-Dimensional Classifier Ensemble
Liu, Hang; Chu, Renzhi; Tang, Zhenan
2015-01-01
Sensor drift is the most challenging problem in gas sensing at present. We propose a novel two-dimensional classifier ensemble strategy to solve the gas discrimination problem, regardless of the gas concentration, with high accuracy over extended periods of time. This strategy is appropriate for multi-class classifiers that consist of combinations of pairwise classifiers, such as support vector machines. We compare the performance of the strategy with those of competing methods in an experiment based on a public dataset that was compiled over a period of three years. The experimental results demonstrate that the two-dimensional ensemble outperforms the other methods considered. Furthermore, we propose a pre-aging process inspired by that applied to the sensors to improve the stability of the classifier ensemble. The experimental results demonstrate that the weight of each multi-class classifier model in the ensemble remains fairly static before and after the addition of new classifier models to the ensemble, when a pre-aging procedure is applied. PMID:25942640
A probabilistic verification score for contours demonstrated with idealized ice-edge forecasts
NASA Astrophysics Data System (ADS)
Goessling, Helge; Jung, Thomas
2017-04-01
We introduce a probabilistic verification score for ensemble-based forecasts of contours: the Spatial Probability Score (SPS). Defined as the spatial integral of local (Half) Brier Scores, the SPS can be considered the spatial analog of the Continuous Ranked Probability Score (CRPS). Applying the SPS to idealized seasonal ensemble forecasts of the Arctic sea-ice edge in a global coupled climate model, we demonstrate that the SPS responds properly to ensemble size, bias, and spread. When applied to individual forecasts or ensemble means (or quantiles), the SPS is reduced to the 'volume' of mismatch, in case of the ice edge corresponding to the Integrated Ice Edge Error (IIEE).
Ocean state and uncertainty forecasts using HYCOM with Local Ensemble Transfer Kalman Filter (LETKF)
NASA Astrophysics Data System (ADS)
Wei, Mozheng; Hogan, Pat; Rowley, Clark; Smedstad, Ole-Martin; Wallcraft, Alan; Penny, Steve
2017-04-01
An ensemble forecast system based on the US Navy's operational HYCOM using Local Ensemble Transfer Kalman Filter (LETKF) technology has been developed for ocean state and uncertainty forecasts. One of the advantages is that the best possible initial analysis states for the HYCOM forecasts are provided by the LETKF which assimilates the operational observations using ensemble method. The background covariance during this assimilation process is supplied with the ensemble, thus it avoids the difficulty of developing tangent linear and adjoint models for 4D-VAR from the complicated hybrid isopycnal vertical coordinate in HYCOM. Another advantage is that the ensemble system provides the valuable uncertainty estimate corresponding to every state forecast from HYCOM. Uncertainty forecasts have been proven to be critical for the downstream users and managers to make more scientifically sound decisions in numerical prediction community. In addition, ensemble mean is generally more accurate and skilful than the single traditional deterministic forecast with the same resolution. We will introduce the ensemble system design and setup, present some results from 30-member ensemble experiment, and discuss scientific, technical and computational issues and challenges, such as covariance localization, inflation, model related uncertainties and sensitivity to the ensemble size.
NASA Astrophysics Data System (ADS)
Brekke, L. D.; Prairie, J.; Pruitt, T.; Rajagopalan, B.; Woodhouse, C.
2008-12-01
Water resources adaptation planning under climate change involves making assumptions about probabilistic water supply conditions, which are linked to a given climate context (e.g., instrument records, paleoclimate indicators, projected climate data, or blend of these). Methods have been demonstrated to associate water supply assumptions with any of these climate information types. Additionally, demonstrations have been offered that represent these information types in a scenario-rich (ensemble) planning framework, either via ensembles (e.g., survey of many climate projections) or stochastic modeling (e.g., based on instrument records or paleoclimate indicators). If the planning goal involves using a hydrologic ensemble that jointly reflects paleoclimate (e.g., lower- frequency variations) and projected climate information (e.g., monthly to annual trends), methods are required to guide how these information types might be translated into water supply assumptions. However, even if such a method exists, there is lack of understanding on how such a hydrologic ensemble might differ from ensembles developed relative to paleoclimate or projected climate information alone. This research explores two questions: (1) how might paleoclimate and projected climate information be blended into an planning hydrologic ensemble, and (2) how does a planning hydrologic ensemble differ when associated with the individual climate information types (i.e. instrumental records, paleoclimate, projected climate, or blend of the latter two). Case study basins include the Gunnison River Basin in Colorado and the Missouri River Basin above Toston in Montana. Presentation will highlight ensemble development methods by information type, and comparison of ensemble results.
Cant, Jonathan S; Xu, Yaoda
2017-02-01
Our visual system can extract summary statistics from large collections of objects without forming detailed representations of the individual objects in the ensemble. In a region in ventral visual cortex encompassing the collateral sulcus and the parahippocampal gyrus and overlapping extensively with the scene-selective parahippocampal place area (PPA), we have previously reported fMRI adaptation to object ensembles when ensemble statistics repeated, even when local image features differed across images (e.g., two different images of the same strawberry pile). We additionally showed that this ensemble representation is similar to (but still distinct from) how visual texture patterns are processed in this region and is not explained by appealing to differences in the color of the elements that make up the ensemble. To further explore the nature of ensemble representation in this brain region, here we used PPA as our ROI and investigated in detail how the shape and surface properties (i.e., both texture and color) of the individual objects constituting an ensemble affect the ensemble representation in anterior-medial ventral visual cortex. We photographed object ensembles of stone beads that varied in shape and surface properties. A given ensemble always contained beads of the same shape and surface properties (e.g., an ensemble of star-shaped rose quartz beads). A change to the shape and/or surface properties of all the beads in an ensemble resulted in a significant release from adaptation in PPA compared with conditions in which no ensemble feature changed. In contrast, in the object-sensitive lateral occipital area (LO), we only observed a significant release from adaptation when the shape of the ensemble elements varied, and found no significant results in additional scene-sensitive regions, namely, the retrosplenial complex and occipital place area. Together, these results demonstrate that the shape and surface properties of the individual objects comprising an ensemble both contribute significantly to object ensemble representation in anterior-medial ventral visual cortex and further demonstrate a functional dissociation between object- (LO) and scene-selective (PPA) visual cortical regions and within the broader scene-processing network itself.
Ensemble Manifold Rank Preserving for Acceleration-Based Human Activity Recognition.
Tao, Dapeng; Jin, Lianwen; Yuan, Yuan; Xue, Yang
2016-06-01
With the rapid development of mobile devices and pervasive computing technologies, acceleration-based human activity recognition, a difficult yet essential problem in mobile apps, has received intensive attention recently. Different acceleration signals for representing different activities or even a same activity have different attributes, which causes troubles in normalizing the signals. We thus cannot directly compare these signals with each other, because they are embedded in a nonmetric space. Therefore, we present a nonmetric scheme that retains discriminative and robust frequency domain information by developing a novel ensemble manifold rank preserving (EMRP) algorithm. EMRP simultaneously considers three aspects: 1) it encodes the local geometry using the ranking order information of intraclass samples distributed on local patches; 2) it keeps the discriminative information by maximizing the margin between samples of different classes; and 3) it finds the optimal linear combination of the alignment matrices to approximate the intrinsic manifold lied in the data. Experiments are conducted on the South China University of Technology naturalistic 3-D acceleration-based activity dataset and the naturalistic mobile-devices based human activity dataset to demonstrate the robustness and effectiveness of the new nonmetric scheme for acceleration-based human activity recognition.
Thermodynamic-ensemble independence of solvation free energy.
Chong, Song-Ho; Ham, Sihyun
2015-02-10
Solvation free energy is the fundamental thermodynamic quantity in solution chemistry. Recently, it has been suggested that the partial molar volume correction is necessary to convert the solvation free energy determined in different thermodynamic ensembles. Here, we demonstrate ensemble-independence of the solvation free energy on general thermodynamic grounds. Theoretical estimates of the solvation free energy based on the canonical or grand-canonical ensemble are pertinent to experiments carried out under constant pressure without any conversion.
Rapid cell separation with minimal manipulation for autologous cell therapies
NASA Astrophysics Data System (ADS)
Smith, Alban J.; O'Rorke, Richard D.; Kale, Akshay; Rimsa, Roberts; Tomlinson, Matthew J.; Kirkham, Jennifer; Davies, A. Giles; Wälti, Christoph; Wood, Christopher D.
2017-02-01
The ability to isolate specific, viable cell populations from mixed ensembles with minimal manipulation and within intra-operative time would provide significant advantages for autologous, cell-based therapies in regenerative medicine. Current cell-enrichment technologies are either slow, lack specificity and/or require labelling. Thus a rapid, label-free separation technology that does not affect cell functionality, viability or phenotype is highly desirable. Here, we demonstrate separation of viable from non-viable human stromal cells using remote dielectrophoresis, in which an electric field is coupled into a microfluidic channel using shear-horizontal surface acoustic waves, producing an array of virtual electrodes within the channel. This allows high-throughput dielectrophoretic cell separation in high conductivity, physiological-like fluids, overcoming the limitations of conventional dielectrophoresis. We demonstrate viable/non-viable separation efficacy of >98% in pre-purified mesenchymal stromal cells, extracted from human dental pulp, with no adverse effects on cell viability, or on their subsequent osteogenic capabilities.
NASA Astrophysics Data System (ADS)
Bianconi, Ginestra
2009-03-01
In this paper we generalize the concept of random networks to describe network ensembles with nontrivial features by a statistical mechanics approach. This framework is able to describe undirected and directed network ensembles as well as weighted network ensembles. These networks might have nontrivial community structure or, in the case of networks embedded in a given space, they might have a link probability with a nontrivial dependence on the distance between the nodes. These ensembles are characterized by their entropy, which evaluates the cardinality of networks in the ensemble. In particular, in this paper we define and evaluate the structural entropy, i.e., the entropy of the ensembles of undirected uncorrelated simple networks with given degree sequence. We stress the apparent paradox that scale-free degree distributions are characterized by having small structural entropy while they are so widely encountered in natural, social, and technological complex systems. We propose a solution to the paradox by proving that scale-free degree distributions are the most likely degree distribution with the corresponding value of the structural entropy. Finally, the general framework we present in this paper is able to describe microcanonical ensembles of networks as well as canonical or hidden-variable network ensembles with significant implications for the formulation of network-constructing algorithms.
The Effect of Ensemble Performance Quality on the Evaluation of Conducting Expressivity
ERIC Educational Resources Information Center
Silvey, Brian A.
2011-01-01
This study was designed to examine whether the presence of excellent or poor ensemble performances would influence the ratings assigned by ensemble members to conductors who demonstrated highly expressive conducting. Two conductors were videotaped conducting one of two excerpts from an arrangement of Frank Ticheli's "Loch Lomond." These videos…
Cant, Jonathan S; Xu, Yaoda
2015-11-01
Behavioral research has demonstrated that observers can extract summary statistics from ensembles of multiple objects. We recently showed that a region of anterior-medial ventral visual cortex, overlapping largely with the scene-sensitive parahippocampal place area (PPA), participates in object-ensemble representation. Here we investigated the encoding of ensemble density in this brain region using fMRI-adaptation. In Experiment 1, we varied density by changing the spacing between objects and found no sensitivity in PPA to such density changes. Thus, density may not be encoded in PPA, possibly because object spacing is not perceived as an intrinsic ensemble property. In Experiment 2, we varied relative density by changing the ratio of 2 types of objects comprising an ensemble, and observed significant sensitivity in PPA to such ratio change. Although colorful ensembles were shown in Experiment 2, Experiment 3 demonstrated that sensitivity to object ratio change was not driven mainly by a change in the ratio of colors. Thus, while anterior-medial ventral visual cortex is insensitive to density (object spacing) changes, it does code relative density (object ratio) within an ensemble. Object-ensemble processing in this region may thus depend on high-level visual information, such as object ratio, rather than low-level information, such as spacing/spatial frequency. © The Author 2014. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.
Marzullo, Timothy Charles; Lehmkuhle, Mark J; Gage, Gregory J; Kipke, Daryl R
2010-04-01
Closed-loop neural interface technology that combines neural ensemble decoding with simultaneous electrical microstimulation feedback is hypothesized to improve deep brain stimulation techniques, neuromotor prosthetic applications, and epilepsy treatment. Here we describe our iterative results in a rat model of a sensory and motor neurophysiological feedback control system. Three rats were chronically implanted with microelectrode arrays in both the motor and visual cortices. The rats were subsequently trained over a period of weeks to modulate their motor cortex ensemble unit activity upon delivery of intra-cortical microstimulation (ICMS) of the visual cortex in order to receive a food reward. Rats were given continuous feedback via visual cortex ICMS during the response periods that was representative of the motor cortex ensemble dynamics. Analysis revealed that the feedback provided the animals with indicators of the behavioral trials. At the hardware level, this preparation provides a tractable test model for improving the technology of closed-loop neural devices.
Multimodel Ensemble Methods for Prediction of Wake-Vortex Transport and Decay Originating NASA
NASA Technical Reports Server (NTRS)
Korner, Stephan; Ahmad, Nashat N.; Holzapfel, Frank; VanValkenburg, Randal L.
2017-01-01
Several multimodel ensemble methods are selected and further developed to improve the deterministic and probabilistic prediction skills of individual wake-vortex transport and decay models. The different multimodel ensemble methods are introduced, and their suitability for wake applications is demonstrated. The selected methods include direct ensemble averaging, Bayesian model averaging, and Monte Carlo simulation. The different methodologies are evaluated employing data from wake-vortex field measurement campaigns conducted in the United States and Germany.
Imprinting and Recalling Cortical Ensembles
Carrillo-Reid, Luis; Yang, Weijian; Bando, Yuki; Peterka, Darcy S.; Yuste, Rafael
2017-01-01
Neuronal ensembles are coactive groups of neurons that may represent emergent building blocks of neural circuits. They could be formed by Hebbian plasticity, whereby synapses between coactive neurons are strengthened. Here we report that repetitive activation with two-photon optogenetics of neuronal populations in visual cortex of awake mice generates artificially induced ensembles which recur spontaneously after being imprinted and do not disrupt preexistent ones. Moreover, imprinted ensembles can be recalled by single cell stimulation and remain coactive on consecutive days. Our results demonstrate the persistent reconfiguration of cortical circuits by two-photon optogenetics into neuronal ensembles that can perform pattern completion. PMID:27516599
Experimental Demonstration of Quantum Stationary Light Pulses in an Atomic Ensemble
NASA Astrophysics Data System (ADS)
Park, Kwang-Kyoon; Cho, Young-Wook; Chough, Young-Tak; Kim, Yoon-Ho
2018-04-01
We report an experimental demonstration of the nonclassical stationary light pulse (SLP) in a cold atomic ensemble. A single collective atomic excitation is created and heralded by detecting a Stokes photon in the spontaneous Raman scattering process. The heralded single atomic excitation is converted into a single stationary optical excitation or the single-photon SLP, whose effective group velocity is zero, effectively forming a trapped single-photon pulse within the cold atomic ensemble. The single-photon SLP is then released from the atomic ensemble as an anti-Stokes photon after a specified trapping time. The second-order correlation measurement between the Stokes and anti-Stokes photons reveals the nonclassical nature of the single-photon SLP. Our work paves the way toward quantum nonlinear optics without a cavity.
Predicting protein function and other biomedical characteristics with heterogeneous ensembles
Whalen, Sean; Pandey, Om Prakash
2015-01-01
Prediction problems in biomedical sciences, including protein function prediction (PFP), are generally quite difficult. This is due in part to incomplete knowledge of the cellular phenomenon of interest, the appropriateness and data quality of the variables and measurements used for prediction, as well as a lack of consensus regarding the ideal predictor for specific problems. In such scenarios, a powerful approach to improving prediction performance is to construct heterogeneous ensemble predictors that combine the output of diverse individual predictors that capture complementary aspects of the problems and/or datasets. In this paper, we demonstrate the potential of such heterogeneous ensembles, derived from stacking and ensemble selection methods, for addressing PFP and other similar biomedical prediction problems. Deeper analysis of these results shows that the superior predictive ability of these methods, especially stacking, can be attributed to their attention to the following aspects of the ensemble learning process: (i) better balance of diversity and performance, (ii) more effective calibration of outputs and (iii) more robust incorporation of additional base predictors. Finally, to make the effective application of heterogeneous ensembles to large complex datasets (big data) feasible, we present DataSink, a distributed ensemble learning framework, and demonstrate its sound scalability using the examined datasets. DataSink is publicly available from https://github.com/shwhalen/datasink. PMID:26342255
Challenges in Visual Analysis of Ensembles
Crossno, Patricia
2018-04-12
Modeling physical phenomena through computational simulation increasingly relies on generating a collection of related runs, known as an ensemble. In this paper, we explore the challenges we face in developing analysis and visualization systems for large and complex ensemble data sets, which we seek to understand without having to view the results of every simulation run. Implementing approaches and ideas developed in response to this goal, we demonstrate the analysis of a 15K run material fracturing study using Slycat, our ensemble analysis system.
Challenges in Visual Analysis of Ensembles
DOE Office of Scientific and Technical Information (OSTI.GOV)
Crossno, Patricia
Modeling physical phenomena through computational simulation increasingly relies on generating a collection of related runs, known as an ensemble. In this paper, we explore the challenges we face in developing analysis and visualization systems for large and complex ensemble data sets, which we seek to understand without having to view the results of every simulation run. Implementing approaches and ideas developed in response to this goal, we demonstrate the analysis of a 15K run material fracturing study using Slycat, our ensemble analysis system.
Exploring the calibration of a wind forecast ensemble for energy applications
NASA Astrophysics Data System (ADS)
Heppelmann, Tobias; Ben Bouallegue, Zied; Theis, Susanne
2015-04-01
In the German research project EWeLiNE, Deutscher Wetterdienst (DWD) and Fraunhofer Institute for Wind Energy and Energy System Technology (IWES) are collaborating with three German Transmission System Operators (TSO) in order to provide the TSOs with improved probabilistic power forecasts. Probabilistic power forecasts are derived from probabilistic weather forecasts, themselves derived from ensemble prediction systems (EPS). Since the considered raw ensemble wind forecasts suffer from underdispersiveness and bias, calibration methods are developed for the correction of the model bias and the ensemble spread bias. The overall aim is to improve the ensemble forecasts such that the uncertainty of the possible weather deployment is depicted by the ensemble spread from the first forecast hours. Additionally, the ensemble members after calibration should remain physically consistent scenarios. We focus on probabilistic hourly wind forecasts with horizon of 21 h delivered by the convection permitting high-resolution ensemble system COSMO-DE-EPS which has become operational in 2012 at DWD. The ensemble consists of 20 ensemble members driven by four different global models. The model area includes whole Germany and parts of Central Europe with a horizontal resolution of 2.8 km and a vertical resolution of 50 model levels. For verification we use wind mast measurements around 100 m height that corresponds to the hub height of wind energy plants that belong to wind farms within the model area. Calibration of the ensemble forecasts can be performed by different statistical methods applied to the raw ensemble output. Here, we explore local bivariate Ensemble Model Output Statistics at individual sites and quantile regression with different predictors. Applying different methods, we already show an improvement of ensemble wind forecasts from COSMO-DE-EPS for energy applications. In addition, an ensemble copula coupling approach transfers the time-dependencies of the raw ensemble to the calibrated ensemble. The calibrated wind forecasts are evaluated first with univariate probabilistic scores and additionally with diagnostics of wind ramps in order to assess the time-consistency of the calibrated ensemble members.
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.
Photonic quantum state transfer between a cold atomic gas and a crystal.
Maring, Nicolas; Farrera, Pau; Kutluer, Kutlu; Mazzera, Margherita; Heinze, Georg; de Riedmatten, Hugues
2017-11-22
Interfacing fundamentally different quantum systems is key to building future hybrid quantum networks. Such heterogeneous networks offer capabilities superior to those of their homogeneous counterparts, as they merge the individual advantages of disparate quantum nodes in a single network architecture. However, few investigations of optical hybrid interconnections have been carried out, owing to fundamental and technological challenges such as wavelength and bandwidth matching of the interfacing photons. Here we report optical quantum interconnection of two disparate matter quantum systems with photon storage capabilities. We show that a quantum state can be transferred faithfully between a cold atomic ensemble and a rare-earth-doped crystal by means of a single photon at 1,552 nanometre telecommunication wavelength, using cascaded quantum frequency conversion. We demonstrate that quantum correlations between a photon and a single collective spin excitation in the cold atomic ensemble can be transferred to the solid-state system. We also show that single-photon time-bin qubits generated in the cold atomic ensemble can be converted, stored and retrieved from the crystal with a conditional qubit fidelity of more than 85 per cent. Our results open up the prospect of optically connecting quantum nodes with different capabilities and represent an important step towards the realization of large-scale hybrid quantum networks.
Entanglement between two spatially separated atomic modes
NASA Astrophysics Data System (ADS)
Lange, Karsten; Peise, Jan; Lücke, Bernd; Kruse, Ilka; Vitagliano, Giuseppe; Apellaniz, Iagoba; Kleinmann, Matthias; Tóth, Géza; Klempt, Carsten
2018-04-01
Modern quantum technologies in the fields of quantum computing, quantum simulation, and quantum metrology require the creation and control of large ensembles of entangled particles. In ultracold ensembles of neutral atoms, nonclassical states have been generated with mutual entanglement among thousands of particles. The entanglement generation relies on the fundamental particle-exchange symmetry in ensembles of identical particles, which lacks the standard notion of entanglement between clearly definable subsystems. Here, we present the generation of entanglement between two spatially separated clouds by splitting an ensemble of ultracold identical particles prepared in a twin Fock state. Because the clouds can be addressed individually, our experiments open a path to exploit the available entangled states of indistinguishable particles for quantum information applications.
New technologies for examining the role of neuronal ensembles in drug addiction and fear.
Cruz, Fabio C; Koya, Eisuke; Guez-Barber, Danielle H; Bossert, Jennifer M; Lupica, Carl R; Shaham, Yavin; Hope, Bruce T
2013-11-01
Correlational data suggest that learned associations are encoded within neuronal ensembles. However, it has been difficult to prove that neuronal ensembles mediate learned behaviours because traditional pharmacological and lesion methods, and even newer cell type-specific methods, affect both activated and non-activated neurons. In addition, previous studies on synaptic and molecular alterations induced by learning did not distinguish between behaviourally activated and non-activated neurons. Here, we describe three new approaches--Daun02 inactivation, FACS sorting of activated neurons and Fos-GFP transgenic rats--that have been used to selectively target and study activated neuronal ensembles in models of conditioned drug effects and relapse. We also describe two new tools--Fos-tTA transgenic mice and inactivation of CREB-overexpressing neurons--that have been used to study the role of neuronal ensembles in conditioned fear.
Progressive freezing of interacting spins in isolated finite magnetic ensembles
NASA Astrophysics Data System (ADS)
Bhattacharya, Kakoli; Dupuis, Veronique; Le-Roy, Damien; Deb, Pritam
2017-02-01
Self-organization of magnetic nanoparticles into secondary nanostructures provides an innovative way for designing functional nanomaterials with novel properties, different from the constituent primary nanoparticles as well as their bulk counterparts. Collective magnetic properties of such complex closed packing of magnetic nanoparticles makes them more appealing than the individual magnetic nanoparticles in many technological applications. This work reports the collective magnetic behaviour of magnetic ensembles comprising of single domain Fe3O4 nanoparticles. The present work reveals that the ensemble formation is based on the re-orientation and attachment of the nanoparticles in an iso-oriented fashion at the mesoscale regime. Comprehensive dc magnetic measurements show the prevalence of strong interparticle interactions in the ensembles. Due to the close range organization of primary Fe3O4 nanoparticles in the ensemble, the spins of the individual nanoparticles interact through dipolar interactions as realized from remnant magnetization measurements. Signature of super spin glass like behaviour in the ensembles is observed in the memory studies carried out in field cooled conditions. Progressive freezing of spins in the ensembles is corroborated from the Vogel-Fulcher fit of the susceptibility data. Dynamic scaling of relaxation reasserted slow spin dynamics substantiating cluster spin glass like behaviour in the ensembles.
Visualization and classification of physiological failure modes in ensemble hemorrhage simulation
NASA Astrophysics Data System (ADS)
Zhang, Song; Pruett, William Andrew; Hester, Robert
2015-01-01
In an emergency situation such as hemorrhage, doctors need to predict which patients need immediate treatment and care. This task is difficult because of the diverse response to hemorrhage in human population. Ensemble physiological simulations provide a means to sample a diverse range of subjects and may have a better chance of containing the correct solution. However, to reveal the patterns and trends from the ensemble simulation is a challenging task. We have developed a visualization framework for ensemble physiological simulations. The visualization helps users identify trends among ensemble members, classify ensemble member into subpopulations for analysis, and provide prediction to future events by matching a new patient's data to existing ensembles. We demonstrated the effectiveness of the visualization on simulated physiological data. The lessons learned here can be applied to clinically-collected physiological data in the future.
Ensemble data assimilation in the Red Sea: sensitivity to ensemble selection and atmospheric forcing
NASA Astrophysics Data System (ADS)
Toye, Habib; Zhan, Peng; Gopalakrishnan, Ganesh; Kartadikaria, Aditya R.; Huang, Huang; Knio, Omar; Hoteit, Ibrahim
2017-07-01
We present our efforts to build an ensemble data assimilation and forecasting system for the Red Sea. The system consists of the high-resolution Massachusetts Institute of Technology general circulation model (MITgcm) to simulate ocean circulation and of the Data Research Testbed (DART) for ensemble data assimilation. DART has been configured to integrate all members of an ensemble adjustment Kalman filter (EAKF) in parallel, based on which we adapted the ensemble operations in DART to use an invariant ensemble, i.e., an ensemble Optimal Interpolation (EnOI) algorithm. This approach requires only single forward model integration in the forecast step and therefore saves substantial computational cost. To deal with the strong seasonal variability of the Red Sea, the EnOI ensemble is then seasonally selected from a climatology of long-term model outputs. Observations of remote sensing sea surface height (SSH) and sea surface temperature (SST) are assimilated every 3 days. Real-time atmospheric fields from the National Center for Environmental Prediction (NCEP) and the European Center for Medium-Range Weather Forecasts (ECMWF) are used as forcing in different assimilation experiments. We investigate the behaviors of the EAKF and (seasonal-) EnOI and compare their performances for assimilating and forecasting the circulation of the Red Sea. We further assess the sensitivity of the assimilation system to various filtering parameters (ensemble size, inflation) and atmospheric forcing.
Identification of Nanoparticle Prototypes and Archetypes.
Fernandez, Michael; Barnard, Amanda S
2015-12-22
High-throughput (HT) computational characterization of nanomaterials is poised to accelerate novel material breakthroughs. The number of possible nanomaterials is increasing exponentially along with their complexity, and so statistical and information technology will play a fundamental role in rationalizing nanomaterials HT data. We demonstrate that multivariate statistical analysis of heterogeneous ensembles can identify the truly significant nanoparticles and their most relevant properties. Virtual samples of diamond nanoparticles and graphene nanoflakes are characterized using clustering and archetypal analysis, where we find that saturated particles are defined by their geometry, while nonsaturated nanoparticles are defined by their carbon chemistry. At the complex hull of the nanostructure spaces, a combination of complex archetypes can efficiency describe a large number of members of the ensembles, whereas the regular shapes that are typically assumed to be representative can only describe a small set of the most regular morphologies. This approach provides a route toward the characterization of computationally intractable virtual nanomaterial spaces, which can aid nanomaterials discovery in the foreseen big data scenario.
Liu, Jing; Zhao, Songzheng; Wang, Gang
2018-01-01
With the development of Web 2.0 technology, social media websites have become lucrative but under-explored data sources for extracting adverse drug events (ADEs), which is a serious health problem. Besides ADE, other semantic relation types (e.g., drug indication and beneficial effect) could hold between the drug and adverse event mentions, making ADE relation extraction - distinguishing ADE relationship from other relation types - necessary. However, conducting ADE relation extraction in social media environment is not a trivial task because of the expertise-dependent, time-consuming and costly annotation process, and the feature space's high-dimensionality attributed to intrinsic characteristics of social media data. This study aims to develop a framework for ADE relation extraction using patient-generated content in social media with better performance than that delivered by previous efforts. To achieve the objective, a general semi-supervised ensemble learning framework, SSEL-ADE, was developed. The framework exploited various lexical, semantic, and syntactic features, and integrated ensemble learning and semi-supervised learning. A series of experiments were conducted to verify the effectiveness of the proposed framework. Empirical results demonstrate the effectiveness of each component of SSEL-ADE and reveal that our proposed framework outperforms most of existing ADE relation extraction methods The SSEL-ADE can facilitate enhanced ADE relation extraction performance, thereby providing more reliable support for pharmacovigilance. Moreover, the proposed semi-supervised ensemble methods have the potential of being applied to effectively deal with other social media-based problems. Copyright © 2017 Elsevier B.V. All rights reserved.
New technologies for examining neuronal ensembles in drug addiction and fear
Cruz, Fabio C.; Koya, Eisuke; Guez-Barber, Danielle H.; Bossert, Jennifer M.; Lupica, Carl R.; Shaham, Yavin; Hope, Bruce T.
2015-01-01
Correlational data suggest that learned associations are encoded within neuronal ensembles. However, it has been difficult to prove that neuronal ensembles mediate learned behaviours because traditional pharmacological and lesion methods, and even newer cell type-specific methods, affect both activated and non-activated neurons. Additionally, previous studies on synaptic and molecular alterations induced by learning did not distinguish between behaviourally activated and non-activated neurons. Here, we describe three new approaches—Daun02 inactivation, FACS sorting of activated neurons and c-fos-GFP transgenic rats — that have been used to selectively target and study activated neuronal ensembles in models of conditioned drug effects and relapse. We also describe two new tools — c-fos-tTA mice and inactivation of CREB-overexpressing neurons — that have been used to study the role of neuronal ensembles in conditioned fear. PMID:24088811
2012-01-01
Background Biomarker panels derived separately from genomic and proteomic data and with a variety of computational methods have demonstrated promising classification performance in various diseases. An open question is how to create effective proteo-genomic panels. The framework of ensemble classifiers has been applied successfully in various analytical domains to combine classifiers so that the performance of the ensemble exceeds the performance of individual classifiers. Using blood-based diagnosis of acute renal allograft rejection as a case study, we address the following question in this paper: Can acute rejection classification performance be improved by combining individual genomic and proteomic classifiers in an ensemble? Results The first part of the paper presents a computational biomarker development pipeline for genomic and proteomic data. The pipeline begins with data acquisition (e.g., from bio-samples to microarray data), quality control, statistical analysis and mining of the data, and finally various forms of validation. The pipeline ensures that the various classifiers to be combined later in an ensemble are diverse and adequate for clinical use. Five mRNA genomic and five proteomic classifiers were developed independently using single time-point blood samples from 11 acute-rejection and 22 non-rejection renal transplant patients. The second part of the paper examines five ensembles ranging in size from two to 10 individual classifiers. Performance of ensembles is characterized by area under the curve (AUC), sensitivity, and specificity, as derived from the probability of acute rejection for individual classifiers in the ensemble in combination with one of two aggregation methods: (1) Average Probability or (2) Vote Threshold. One ensemble demonstrated superior performance and was able to improve sensitivity and AUC beyond the best values observed for any of the individual classifiers in the ensemble, while staying within the range of observed specificity. The Vote Threshold aggregation method achieved improved sensitivity for all 5 ensembles, but typically at the cost of decreased specificity. Conclusion Proteo-genomic biomarker ensemble classifiers show promise in the diagnosis of acute renal allograft rejection and can improve classification performance beyond that of individual genomic or proteomic classifiers alone. Validation of our results in an international multicenter study is currently underway. PMID:23216969
Günther, Oliver P; Chen, Virginia; Freue, Gabriela Cohen; Balshaw, Robert F; Tebbutt, Scott J; Hollander, Zsuzsanna; Takhar, Mandeep; McMaster, W Robert; McManus, Bruce M; Keown, Paul A; Ng, Raymond T
2012-12-08
Biomarker panels derived separately from genomic and proteomic data and with a variety of computational methods have demonstrated promising classification performance in various diseases. An open question is how to create effective proteo-genomic panels. The framework of ensemble classifiers has been applied successfully in various analytical domains to combine classifiers so that the performance of the ensemble exceeds the performance of individual classifiers. Using blood-based diagnosis of acute renal allograft rejection as a case study, we address the following question in this paper: Can acute rejection classification performance be improved by combining individual genomic and proteomic classifiers in an ensemble? The first part of the paper presents a computational biomarker development pipeline for genomic and proteomic data. The pipeline begins with data acquisition (e.g., from bio-samples to microarray data), quality control, statistical analysis and mining of the data, and finally various forms of validation. The pipeline ensures that the various classifiers to be combined later in an ensemble are diverse and adequate for clinical use. Five mRNA genomic and five proteomic classifiers were developed independently using single time-point blood samples from 11 acute-rejection and 22 non-rejection renal transplant patients. The second part of the paper examines five ensembles ranging in size from two to 10 individual classifiers. Performance of ensembles is characterized by area under the curve (AUC), sensitivity, and specificity, as derived from the probability of acute rejection for individual classifiers in the ensemble in combination with one of two aggregation methods: (1) Average Probability or (2) Vote Threshold. One ensemble demonstrated superior performance and was able to improve sensitivity and AUC beyond the best values observed for any of the individual classifiers in the ensemble, while staying within the range of observed specificity. The Vote Threshold aggregation method achieved improved sensitivity for all 5 ensembles, but typically at the cost of decreased specificity. Proteo-genomic biomarker ensemble classifiers show promise in the diagnosis of acute renal allograft rejection and can improve classification performance beyond that of individual genomic or proteomic classifiers alone. Validation of our results in an international multicenter study is currently underway.
A Roadmap for using Agile Development in a Traditional System
NASA Technical Reports Server (NTRS)
Streiffert, Barbara; Starbird, Thomas
2006-01-01
I. Ensemble Development Group: a) Produces activity planning software for in spacecraft; b) Built on Eclipse Rich Client Platform (open source development and runtime software); c) Funded by multiple sources including the Mars Technology Program; d) Incorporated the use of Agile Development. II. Next Generation Uplink Planning System: a) Researches the Activity Planning and Sequencing Subsystem for Mars Science Laboratory (APSS); b) APSS includes Ensemble, Activity Modeling, Constraint Checking, Command Editing and Sequencing tools plus other uplink generation utilities; c) Funded by the Mars Technology Program; d) Integrates all of the tools for APSS.
Implementing the Deutsch-Jozsa algorithm with macroscopic ensembles
NASA Astrophysics Data System (ADS)
Semenenko, Henry; Byrnes, Tim
2016-05-01
Quantum computing implementations under consideration today typically deal with systems with microscopic degrees of freedom such as photons, ions, cold atoms, and superconducting circuits. The quantum information is stored typically in low-dimensional Hilbert spaces such as qubits, as quantum effects are strongest in such systems. It has, however, been demonstrated that quantum effects can be observed in mesoscopic and macroscopic systems, such as nanomechanical systems and gas ensembles. While few-qubit quantum information demonstrations have been performed with such macroscopic systems, a quantum algorithm showing exponential speedup over classical algorithms is yet to be shown. Here, we show that the Deutsch-Jozsa algorithm can be implemented with macroscopic ensembles. The encoding that we use avoids the detrimental effects of decoherence that normally plagues macroscopic implementations. We discuss two mapping procedures which can be chosen depending upon the constraints of the oracle and the experiment. Both methods have an exponential speedup over the classical case, and only require control of the ensembles at the level of the total spin of the ensembles. It is shown that both approaches reproduce the qubit Deutsch-Jozsa algorithm, and are robust under decoherence.
NASA Astrophysics Data System (ADS)
Milroy, Daniel J.; Baker, Allison H.; Hammerling, Dorit M.; Jessup, Elizabeth R.
2018-02-01
The Community Earth System Model Ensemble Consistency Test (CESM-ECT) suite was developed as an alternative to requiring bitwise identical output for quality assurance. This objective test provides a statistical measurement of consistency between an accepted ensemble created by small initial temperature perturbations and a test set of CESM simulations. In this work, we extend the CESM-ECT suite with an inexpensive and robust test for ensemble consistency that is applied to Community Atmospheric Model (CAM) output after only nine model time steps. We demonstrate that adequate ensemble variability is achieved with instantaneous variable values at the ninth step, despite rapid perturbation growth and heterogeneous variable spread. We refer to this new test as the Ultra-Fast CAM Ensemble Consistency Test (UF-CAM-ECT) and demonstrate its effectiveness in practice, including its ability to detect small-scale events and its applicability to the Community Land Model (CLM). The new ultra-fast test facilitates CESM development, porting, and optimization efforts, particularly when used to complement information from the original CESM-ECT suite of tools.
NASA Astrophysics Data System (ADS)
Wood, A. W.; Clark, E.; Newman, A. J.; Nijssen, B.; Clark, M. P.; Gangopadhyay, S.; Arnold, J. R.
2015-12-01
The US National Weather Service River Forecasting Centers are beginning to operationalize short range to medium range ensemble predictions that have been in development for several years. This practice contrasts with the traditional single-value forecast practice at these lead times not only because the ensemble forecasts offer a basis for quantifying forecast uncertainty, but also because the use of ensembles requires a greater degree of automation in the forecast workflow than is currently used. For instance, individual ensemble member forcings cannot (practically) be manually adjusted, a step not uncommon with the current single-value paradigm, thus the forecaster is required to adopt a more 'over-the-loop' role than before. The relative lack of experience among operational forecasters and forecast users (eg, water managers) in the US with over-the-loop approaches motivates the creation of a real-time demonstration and evaluation platform for exploring the potential of over-the-loop workflows to produce usable ensemble short-to-medium range forecasts, as well as long range predictions. We describe the development and early results of such an effort by a collaboration between NCAR and the two water agencies, the US Army Corps of Engineers and the US Bureau of Reclamation. Focusing on small to medium sized headwater basins around the US, and using multi-decade series of ensemble streamflow hindcasts, we also describe early results, assessing the skill of daily-updating, over-the-loop forecasts driven by a set of ensemble atmospheric outputs from the NCEP GEFS for lead times from 1-15 days.
Resonant optical spectroscopy and coherent control of Cr4+ spin ensembles in SiC and GaN
NASA Astrophysics Data System (ADS)
Koehl, William
Spins bound to point defects have emerged as an important resource in quantum information and spintronic technologies, especially as new materials systems have been developed that enable robust and precise quantum state control via optical, electronic, or mechanical degrees of freedom. In an effort to broaden the range of materials platforms available to such defect-based quantum technologies, we have recently begun exploring optically active transition metal ion spins doped into common wide-bandgap semiconductors. The spins of such ions are derived in part from unpaired d orbital electron states, suggesting in some cases that they may be portable across multiple materials systems. This in contrast to many vacancy-related defect spins such as the diamond nitrogen vacancy center or silicon carbide divacancy, which are formed primarily from the dangling bond states of the host. Here we demonstrate ensemble optical spin polarization and time-resolved optically detected magnetic resonance (ODMR) of the S = 1 electronic ground state of chromium (Cr4+) impurities in silicon carbide (SiC) and gallium nitride (GaN). We find that these impurities possess narrow optical linewidths (<8.5 GHz at cryogenic temperatures) that allow us to optically resolve the magnetic sublevels of the spins even when probing a large ensemble of many ions simultaneously. This enables us to directly polarize and probe the Cr4+ spins using straightforward optical techniques, which we then combine with coherent microwave excitation in order to characterize the dynamical properties of the ensemble. Significantly, these near-infrared emitters also possess exceptionally weak phonon sidebands, ensuring that >73% of the overall optical emission is contained within the defects' zero-phonon lines. These characteristics make the Cr4+ ion system a promising target for further study in the ongoing effort to integrate optically active quantum states within common optoelectronic materials. In collaboration with B. Diler, S. J. Whiteley, A. Bourassa, N. T. Son, E. Janzén, and D. D. Awschalom. This work supported by AFOSR, ARO, NSF MRSEC, the Argonne LDRD Program, LiLi-NFM, and the Knut and Alice Wallenberg Foundation.
ERIC Educational Resources Information Center
Hafner, Christoph A.
2014-01-01
As a result of recent developments in digital technologies, new genres as well as new contexts for communication are emerging. In view of these developments, this article argues that the scope of English language teaching be expanded beyond the traditional focus on speech and writing to the production of multimodal ensembles, drawing on a range of…
Stress-stress fluctuation formula for elastic constants in the NPT ensemble
NASA Astrophysics Data System (ADS)
Lips, Dominik; Maass, Philipp
2018-05-01
Several fluctuation formulas are available for calculating elastic constants from equilibrium correlation functions in computer simulations, but the ones available for simulations at constant pressure exhibit slow convergence properties and cannot be used for the determination of local elastic constants. To overcome these drawbacks, we derive a stress-stress fluctuation formula in the NPT ensemble based on known expressions in the NVT ensemble. We validate the formula in the NPT ensemble by calculating elastic constants for the simple nearest-neighbor Lennard-Jones crystal and by comparing the results with those obtained in the NVT ensemble. For both local and bulk elastic constants we find an excellent agreement between the simulated data in the two ensembles. To demonstrate the usefulness of the formula, we apply it to determine the elastic constants of a simulated lipid bilayer.
Alves, Pedro; Liu, Shuang; Wang, Daifeng; Gerstein, Mark
2018-01-01
Machine learning is an integral part of computational biology, and has already shown its use in various applications, such as prognostic tests. In the last few years in the non-biological machine learning community, ensembling techniques have shown their power in data mining competitions such as the Netflix challenge; however, such methods have not found wide use in computational biology. In this work, we endeavor to show how ensembling techniques can be applied to practical problems, including problems in the field of bioinformatics, and how they often outperform other machine learning techniques in both predictive power and robustness. Furthermore, we develop a methodology of ensembling, Multi-Swarm Ensemble (MSWE) by using multiple particle swarm optimizations and demonstrate its ability to further enhance the performance of ensembles.
Telecom-Wavelength Atomic Quantum Memory in Optical Fiber for Heralded Polarization Qubits.
Jin, Jeongwan; Saglamyurek, Erhan; Puigibert, Marcel lí Grimau; Verma, Varun; Marsili, Francesco; Nam, Sae Woo; Oblak, Daniel; Tittel, Wolfgang
2015-10-02
Polarization-encoded photons at telecommunication wavelengths provide a compelling platform for practical realizations of photonic quantum information technologies due to the ease of performing single qubit manipulations, the availability of polarization-entangled photon-pair sources, and the possibility of leveraging existing fiber-optic links for distributing qubits over long distances. An optical quantum memory compatible with this platform could serve as a building block for these technologies. Here we present the first experimental demonstration of an atomic quantum memory that directly allows for reversible mapping of quantum states encoded in the polarization degree of freedom of a telecom-wavelength photon. We show that heralded polarization qubits at a telecom wavelength are stored and retrieved with near-unity fidelity by implementing the atomic frequency comb protocol in an ensemble of erbium atoms doped into an optical fiber. Despite remaining limitations in our proof-of-principle demonstration such as small storage efficiency and storage time, our broadband light-matter interface reveals the potential for use in future quantum information processing.
Wang, Pei; Xianlong, Gao; Li, Haibin
2013-08-01
It is demonstrated in many thermodynamic textbooks that the equivalence of the different ensembles is achieved in the thermodynamic limit. In this present work we discuss the inequivalence of microcanonical and canonical ensembles in a finite ultracold system at low energies. We calculate the microcanonical momentum distribution function (MDF) in a system of identical fermions (bosons). We find that the microcanonical MDF deviates from the canonical one, which is the Fermi-Dirac (Bose-Einstein) function, in a finite system at low energies where the single-particle density of states and its inverse are finite.
Assimilation of water temperature and discharge data for ensemble water temperature forecasting
NASA Astrophysics Data System (ADS)
Ouellet-Proulx, Sébastien; Chimi Chiadjeu, Olivier; Boucher, Marie-Amélie; St-Hilaire, André
2017-11-01
Recent work demonstrated the value of water temperature forecasts to improve water resources allocation and highlighted the importance of quantifying their uncertainty adequately. In this study, we perform a multisite cascading ensemble assimilation of discharge and water temperature on the Nechako River (Canada) using particle filters. Hydrological and thermal initial conditions were provided to a rainfall-runoff model, coupled to a thermal module, using ensemble meteorological forecasts as inputs to produce 5 day ensemble thermal forecasts. Results show good performances of the particle filters with improvements of the accuracy of initial conditions by more than 65% compared to simulations without data assimilation for both the hydrological and the thermal component. All thermal forecasts returned continuous ranked probability scores under 0.8 °C when using a set of 40 initial conditions and meteorological forecasts comprising 20 members. A greater contribution of the initial conditions to the total uncertainty of the system for 1-dayforecasts is observed (mean ensemble spread = 1.1 °C) compared to meteorological forcings (mean ensemble spread = 0.6 °C). The inclusion of meteorological uncertainty is critical to maintain reliable forecasts and proper ensemble spread for lead times of 2 days and more. This work demonstrates the ability of the particle filters to properly update the initial conditions of a coupled hydrological and thermal model and offers insights regarding the contribution of two major sources of uncertainty to the overall uncertainty in thermal forecasts.
NASA Astrophysics Data System (ADS)
Che, Yanqiu; Yang, Tingting; Li, Ruixue; Li, Huiyan; Han, Chunxiao; Wang, Jiang; Wei, Xile
2015-09-01
In this paper, we propose a dynamic delayed feedback control approach or desynchronization of chaotic-bursting synchronous activities in an ensemble of globally coupled neuronal oscillators. We demonstrate that the difference signal between an ensemble's mean field and its time delayed state, filtered and fed back to the ensemble, can suppress the self-synchronization in the ensemble. These individual units are decoupled and stabilized at the desired desynchronized states while the stimulation signal reduces to the noise level. The effectiveness of the method is illustrated by examples of two different populations of globally coupled chaotic-bursting neurons. The proposed method has potential for mild, effective and demand-controlled therapy of neurological diseases characterized by pathological synchronization.
Constructing better classifier ensemble based on weighted accuracy and diversity measure.
Zeng, Xiaodong; Wong, Derek F; Chao, Lidia S
2014-01-01
A weighted accuracy and diversity (WAD) method is presented, a novel measure used to evaluate the quality of the classifier ensemble, assisting in the ensemble selection task. The proposed measure is motivated by a commonly accepted hypothesis; that is, a robust classifier ensemble should not only be accurate but also different from every other member. In fact, accuracy and diversity are mutual restraint factors; that is, an ensemble with high accuracy may have low diversity, and an overly diverse ensemble may negatively affect accuracy. This study proposes a method to find the balance between accuracy and diversity that enhances the predictive ability of an ensemble for unknown data. The quality assessment for an ensemble is performed such that the final score is achieved by computing the harmonic mean of accuracy and diversity, where two weight parameters are used to balance them. The measure is compared to two representative measures, Kappa-Error and GenDiv, and two threshold measures that consider only accuracy or diversity, with two heuristic search algorithms, genetic algorithm, and forward hill-climbing algorithm, in ensemble selection tasks performed on 15 UCI benchmark datasets. The empirical results demonstrate that the WAD measure is superior to others in most cases.
Constructing Better Classifier Ensemble Based on Weighted Accuracy and Diversity Measure
Chao, Lidia S.
2014-01-01
A weighted accuracy and diversity (WAD) method is presented, a novel measure used to evaluate the quality of the classifier ensemble, assisting in the ensemble selection task. The proposed measure is motivated by a commonly accepted hypothesis; that is, a robust classifier ensemble should not only be accurate but also different from every other member. In fact, accuracy and diversity are mutual restraint factors; that is, an ensemble with high accuracy may have low diversity, and an overly diverse ensemble may negatively affect accuracy. This study proposes a method to find the balance between accuracy and diversity that enhances the predictive ability of an ensemble for unknown data. The quality assessment for an ensemble is performed such that the final score is achieved by computing the harmonic mean of accuracy and diversity, where two weight parameters are used to balance them. The measure is compared to two representative measures, Kappa-Error and GenDiv, and two threshold measures that consider only accuracy or diversity, with two heuristic search algorithms, genetic algorithm, and forward hill-climbing algorithm, in ensemble selection tasks performed on 15 UCI benchmark datasets. The empirical results demonstrate that the WAD measure is superior to others in most cases. PMID:24672402
EnsembleGraph: Interactive Visual Analysis of Spatial-Temporal Behavior for Ensemble Simulation Data
DOE Office of Scientific and Technical Information (OSTI.GOV)
Shu, Qingya; Guo, Hanqi; Che, Limei
We present a novel visualization framework—EnsembleGraph— for analyzing ensemble simulation data, in order to help scientists understand behavior similarities between ensemble members over space and time. A graph-based representation is used to visualize individual spatiotemporal regions with similar behaviors, which are extracted by hierarchical clustering algorithms. A user interface with multiple-linked views is provided, which enables users to explore, locate, and compare regions that have similar behaviors between and then users can investigate and analyze the selected regions in detail. The driving application of this paper is the studies on regional emission influences over tropospheric ozone, which is based onmore » ensemble simulations conducted with different anthropogenic emission absences using the MOZART-4 (model of ozone and related tracers, version 4) model. We demonstrate the effectiveness of our method by visualizing the MOZART-4 ensemble simulation data and evaluating the relative regional emission influences on tropospheric ozone concentrations. Positive feedbacks from domain experts and two case studies prove efficiency of our method.« less
NASA Astrophysics Data System (ADS)
Liu, Li; Xu, Yue-Ping
2017-04-01
Ensemble flood forecasting driven by numerical weather prediction products is becoming more commonly used in operational flood forecasting applications.In this study, a hydrological ensemble flood forecasting system based on Variable Infiltration Capacity (VIC) model and quantitative precipitation forecasts from TIGGE dataset is constructed for Lanjiang Basin, Southeast China. The impacts of calibration strategies and ensemble methods on the performance of the system are then evaluated.The hydrological model is optimized by parallel programmed ɛ-NSGAII multi-objective algorithm and two respectively parameterized models are determined to simulate daily flows and peak flows coupled with a modular approach.The results indicatethat the ɛ-NSGAII algorithm permits more efficient optimization and rational determination on parameter setting.It is demonstrated that the multimodel ensemble streamflow mean have better skills than the best singlemodel ensemble mean (ECMWF) and the multimodel ensembles weighted on members and skill scores outperform other multimodel ensembles. For typical flood event, it is proved that the flood can be predicted 3-4 days in advance, but the flows in rising limb can be captured with only 1-2 days ahead due to the flash feature. With respect to peak flows selected by Peaks Over Threshold approach, the ensemble means from either singlemodel or multimodels are generally underestimated as the extreme values are smoothed out by ensemble process.
EFS: an ensemble feature selection tool implemented as R-package and web-application.
Neumann, Ursula; Genze, Nikita; Heider, Dominik
2017-01-01
Feature selection methods aim at identifying a subset of features that improve the prediction performance of subsequent classification models and thereby also simplify their interpretability. Preceding studies demonstrated that single feature selection methods can have specific biases, whereas an ensemble feature selection has the advantage to alleviate and compensate for these biases. The software EFS (Ensemble Feature Selection) makes use of multiple feature selection methods and combines their normalized outputs to a quantitative ensemble importance. Currently, eight different feature selection methods have been integrated in EFS, which can be used separately or combined in an ensemble. EFS identifies relevant features while compensating specific biases of single methods due to an ensemble approach. Thereby, EFS can improve the prediction accuracy and interpretability in subsequent binary classification models. EFS can be downloaded as an R-package from CRAN or used via a web application at http://EFS.heiderlab.de.
Nanni, Loris; Lumini, Alessandra
2009-01-01
The focuses of this work are: to propose a novel method for building an ensemble of classifiers for peptide classification based on substitution matrices; to show the importance to select a proper set of the parameters of the classifiers that build the ensemble of learning systems. The HIV-1 protease cleavage site prediction problem is here studied. The results obtained by a blind testing protocol are reported, the comparison with other state-of-the-art approaches, based on ensemble of classifiers, allows to quantify the performance improvement obtained by the systems proposed in this paper. The simulation based on experimentally determined protease cleavage data has demonstrated the success of these new ensemble algorithms. Particularly interesting it is to note that also if the HIV-1 protease cleavage site prediction problem is considered linearly separable we obtain the best performance using an ensemble of non-linear classifiers.
Dynamical predictive power of the generalized Gibbs ensemble revealed in a second quench.
Zhang, J M; Cui, F C; Hu, Jiangping
2012-04-01
We show that a quenched and relaxed completely integrable system is hardly distinguishable from the corresponding generalized Gibbs ensemble in a dynamical sense. To be specific, the response of the quenched and relaxed system to a second quench can be accurately reproduced by using the generalized Gibbs ensemble as a substitute. Remarkably, as demonstrated with the transverse Ising model and the hard-core bosons in one dimension, not only the steady values but even the transient, relaxation dynamics of the physical variables can be accurately reproduced by using the generalized Gibbs ensemble as a pseudoinitial state. This result is an important complement to the previously established result that a quenched and relaxed system is hardly distinguishable from the generalized Gibbs ensemble in a static sense. The relevance of the generalized Gibbs ensemble in the nonequilibrium dynamics of completely integrable systems is then greatly strengthened.
NASA Astrophysics Data System (ADS)
Tamkin, G.; Schnase, J. L.; Duffy, D.; Li, J.; Strong, S.; Thompson, J. H.
2016-12-01
We are extending climate analytics-as-a-service, including: (1) A high-performance Virtual Real-Time Analytics Testbed supporting six major reanalysis data sets using advanced technologies like the Cloudera Impala-based SQL and Hadoop-based MapReduce analytics over native NetCDF files. (2) A Reanalysis Ensemble Service (RES) that offers a basic set of commonly used operations over the reanalysis collections that are accessible through NASA's climate data analytics Web services and our client-side Climate Data Services Python library, CDSlib. (3) An Open Geospatial Consortium (OGC) WPS-compliant Web service interface to CDSLib to accommodate ESGF's Web service endpoints. This presentation will report on the overall progress of this effort, with special attention to recent enhancements that have been made to the Reanalysis Ensemble Service, including the following: - An CDSlib Python library that supports full temporal, spatial, and grid-based resolution services - A new reanalysis collections reference model to enable operator design and implementation - An enhanced library of sample queries to demonstrate and develop use case scenarios - Extended operators that enable single- and multiple reanalysis area average, vertical average, re-gridding, and trend, climatology, and anomaly computations - Full support for the MERRA-2 reanalysis and the initial integration of two additional reanalyses - A prototype Jupyter notebook-based distribution mechanism that combines CDSlib documentation with interactive use case scenarios and personalized project management - Prototyped uncertainty quantification services that combine ensemble products with comparative observational products - Convenient, one-stop shopping for commonly used data products from multiple reanalyses, including basic subsetting and arithmetic operations over the data and extractions of trends, climatologies, and anomalies - The ability to compute and visualize multiple reanalysis intercomparisons
Reducing Risk of Noise-Induced Hearing Loss in Collegiate Music Ensembles Using Ambient Technology.
Powell, Jason; Chesky, Kris
2017-09-01
Student musicians are at risk for noise-induced hearing loss (NIHL) as they develop skills and perform during instructional activities. Studies using longitudinal dosimeter data show that pedagogical procedures and instructor behaviors are highly predictive of NIHL risk, thus implying the need for innovative approaches to increase instructor competency in managing instructional activities without interfering with artistic and academic freedom. Ambient information systems, an emerging trend in human-computer interaction that infuses psychological behavioral theories into technologies, can help construct informative risk-regulating systems. The purpose of this study was to determine the effects of introducing an ambient information system into the ensemble setting. The system used two ambient displays and a counterbalanced within-subjects treatment study design with six jazz ensemble instructors to determine if the system could induce a behavior change that alters trends in measures resulting from dosimeter data. This study assessed efficacy using time series analysis to determine changes in eight statistical measures of behavior over a 9-wk period. Analysis showed that the system was effective, as all instructors showed changes in a combination of measures. This study is in an important step in developing non-interfering technology to reduce NIHL among academic musicians.
Generation, storage, and retrieval of nonclassical states of light using atomic ensembles
NASA Astrophysics Data System (ADS)
Eisaman, Matthew D.
This thesis presents the experimental demonstration of several novel methods for generating, storing, and retrieving nonclassical states of light using atomic ensembles, and describes applications of these methods to frequency-tunable single-photon generation, single-photon memory, quantum networks, and long-distance quantum communication. We first demonstrate emission of quantum-mechanically correlated pulses of light with a time delay between the pulses that is coherently controlled by utilizing 87Rb atoms. The experiment is based on Raman scattering, which produces correlated pairs of excited atoms and photons, followed by coherent conversion of the atomic states into a different photon field after a controllable delay. We then describe experiments demonstrating a novel approach for conditionally generating nonclassical pulses of light with controllable photon numbers, propagation direction, timing, and pulse shapes. We observe nonclassical correlations in relative photon number between correlated pairs of photons, and create few-photon light pulses with sub-Poissonian photon-number statistics via conditional detection on one field of the pair. Spatio-temporal control over the pulses is obtained by exploiting long-lived coherent memory for photon states and electromagnetically induced transparency (EIT) in an optically dense atomic medium. Finally, we demonstrate the use of EIT for the controllable generation, transmission, and storage of single photons with tunable frequency, timing, and bandwidth. To this end, we study the interaction of single photons produced in a "source" ensemble of 87Rb atoms at room temperature with another "target" ensemble. This allows us to simultaneously probe the spectral and quantum statistical properties of narrow-bandwidth single-photon pulses, revealing that their quantum nature is preserved under EIT propagation and storage. We measure the time delay associated with the reduced group velocity of the single-photon pulses and report observations of their storage and retrieval. Together these experiments utilize atomic ensembles to realize a narrow-bandwidth single-photon source, single-photon memory that preserves the quantum nature of the single photons, and a primitive quantum network comprised of two atomic-ensemble quantum memories connected by a single photon in an optical fiber. Each of these experimental demonstrations represents an essential element for the realization of long-distance quantum communication.
DOE Office of Scientific and Technical Information (OSTI.GOV)
D'Elia, M.; Edwards, H. C.; Hu, J.
Previous work has demonstrated that propagating groups of samples, called ensembles, together through forward simulations can dramatically reduce the aggregate cost of sampling-based uncertainty propagation methods [E. Phipps, M. D'Elia, H. C. Edwards, M. Hoemmen, J. Hu, and S. Rajamanickam, SIAM J. Sci. Comput., 39 (2017), pp. C162--C193]. However, critical to the success of this approach when applied to challenging problems of scientific interest is the grouping of samples into ensembles to minimize the total computational work. For example, the total number of linear solver iterations for ensemble systems may be strongly influenced by which samples form the ensemble whenmore » applying iterative linear solvers to parameterized and stochastic linear systems. In this paper we explore sample grouping strategies for local adaptive stochastic collocation methods applied to PDEs with uncertain input data, in particular canonical anisotropic diffusion problems where the diffusion coefficient is modeled by truncated Karhunen--Loève expansions. Finally, we demonstrate that a measure of the total anisotropy of the diffusion coefficient is a good surrogate for the number of linear solver iterations for each sample and therefore provides a simple and effective metric for grouping samples.« less
D'Elia, M.; Edwards, H. C.; Hu, J.; ...
2018-01-18
Previous work has demonstrated that propagating groups of samples, called ensembles, together through forward simulations can dramatically reduce the aggregate cost of sampling-based uncertainty propagation methods [E. Phipps, M. D'Elia, H. C. Edwards, M. Hoemmen, J. Hu, and S. Rajamanickam, SIAM J. Sci. Comput., 39 (2017), pp. C162--C193]. However, critical to the success of this approach when applied to challenging problems of scientific interest is the grouping of samples into ensembles to minimize the total computational work. For example, the total number of linear solver iterations for ensemble systems may be strongly influenced by which samples form the ensemble whenmore » applying iterative linear solvers to parameterized and stochastic linear systems. In this paper we explore sample grouping strategies for local adaptive stochastic collocation methods applied to PDEs with uncertain input data, in particular canonical anisotropic diffusion problems where the diffusion coefficient is modeled by truncated Karhunen--Loève expansions. Finally, we demonstrate that a measure of the total anisotropy of the diffusion coefficient is a good surrogate for the number of linear solver iterations for each sample and therefore provides a simple and effective metric for grouping samples.« less
Enhancing optical nonreciprocity by an atomic ensemble in two coupled cavities
NASA Astrophysics Data System (ADS)
Song, L. N.; Wang, Z. H.; Li, Yong
2018-05-01
We study the optical nonreciprocal propagation in an optical molecule of two coupled cavities with one of them interacting with a two-level atomic ensemble. The effect of increasing the number of atoms on the optical isolation ratio of the system is studied. We demonstrate that the significant nonlinearity supplied by the coupling of the atomic ensemble with the cavity leads to the realization of greatly-enhanced optical nonreciprocity compared with the case of single atom.
Quantum Gibbs ensemble Monte Carlo
DOE Office of Scientific and Technical Information (OSTI.GOV)
Fantoni, Riccardo, E-mail: rfantoni@ts.infn.it; Moroni, Saverio, E-mail: moroni@democritos.it
We present a path integral Monte Carlo method which is the full quantum analogue of the Gibbs ensemble Monte Carlo method of Panagiotopoulos to study the gas-liquid coexistence line of a classical fluid. Unlike previous extensions of Gibbs ensemble Monte Carlo to include quantum effects, our scheme is viable even for systems with strong quantum delocalization in the degenerate regime of temperature. This is demonstrated by an illustrative application to the gas-superfluid transition of {sup 4}He in two dimensions.
NASA Astrophysics Data System (ADS)
Wang, S.; Huang, G. H.; Baetz, B. W.; Huang, W.
2015-11-01
This paper presents a polynomial chaos ensemble hydrologic prediction system (PCEHPS) for an efficient and robust uncertainty assessment of model parameters and predictions, in which possibilistic reasoning is infused into probabilistic parameter inference with simultaneous consideration of randomness and fuzziness. The PCEHPS is developed through a two-stage factorial polynomial chaos expansion (PCE) framework, which consists of an ensemble of PCEs to approximate the behavior of the hydrologic model, significantly speeding up the exhaustive sampling of the parameter space. Multiple hypothesis testing is then conducted to construct an ensemble of reduced-dimensionality PCEs with only the most influential terms, which is meaningful for achieving uncertainty reduction and further acceleration of parameter inference. The PCEHPS is applied to the Xiangxi River watershed in China to demonstrate its validity and applicability. A detailed comparison between the HYMOD hydrologic model, the ensemble of PCEs, and the ensemble of reduced PCEs is performed in terms of accuracy and efficiency. Results reveal temporal and spatial variations in parameter sensitivities due to the dynamic behavior of hydrologic systems, and the effects (magnitude and direction) of parametric interactions depending on different hydrological metrics. The case study demonstrates that the PCEHPS is capable not only of capturing both expert knowledge and probabilistic information in the calibration process, but also of implementing an acceleration of more than 10 times faster than the hydrologic model without compromising the predictive accuracy.
Coherently coupling distinct spin ensembles through a high-Tc superconducting resonator
NASA Astrophysics Data System (ADS)
Ghirri, A.; Bonizzoni, C.; Troiani, F.; Buccheri, N.; Beverina, L.; Cassinese, A.; Affronte, M.
2016-06-01
The problem of coupling multiple spin ensembles through cavity photons is revisited by using (3,5-dichloro-4-pyridyl)bis(2,4,6-trichlorophenyl)methyl (PyBTM) organic radicals and a high-Tc superconducting coplanar resonator. An exceptionally strong coupling is obtained and up to three spin ensembles are simultaneously coupled. The ensembles are made physically distinguishable by chemically varying the g factor and by exploiting the inhomogeneities of the applied magnetic field. The coherent mixing of the spin and field modes is demonstrated by the observed multiple anticrossing, along with the simulations performed within the input-output formalism, and quantified by suitable entropic measures.
Ensemble Methods for Classification of Physical Activities from Wrist Accelerometry.
Chowdhury, Alok Kumar; Tjondronegoro, Dian; Chandran, Vinod; Trost, Stewart G
2017-09-01
To investigate whether the use of ensemble learning algorithms improve physical activity recognition accuracy compared to the single classifier algorithms, and to compare the classification accuracy achieved by three conventional ensemble machine learning methods (bagging, boosting, random forest) and a custom ensemble model comprising four algorithms commonly used for activity recognition (binary decision tree, k nearest neighbor, support vector machine, and neural network). The study used three independent data sets that included wrist-worn accelerometer data. For each data set, a four-step classification framework consisting of data preprocessing, feature extraction, normalization and feature selection, and classifier training and testing was implemented. For the custom ensemble, decisions from the single classifiers were aggregated using three decision fusion methods: weighted majority vote, naïve Bayes combination, and behavior knowledge space combination. Classifiers were cross-validated using leave-one subject out cross-validation and compared on the basis of average F1 scores. In all three data sets, ensemble learning methods consistently outperformed the individual classifiers. Among the conventional ensemble methods, random forest models provided consistently high activity recognition; however, the custom ensemble model using weighted majority voting demonstrated the highest classification accuracy in two of the three data sets. Combining multiple individual classifiers using conventional or custom ensemble learning methods can improve activity recognition accuracy from wrist-worn accelerometer data.
On the Likely Utility of Hybrid Weights Optimized for Variances in Hybrid Error Covariance Models
NASA Astrophysics Data System (ADS)
Satterfield, E.; Hodyss, D.; Kuhl, D.; Bishop, C. H.
2017-12-01
Because of imperfections in ensemble data assimilation schemes, one cannot assume that the ensemble covariance is equal to the true error covariance of a forecast. Previous work demonstrated how information about the distribution of true error variances given an ensemble sample variance can be revealed from an archive of (observation-minus-forecast, ensemble-variance) data pairs. Here, we derive a simple and intuitively compelling formula to obtain the mean of this distribution of true error variances given an ensemble sample variance from (observation-minus-forecast, ensemble-variance) data pairs produced by a single run of a data assimilation system. This formula takes the form of a Hybrid weighted average of the climatological forecast error variance and the ensemble sample variance. Here, we test the extent to which these readily obtainable weights can be used to rapidly optimize the covariance weights used in Hybrid data assimilation systems that employ weighted averages of static covariance models and flow-dependent ensemble based covariance models. Univariate data assimilation and multi-variate cycling ensemble data assimilation are considered. In both cases, it is found that our computationally efficient formula gives Hybrid weights that closely approximate the optimal weights found through the simple but computationally expensive process of testing every plausible combination of weights.
An efficient ensemble learning method for gene microarray classification.
Osareh, Alireza; Shadgar, Bita
2013-01-01
The gene microarray analysis and classification have demonstrated an effective way for the effective diagnosis of diseases and cancers. However, it has been also revealed that the basic classification techniques have intrinsic drawbacks in achieving accurate gene classification and cancer diagnosis. On the other hand, classifier ensembles have received increasing attention in various applications. Here, we address the gene classification issue using RotBoost ensemble methodology. This method is a combination of Rotation Forest and AdaBoost techniques which in turn preserve both desirable features of an ensemble architecture, that is, accuracy and diversity. To select a concise subset of informative genes, 5 different feature selection algorithms are considered. To assess the efficiency of the RotBoost, other nonensemble/ensemble techniques including Decision Trees, Support Vector Machines, Rotation Forest, AdaBoost, and Bagging are also deployed. Experimental results have revealed that the combination of the fast correlation-based feature selection method with ICA-based RotBoost ensemble is highly effective for gene classification. In fact, the proposed method can create ensemble classifiers which outperform not only the classifiers produced by the conventional machine learning but also the classifiers generated by two widely used conventional ensemble learning methods, that is, Bagging and AdaBoost.
A Statistical Description of Neural Ensemble Dynamics
Long, John D.; Carmena, Jose M.
2011-01-01
The growing use of multi-channel neural recording techniques in behaving animals has produced rich datasets that hold immense potential for advancing our understanding of how the brain mediates behavior. One limitation of these techniques is they do not provide important information about the underlying anatomical connections among the recorded neurons within an ensemble. Inferring these connections is often intractable because the set of possible interactions grows exponentially with ensemble size. This is a fundamental challenge one confronts when interpreting these data. Unfortunately, the combination of expert knowledge and ensemble data is often insufficient for selecting a unique model of these interactions. Our approach shifts away from modeling the network diagram of the ensemble toward analyzing changes in the dynamics of the ensemble as they relate to behavior. Our contribution consists of adapting techniques from signal processing and Bayesian statistics to track the dynamics of ensemble data on time-scales comparable with behavior. We employ a Bayesian estimator to weigh prior information against the available ensemble data, and use an adaptive quantization technique to aggregate poorly estimated regions of the ensemble data space. Importantly, our method is capable of detecting changes in both the magnitude and structure of correlations among neurons missed by firing rate metrics. We show that this method is scalable across a wide range of time-scales and ensemble sizes. Lastly, the performance of this method on both simulated and real ensemble data is used to demonstrate its utility. PMID:22319486
Distinct cognitive mechanisms involved in the processing of single objects and object ensembles
Cant, Jonathan S.; Sun, Sol Z.; Xu, Yaoda
2015-01-01
Behavioral research has demonstrated that the shape and texture of single objects can be processed independently. Similarly, neuroimaging results have shown that an object's shape and texture are processed in distinct brain regions with shape in the lateral occipital area and texture in parahippocampal cortex. Meanwhile, objects are not always seen in isolation and are often grouped together as an ensemble. We recently showed that the processing of ensembles also involves parahippocampal cortex and that the shape and texture of ensemble elements are processed together within this region. These neural data suggest that the independence seen between shape and texture in single-object perception would not be observed in object-ensemble perception. Here we tested this prediction by examining whether observers could attend to the shape of ensemble elements while ignoring changes in an unattended texture feature and vice versa. Across six behavioral experiments, we replicated previous findings of independence between shape and texture in single-object perception. In contrast, we observed that changes in an unattended ensemble feature negatively impacted the processing of an attended ensemble feature only when ensemble features were attended globally. When they were attended locally, thereby making ensemble processing similar to single-object processing, interference was abolished. Overall, these findings confirm previous neuroimaging results and suggest that distinct cognitive mechanisms may be involved in single-object and object-ensemble perception. Additionally, they show that the scope of visual attention plays a critical role in determining which type of object processing (ensemble or single object) is engaged by the visual system. PMID:26360156
Effects of ensemble and summary displays on interpretations of geospatial uncertainty data.
Padilla, Lace M; Ruginski, Ian T; Creem-Regehr, Sarah H
2017-01-01
Ensemble and summary displays are two widely used methods to represent visual-spatial uncertainty; however, there is disagreement about which is the most effective technique to communicate uncertainty to the general public. Visualization scientists create ensemble displays by plotting multiple data points on the same Cartesian coordinate plane. Despite their use in scientific practice, it is more common in public presentations to use visualizations of summary displays, which scientists create by plotting statistical parameters of the ensemble members. While prior work has demonstrated that viewers make different decisions when viewing summary and ensemble displays, it is unclear what components of the displays lead to diverging judgments. This study aims to compare the salience of visual features - or visual elements that attract bottom-up attention - as one possible source of diverging judgments made with ensemble and summary displays in the context of hurricane track forecasts. We report that salient visual features of both ensemble and summary displays influence participant judgment. Specifically, we find that salient features of summary displays of geospatial uncertainty can be misunderstood as displaying size information. Further, salient features of ensemble displays evoke judgments that are indicative of accurate interpretations of the underlying probability distribution of the ensemble data. However, when participants use ensemble displays to make point-based judgments, they may overweight individual ensemble members in their decision-making process. We propose that ensemble displays are a promising alternative to summary displays in a geospatial context but that decisions about visualization methods should be informed by the viewer's task.
An Ensemble-Based Smoother with Retrospectively Updated Weights for Highly Nonlinear Systems
NASA Technical Reports Server (NTRS)
Chin, T. M.; Turmon, M. J.; Jewell, J. B.; Ghil, M.
2006-01-01
Monte Carlo computational methods have been introduced into data assimilation for nonlinear systems in order to alleviate the computational burden of updating and propagating the full probability distribution. By propagating an ensemble of representative states, algorithms like the ensemble Kalman filter (EnKF) and the resampled particle filter (RPF) rely on the existing modeling infrastructure to approximate the distribution based on the evolution of this ensemble. This work presents an ensemble-based smoother that is applicable to the Monte Carlo filtering schemes like EnKF and RPF. At the minor cost of retrospectively updating a set of weights for ensemble members, this smoother has demonstrated superior capabilities in state tracking for two highly nonlinear problems: the double-well potential and trivariate Lorenz systems. The algorithm does not require retrospective adaptation of the ensemble members themselves, and it is thus suited to a streaming operational mode. The accuracy of the proposed backward-update scheme in estimating non-Gaussian distributions is evaluated by comparison to the more accurate estimates provided by a Markov chain Monte Carlo algorithm.
A hybrid variational ensemble data assimilation for the HIgh Resolution Limited Area Model (HIRLAM)
NASA Astrophysics Data System (ADS)
Gustafsson, N.; Bojarova, J.; Vignes, O.
2014-02-01
A hybrid variational ensemble data assimilation has been developed on top of the HIRLAM variational data assimilation. It provides the possibility of applying a flow-dependent background error covariance model during the data assimilation at the same time as full rank characteristics of the variational data assimilation are preserved. The hybrid formulation is based on an augmentation of the assimilation control variable with localised weights to be assigned to a set of ensemble member perturbations (deviations from the ensemble mean). The flow-dependency of the hybrid assimilation is demonstrated in single simulated observation impact studies and the improved performance of the hybrid assimilation in comparison with pure 3-dimensional variational as well as pure ensemble assimilation is also proven in real observation assimilation experiments. The performance of the hybrid assimilation is comparable to the performance of the 4-dimensional variational data assimilation. The sensitivity to various parameters of the hybrid assimilation scheme and the sensitivity to the applied ensemble generation techniques are also examined. In particular, the inclusion of ensemble perturbations with a lagged validity time has been examined with encouraging results.
Exploring diversity in ensemble classification: Applications in large area land cover mapping
NASA Astrophysics Data System (ADS)
Mellor, Andrew; Boukir, Samia
2017-07-01
Ensemble classifiers, such as random forests, are now commonly applied in the field of remote sensing, and have been shown to perform better than single classifier systems, resulting in reduced generalisation error. Diversity across the members of ensemble classifiers is known to have a strong influence on classification performance - whereby classifier errors are uncorrelated and more uniformly distributed across ensemble members. The relationship between ensemble diversity and classification performance has not yet been fully explored in the fields of information science and machine learning and has never been examined in the field of remote sensing. This study is a novel exploration of ensemble diversity and its link to classification performance, applied to a multi-class canopy cover classification problem using random forests and multisource remote sensing and ancillary GIS data, across seven million hectares of diverse dry-sclerophyll dominated public forests in Victoria Australia. A particular emphasis is placed on analysing the relationship between ensemble diversity and ensemble margin - two key concepts in ensemble learning. The main novelty of our work is on boosting diversity by emphasizing the contribution of lower margin instances used in the learning process. Exploring the influence of tree pruning on diversity is also a new empirical analysis that contributes to a better understanding of ensemble performance. Results reveal insights into the trade-off between ensemble classification accuracy and diversity, and through the ensemble margin, demonstrate how inducing diversity by targeting lower margin training samples is a means of achieving better classifier performance for more difficult or rarer classes and reducing information redundancy in classification problems. Our findings inform strategies for collecting training data and designing and parameterising ensemble classifiers, such as random forests. This is particularly important in large area remote sensing applications, for which training data is costly and resource intensive to collect.
Scalable quantum information processing with atomic ensembles and flying photons
DOE Office of Scientific and Technical Information (OSTI.GOV)
Mei Feng; Yu Yafei; Feng Mang
2009-10-15
We present a scheme for scalable quantum information processing with atomic ensembles and flying photons. Using the Rydberg blockade, we encode the qubits in the collective atomic states, which could be manipulated fast and easily due to the enhanced interaction in comparison to the single-atom case. We demonstrate that our proposed gating could be applied to generation of two-dimensional cluster states for measurement-based quantum computation. Moreover, the atomic ensembles also function as quantum repeaters useful for long-distance quantum state transfer. We show the possibility of our scheme to work in bad cavity or in weak coupling regime, which could muchmore » relax the experimental requirement. The efficient coherent operations on the ensemble qubits enable our scheme to be switchable between quantum computation and quantum communication using atomic ensembles.« less
Glyph-based analysis of multimodal directional distributions in vector field ensembles
NASA Astrophysics Data System (ADS)
Jarema, Mihaela; Demir, Ismail; Kehrer, Johannes; Westermann, Rüdiger
2015-04-01
Ensemble simulations are increasingly often performed in the geosciences in order to study the uncertainty and variability of model predictions. Describing ensemble data by mean and standard deviation can be misleading in case of multimodal distributions. We present first results of a glyph-based visualization of multimodal directional distributions in 2D and 3D vector ensemble data. Directional information on the circle/sphere is modeled using mixtures of probability density functions (pdfs), which enables us to characterize the distributions with relatively few parameters. The resulting mixture models are represented by 2D and 3D lobular glyphs showing direction, spread and strength of each principal mode of the distributions. A 3D extension of our approach is realized by means of an efficient GPU rendering technique. We demonstrate our method in the context of ensemble weather simulations.
Developing Novel Frameworks for Many-Body Ensembles
2016-03-17
RETURN YOUR FORM TO THE ABOVE ADDRESS. Massachusetts Institute of Technology (MIT) 77 Massachusetts Ave. NE18-901 Cambridge , MA 02139 -4307 15-Jul-2015...of-equilibrium dynamics and to estimate prob- Page 4 of 9 Figure 2: Illustration of the dendro- gram representation. The rectangle on the left shows...isolation as illustrated in Figure 4. Starting from random initial conditions, an ensemble of particle pairs was simulated to establish the long-time
Kalman filter data assimilation: targeting observations and parameter estimation.
Bellsky, Thomas; Kostelich, Eric J; Mahalov, Alex
2014-06-01
This paper studies the effect of targeted observations on state and parameter estimates determined with Kalman filter data assimilation (DA) techniques. We first provide an analytical result demonstrating that targeting observations within the Kalman filter for a linear model can significantly reduce state estimation error as opposed to fixed or randomly located observations. We next conduct observing system simulation experiments for a chaotic model of meteorological interest, where we demonstrate that the local ensemble transform Kalman filter (LETKF) with targeted observations based on largest ensemble variance is skillful in providing more accurate state estimates than the LETKF with randomly located observations. Additionally, we find that a hybrid ensemble Kalman filter parameter estimation method accurately updates model parameters within the targeted observation context to further improve state estimation.
Kalman filter data assimilation: Targeting observations and parameter estimation
DOE Office of Scientific and Technical Information (OSTI.GOV)
Bellsky, Thomas, E-mail: bellskyt@asu.edu; Kostelich, Eric J.; Mahalov, Alex
2014-06-15
This paper studies the effect of targeted observations on state and parameter estimates determined with Kalman filter data assimilation (DA) techniques. We first provide an analytical result demonstrating that targeting observations within the Kalman filter for a linear model can significantly reduce state estimation error as opposed to fixed or randomly located observations. We next conduct observing system simulation experiments for a chaotic model of meteorological interest, where we demonstrate that the local ensemble transform Kalman filter (LETKF) with targeted observations based on largest ensemble variance is skillful in providing more accurate state estimates than the LETKF with randomly locatedmore » observations. Additionally, we find that a hybrid ensemble Kalman filter parameter estimation method accurately updates model parameters within the targeted observation context to further improve state estimation.« less
Role of Forcing Uncertainty and Background Model Error Characterization in Snow Data Assimilation
NASA Technical Reports Server (NTRS)
Kumar, Sujay V.; Dong, Jiarul; Peters-Lidard, Christa D.; Mocko, David; Gomez, Breogan
2017-01-01
Accurate specification of the model error covariances in data assimilation systems is a challenging issue. Ensemble land data assimilation methods rely on stochastic perturbations of input forcing and model prognostic fields for developing representations of input model error covariances. This article examines the limitations of using a single forcing dataset for specifying forcing uncertainty inputs for assimilating snow depth retrievals. Using an idealized data assimilation experiment, the article demonstrates that the use of hybrid forcing input strategies (either through the use of an ensemble of forcing products or through the added use of the forcing climatology) provide a better characterization of the background model error, which leads to improved data assimilation results, especially during the snow accumulation and melt-time periods. The use of hybrid forcing ensembles is then employed for assimilating snow depth retrievals from the AMSR2 (Advanced Microwave Scanning Radiometer 2) instrument over two domains in the continental USA with different snow evolution characteristics. Over a region near the Great Lakes, where the snow evolution tends to be ephemeral, the use of hybrid forcing ensembles provides significant improvements relative to the use of a single forcing dataset. Over the Colorado headwaters characterized by large snow accumulation, the impact of using the forcing ensemble is less prominent and is largely limited to the snow transition time periods. The results of the article demonstrate that improving the background model error through the use of a forcing ensemble enables the assimilation system to better incorporate the observational information.
NASA Astrophysics Data System (ADS)
Dementev, A. O.; Dmitriev, E. V.; Kozoderov, V. V.; Egorov, V. D.
2017-10-01
Hyperspectral imaging is up-to-date promising technology widely applied for the accurate thematic mapping. The presence of a large number of narrow survey channels allows us to use subtle differences in spectral characteristics of objects and to make a more detailed classification than in the case of using standard multispectral data. The difficulties encountered in the processing of hyperspectral images are usually associated with the redundancy of spectral information which leads to the problem of the curse of dimensionality. Methods currently used for recognizing objects on multispectral and hyperspectral images are usually based on standard base supervised classification algorithms of various complexity. Accuracy of these algorithms can be significantly different depending on considered classification tasks. In this paper we study the performance of ensemble classification methods for the problem of classification of the forest vegetation. Error correcting output codes and boosting are tested on artificial data and real hyperspectral images. It is demonstrates, that boosting gives more significant improvement when used with simple base classifiers. The accuracy in this case in comparable the error correcting output code (ECOC) classifier with Gaussian kernel SVM base algorithm. However the necessity of boosting ECOC with Gaussian kernel SVM is questionable. It is demonstrated, that selected ensemble classifiers allow us to recognize forest species with high enough accuracy which can be compared with ground-based forest inventory data.
Exploring size and state dynamics in CdSe quantum dots using two-dimensional electronic spectroscopy
Caram, Justin R.; Zheng, Haibin; Dahlberg, Peter D.; Rolczynski, Brian S.; Griffin, Graham B.; Dolzhnikov, Dmitriy S.; Talapin, Dmitri V.; Engel, Gregory S.
2014-01-01
Development of optoelectronic technologies based on quantum dots depends on measuring, optimizing, and ultimately predicting charge carrier dynamics in the nanocrystal. In such systems, size inhomogeneity and the photoexcited population distribution among various excitonic states have distinct effects on electron and hole relaxation, which are difficult to distinguish spectroscopically. Two-dimensional electronic spectroscopy can help to untangle these effects by resolving excitation energy and subsequent nonlinear response in a single experiment. Using a filament-generated continuum as a pump and probe source, we collect two-dimensional spectra with sufficient spectral bandwidth to follow dynamics upon excitation of the lowest three optical transitions in a polydisperse ensemble of colloidal CdSe quantum dots. We first compare to prior transient absorption studies to confirm excitation-state-dependent dynamics such as increased surface-trapping upon excitation of hot electrons. Second, we demonstrate fast band-edge electron-hole pair solvation by ligand and phonon modes, as the ensemble relaxes to the photoluminescent state on a sub-picosecond time-scale. Third, we find that static disorder due to size polydispersity dominates the nonlinear response upon excitation into the hot electron manifold; this broadening mechanism stands in contrast to that of the band-edge exciton. Finally, we demonstrate excitation-energy dependent hot-carrier relaxation rates, and we describe how two-dimensional electronic spectroscopy can complement other transient nonlinear techniques. PMID:24588185
Locally Weighted Ensemble Clustering.
Huang, Dong; Wang, Chang-Dong; Lai, Jian-Huang
2018-05-01
Due to its ability to combine multiple base clusterings into a probably better and more robust clustering, the ensemble clustering technique has been attracting increasing attention in recent years. Despite the significant success, one limitation to most of the existing ensemble clustering methods is that they generally treat all base clusterings equally regardless of their reliability, which makes them vulnerable to low-quality base clusterings. Although some efforts have been made to (globally) evaluate and weight the base clusterings, yet these methods tend to view each base clustering as an individual and neglect the local diversity of clusters inside the same base clustering. It remains an open problem how to evaluate the reliability of clusters and exploit the local diversity in the ensemble to enhance the consensus performance, especially, in the case when there is no access to data features or specific assumptions on data distribution. To address this, in this paper, we propose a novel ensemble clustering approach based on ensemble-driven cluster uncertainty estimation and local weighting strategy. In particular, the uncertainty of each cluster is estimated by considering the cluster labels in the entire ensemble via an entropic criterion. A novel ensemble-driven cluster validity measure is introduced, and a locally weighted co-association matrix is presented to serve as a summary for the ensemble of diverse clusters. With the local diversity in ensembles exploited, two novel consensus functions are further proposed. Extensive experiments on a variety of real-world datasets demonstrate the superiority of the proposed approach over the state-of-the-art.
NASA Astrophysics Data System (ADS)
Yan, Y.; Barth, A.; Beckers, J. M.; Candille, G.; Brankart, J. M.; Brasseur, P.
2015-07-01
Sea surface height, sea surface temperature, and temperature profiles at depth collected between January and December 2005 are assimilated into a realistic eddy permitting primitive equation model of the North Atlantic Ocean using the Ensemble Kalman Filter. Sixty ensemble members are generated by adding realistic noise to the forcing parameters related to the temperature. The ensemble is diagnosed and validated by comparison between the ensemble spread and the model/observation difference, as well as by rank histogram before the assimilation experiments. An incremental analysis update scheme is applied in order to reduce spurious oscillations due to the model state correction. The results of the assimilation are assessed according to both deterministic and probabilistic metrics with independent/semiindependent observations. For deterministic validation, the ensemble means, together with the ensemble spreads are compared to the observations, in order to diagnose the ensemble distribution properties in a deterministic way. For probabilistic validation, the continuous ranked probability score (CRPS) is used to evaluate the ensemble forecast system according to reliability and resolution. The reliability is further decomposed into bias and dispersion by the reduced centered random variable (RCRV) score in order to investigate the reliability properties of the ensemble forecast system. The improvement of the assimilation is demonstrated using these validation metrics. Finally, the deterministic validation and the probabilistic validation are analyzed jointly. The consistency and complementarity between both validations are highlighted.
ERIC Educational Resources Information Center
Goggins, Sean P.
2014-01-01
This paper presents the results of a 9-month ethnographic and action research study of rural technology workers where computer support for collaborative learning through workplace technologies was introduced to a US-based technology firm. Throughout the implementation of this support and participation, issues related to geographic isolation are…
Cases, Simulacra, and Semantic Web Technologies
ERIC Educational Resources Information Center
Carmichael, P.; Tscholl, M.
2013-01-01
"Ensemble" is an interdisciplinary research and development project exploring the potential role of emerging Semantic Web technologies in case-based learning across learning environments in higher education. Empirical findings have challenged the claim that cases "bring reality into the classroom" and that this, in turn, might…
New Styles, New Technologies, New Possibilities in Jazz.
ERIC Educational Resources Information Center
Kuzmich, John, Jr.
1989-01-01
Focuses on the growth of jazz-related ensembles and jazz education. Covers trends that parallel technological developments including electronic keyboards, Musical Instrument Digital Interface (MIDI) systems, the computer, computer assisted instruction, interactive video, and the compact disc. Urges teachers to update their knowledge and experience…
2010-01-01
Background The maturing field of genomics is rapidly increasing the number of sequenced genomes and producing more information from those previously sequenced. Much of this additional information is variation data derived from sampling multiple individuals of a given species with the goal of discovering new variants and characterising the population frequencies of the variants that are already known. These data have immense value for many studies, including those designed to understand evolution and connect genotype to phenotype. Maximising the utility of the data requires that it be stored in an accessible manner that facilitates the integration of variation data with other genome resources such as gene annotation and comparative genomics. Description The Ensembl project provides comprehensive and integrated variation resources for a wide variety of chordate genomes. This paper provides a detailed description of the sources of data and the methods for creating the Ensembl variation databases. It also explores the utility of the information by explaining the range of query options available, from using interactive web displays, to online data mining tools and connecting directly to the data servers programmatically. It gives a good overview of the variation resources and future plans for expanding the variation data within Ensembl. Conclusions Variation data is an important key to understanding the functional and phenotypic differences between individuals. The development of new sequencing and genotyping technologies is greatly increasing the amount of variation data known for almost all genomes. The Ensembl variation resources are integrated into the Ensembl genome browser and provide a comprehensive way to access this data in the context of a widely used genome bioinformatics system. All Ensembl data is freely available at http://www.ensembl.org and from the public MySQL database server at ensembldb.ensembl.org. PMID:20459805
Time-dependent generalized Gibbs ensembles in open quantum systems
NASA Astrophysics Data System (ADS)
Lange, Florian; Lenarčič, Zala; Rosch, Achim
2018-04-01
Generalized Gibbs ensembles have been used as powerful tools to describe the steady state of integrable many-particle quantum systems after a sudden change of the Hamiltonian. Here, we demonstrate numerically that they can be used for a much broader class of problems. We consider integrable systems in the presence of weak perturbations which break both integrability and drive the system to a state far from equilibrium. Under these conditions, we show that the steady state and the time evolution on long timescales can be accurately described by a (truncated) generalized Gibbs ensemble with time-dependent Lagrange parameters, determined from simple rate equations. We compare the numerically exact time evolutions of density matrices for small systems with a theory based on block-diagonal density matrices (diagonal ensemble) and a time-dependent generalized Gibbs ensemble containing only a small number of approximately conserved quantities, using the one-dimensional Heisenberg model with perturbations described by Lindblad operators as an example.
Phase-selective entrainment of nonlinear oscillator ensembles
Zlotnik, Anatoly V.; Nagao, Raphael; Kiss, Istvan Z.; ...
2016-03-18
The ability to organize and finely manipulate the hierarchy and timing of dynamic processes is important for understanding and influencing brain functions, sleep and metabolic cycles, and many other natural phenomena. However, establishing spatiotemporal structures in biological oscillator ensembles is a challenging task that requires controlling large collections of complex nonlinear dynamical units. In this report, we present a method to design entrainment signals that create stable phase patterns in ensembles of heterogeneous nonlinear oscillators without using state feedback information. We demonstrate the approach using experiments with electrochemical reactions on multielectrode arrays, in which we selectively assign ensemble subgroups intomore » spatiotemporal patterns with multiple phase clusters. As a result, the experimentally confirmed mechanism elucidates the connection between the phases and natural frequencies of a collection of dynamical elements, the spatial and temporal information that is encoded within this ensemble, and how external signals can be used to retrieve this information.« less
Multiple-instance ensemble learning for hyperspectral images
NASA Astrophysics Data System (ADS)
Ergul, Ugur; Bilgin, Gokhan
2017-10-01
An ensemble framework for multiple-instance (MI) learning (MIL) is introduced for use in hyperspectral images (HSIs) by inspiring the bagging (bootstrap aggregation) method in ensemble learning. Ensemble-based bagging is performed by a small percentage of training samples, and MI bags are formed by a local windowing process with variable window sizes on selected instances. In addition to bootstrap aggregation, random subspace is another method used to diversify base classifiers. The proposed method is implemented using four MIL classification algorithms. The classifier model learning phase is carried out with MI bags, and the estimation phase is performed over single-test instances. In the experimental part of the study, two different HSIs that have ground-truth information are used, and comparative results are demonstrated with state-of-the-art classification methods. In general, the MI ensemble approach produces more compact results in terms of both diversity and error compared to equipollent non-MIL algorithms.
Quantum Ensemble Classification: A Sampling-Based Learning Control Approach.
Chen, Chunlin; Dong, Daoyi; Qi, Bo; Petersen, Ian R; Rabitz, Herschel
2017-06-01
Quantum ensemble classification (QEC) has significant applications in discrimination of atoms (or molecules), separation of isotopes, and quantum information extraction. However, quantum mechanics forbids deterministic discrimination among nonorthogonal states. The classification of inhomogeneous quantum ensembles is very challenging, since there exist variations in the parameters characterizing the members within different classes. In this paper, we recast QEC as a supervised quantum learning problem. A systematic classification methodology is presented by using a sampling-based learning control (SLC) approach for quantum discrimination. The classification task is accomplished via simultaneously steering members belonging to different classes to their corresponding target states (e.g., mutually orthogonal states). First, a new discrimination method is proposed for two similar quantum systems. Then, an SLC method is presented for QEC. Numerical results demonstrate the effectiveness of the proposed approach for the binary classification of two-level quantum ensembles and the multiclass classification of multilevel quantum ensembles.
On the statistical equivalence of restrained-ensemble simulations with the maximum entropy method
Roux, Benoît; Weare, Jonathan
2013-01-01
An issue of general interest in computer simulations is to incorporate information from experiments into a structural model. An important caveat in pursuing this goal is to avoid corrupting the resulting model with spurious and arbitrary biases. While the problem of biasing thermodynamic ensembles can be formulated rigorously using the maximum entropy method introduced by Jaynes, the approach can be cumbersome in practical applications with the need to determine multiple unknown coefficients iteratively. A popular alternative strategy to incorporate the information from experiments is to rely on restrained-ensemble molecular dynamics simulations. However, the fundamental validity of this computational strategy remains in question. Here, it is demonstrated that the statistical distribution produced by restrained-ensemble simulations is formally consistent with the maximum entropy method of Jaynes. This clarifies the underlying conditions under which restrained-ensemble simulations will yield results that are consistent with the maximum entropy method. PMID:23464140
Phase-selective entrainment of nonlinear oscillator ensembles
DOE Office of Scientific and Technical Information (OSTI.GOV)
Zlotnik, Anatoly V.; Nagao, Raphael; Kiss, Istvan Z.
The ability to organize and finely manipulate the hierarchy and timing of dynamic processes is important for understanding and influencing brain functions, sleep and metabolic cycles, and many other natural phenomena. However, establishing spatiotemporal structures in biological oscillator ensembles is a challenging task that requires controlling large collections of complex nonlinear dynamical units. In this report, we present a method to design entrainment signals that create stable phase patterns in ensembles of heterogeneous nonlinear oscillators without using state feedback information. We demonstrate the approach using experiments with electrochemical reactions on multielectrode arrays, in which we selectively assign ensemble subgroups intomore » spatiotemporal patterns with multiple phase clusters. As a result, the experimentally confirmed mechanism elucidates the connection between the phases and natural frequencies of a collection of dynamical elements, the spatial and temporal information that is encoded within this ensemble, and how external signals can be used to retrieve this information.« less
AUC-Maximizing Ensembles through Metalearning.
LeDell, Erin; van der Laan, Mark J; Petersen, Maya
2016-05-01
Area Under the ROC Curve (AUC) is often used to measure the performance of an estimator in binary classification problems. An AUC-maximizing classifier can have significant advantages in cases where ranking correctness is valued or if the outcome is rare. In a Super Learner ensemble, maximization of the AUC can be achieved by the use of an AUC-maximining metalearning algorithm. We discuss an implementation of an AUC-maximization technique that is formulated as a nonlinear optimization problem. We also evaluate the effectiveness of a large number of different nonlinear optimization algorithms to maximize the cross-validated AUC of the ensemble fit. The results provide evidence that AUC-maximizing metalearners can, and often do, out-perform non-AUC-maximizing metalearning methods, with respect to ensemble AUC. The results also demonstrate that as the level of imbalance in the training data increases, the Super Learner ensemble outperforms the top base algorithm by a larger degree.
AUC-Maximizing Ensembles through Metalearning
LeDell, Erin; van der Laan, Mark J.; Peterson, Maya
2016-01-01
Area Under the ROC Curve (AUC) is often used to measure the performance of an estimator in binary classification problems. An AUC-maximizing classifier can have significant advantages in cases where ranking correctness is valued or if the outcome is rare. In a Super Learner ensemble, maximization of the AUC can be achieved by the use of an AUC-maximining metalearning algorithm. We discuss an implementation of an AUC-maximization technique that is formulated as a nonlinear optimization problem. We also evaluate the effectiveness of a large number of different nonlinear optimization algorithms to maximize the cross-validated AUC of the ensemble fit. The results provide evidence that AUC-maximizing metalearners can, and often do, out-perform non-AUC-maximizing metalearning methods, with respect to ensemble AUC. The results also demonstrate that as the level of imbalance in the training data increases, the Super Learner ensemble outperforms the top base algorithm by a larger degree. PMID:27227721
Phase-selective entrainment of nonlinear oscillator ensembles
NASA Astrophysics Data System (ADS)
Zlotnik, Anatoly; Nagao, Raphael; Kiss, István Z.; Li-Shin, Jr.
2016-03-01
The ability to organize and finely manipulate the hierarchy and timing of dynamic processes is important for understanding and influencing brain functions, sleep and metabolic cycles, and many other natural phenomena. However, establishing spatiotemporal structures in biological oscillator ensembles is a challenging task that requires controlling large collections of complex nonlinear dynamical units. In this report, we present a method to design entrainment signals that create stable phase patterns in ensembles of heterogeneous nonlinear oscillators without using state feedback information. We demonstrate the approach using experiments with electrochemical reactions on multielectrode arrays, in which we selectively assign ensemble subgroups into spatiotemporal patterns with multiple phase clusters. The experimentally confirmed mechanism elucidates the connection between the phases and natural frequencies of a collection of dynamical elements, the spatial and temporal information that is encoded within this ensemble, and how external signals can be used to retrieve this information.
Coherent Spin Control at the Quantum Level in an Ensemble-Based Optical Memory.
Jobez, Pierre; Laplane, Cyril; Timoney, Nuala; Gisin, Nicolas; Ferrier, Alban; Goldner, Philippe; Afzelius, Mikael
2015-06-12
Long-lived quantum memories are essential components of a long-standing goal of remote distribution of entanglement in quantum networks. These can be realized by storing the quantum states of light as single-spin excitations in atomic ensembles. However, spin states are often subjected to different dephasing processes that limit the storage time, which in principle could be overcome using spin-echo techniques. Theoretical studies suggest this to be challenging due to unavoidable spontaneous emission noise in ensemble-based quantum memories. Here, we demonstrate spin-echo manipulation of a mean spin excitation of 1 in a large solid-state ensemble, generated through storage of a weak optical pulse. After a storage time of about 1 ms we optically read-out the spin excitation with a high signal-to-noise ratio. Our results pave the way for long-duration optical quantum storage using spin-echo techniques for any ensemble-based memory.
Embedded feature ranking for ensemble MLP classifiers.
Windeatt, Terry; Duangsoithong, Rakkrit; Smith, Raymond
2011-06-01
A feature ranking scheme for multilayer perceptron (MLP) ensembles is proposed, along with a stopping criterion based upon the out-of-bootstrap estimate. To solve multi-class problems feature ranking is combined with modified error-correcting output coding. Experimental results on benchmark data demonstrate the versatility of the MLP base classifier in removing irrelevant features.
Peculiar spectral statistics of ensembles of trees and star-like graphs
NASA Astrophysics Data System (ADS)
Kovaleva, V.; Maximov, Yu; Nechaev, S.; Valba, O.
2017-07-01
In this paper we investigate the eigenvalue statistics of exponentially weighted ensembles of full binary trees and p-branching star graphs. We show that spectral densities of corresponding adjacency matrices demonstrate peculiar ultrametric structure inherent to sparse systems. In particular, the tails of the distribution for binary trees share the ‘Lifshitz singularity’ emerging in the one-dimensional localization, while the spectral statistics of p-branching star-like graphs is less universal, being strongly dependent on p. The hierarchical structure of spectra of adjacency matrices is interpreted as sets of resonance frequencies, that emerge in ensembles of fully branched tree-like systems, known as dendrimers. However, the relaxational spectrum is not determined by the cluster topology, but has rather the number-theoretic origin, reflecting the peculiarities of the rare-event statistics typical for one-dimensional systems with a quenched structural disorder. The similarity of spectral densities of an individual dendrimer and of an ensemble of linear chains with exponential distribution in lengths, demonstrates that dendrimers could be served as simple disorder-less toy models of one-dimensional systems with quenched disorder.
Peculiar spectral statistics of ensembles of trees and star-like graphs
Kovaleva, V.; Maximov, Yu; Nechaev, S.; ...
2017-07-11
In this paper we investigate the eigenvalue statistics of exponentially weighted ensembles of full binary trees and p-branching star graphs. We show that spectral densities of corresponding adjacency matrices demonstrate peculiar ultrametric structure inherent to sparse systems. In particular, the tails of the distribution for binary trees share the \\Lifshitz singularity" emerging in the onedimensional localization, while the spectral statistics of p-branching star-like graphs is less universal, being strongly dependent on p. The hierarchical structure of spectra of adjacency matrices is interpreted as sets of resonance frequencies, that emerge in ensembles of fully branched tree-like systems, known as dendrimers. However,more » the relaxational spectrum is not determined by the cluster topology, but has rather the number-theoretic origin, re ecting the peculiarities of the rare-event statistics typical for one-dimensional systems with a quenched structural disorder. The similarity of spectral densities of an individual dendrimer and of ensemble of linear chains with exponential distribution in lengths, demonstrates that dendrimers could be served as simple disorder-less toy models of one-dimensional systems with quenched disorder.« less
Peculiar spectral statistics of ensembles of trees and star-like graphs
DOE Office of Scientific and Technical Information (OSTI.GOV)
Kovaleva, V.; Maximov, Yu; Nechaev, S.
In this paper we investigate the eigenvalue statistics of exponentially weighted ensembles of full binary trees and p-branching star graphs. We show that spectral densities of corresponding adjacency matrices demonstrate peculiar ultrametric structure inherent to sparse systems. In particular, the tails of the distribution for binary trees share the \\Lifshitz singularity" emerging in the onedimensional localization, while the spectral statistics of p-branching star-like graphs is less universal, being strongly dependent on p. The hierarchical structure of spectra of adjacency matrices is interpreted as sets of resonance frequencies, that emerge in ensembles of fully branched tree-like systems, known as dendrimers. However,more » the relaxational spectrum is not determined by the cluster topology, but has rather the number-theoretic origin, re ecting the peculiarities of the rare-event statistics typical for one-dimensional systems with a quenched structural disorder. The similarity of spectral densities of an individual dendrimer and of ensemble of linear chains with exponential distribution in lengths, demonstrates that dendrimers could be served as simple disorder-less toy models of one-dimensional systems with quenched disorder.« less
Mode locking of electron spin coherences in singly charged quantum dots.
Greilich, A; Yakovlev, D R; Shabaev, A; Efros, Al L; Yugova, I A; Oulton, R; Stavarache, V; Reuter, D; Wieck, A; Bayer, M
2006-07-21
The fast dephasing of electron spins in an ensemble of quantum dots is detrimental for applications in quantum information processing. We show here that dephasing can be overcome by using a periodic train of light pulses to synchronize the phases of the precessing spins, and we demonstrate this effect in an ensemble of singly charged (In,Ga)As/GaAs quantum dots. This mode locking leads to constructive interference of contributions to Faraday rotation and presents potential applications based on robust quantum coherence within an ensemble of dots.
Ensemble of Thermostatically Controlled Loads: Statistical Physics Approach.
Chertkov, Michael; Chernyak, Vladimir
2017-08-17
Thermostatically controlled loads, e.g., air conditioners and heaters, are by far the most widespread consumers of electricity. Normally the devices are calibrated to provide the so-called bang-bang control - changing from on to off, and vice versa, depending on temperature. We considered aggregation of a large group of similar devices into a statistical ensemble, where the devices operate following the same dynamics, subject to stochastic perturbations and randomized, Poisson on/off switching policy. Using theoretical and computational tools of statistical physics, we analyzed how the ensemble relaxes to a stationary distribution and established a relationship between the relaxation and the statistics of the probability flux associated with devices' cycling in the mixed (discrete, switch on/off, and continuous temperature) phase space. This allowed us to derive the spectrum of the non-equilibrium (detailed balance broken) statistical system and uncover how switching policy affects oscillatory trends and the speed of the relaxation. Relaxation of the ensemble is of practical interest because it describes how the ensemble recovers from significant perturbations, e.g., forced temporary switching off aimed at utilizing the flexibility of the ensemble to provide "demand response" services to change consumption temporarily to balance a larger power grid. We discuss how the statistical analysis can guide further development of the emerging demand response technology.
Ensemble of Thermostatically Controlled Loads: Statistical Physics Approach
Chertkov, Michael; Chernyak, Vladimir
2017-01-17
Thermostatically Controlled Loads (TCL), e.g. air-conditioners and heaters, are by far the most wide-spread consumers of electricity. Normally the devices are calibrated to provide the so-called bang-bang control of temperature - changing from on to off , and vice versa, depending on temperature. Aggregation of a large group of similar devices into a statistical ensemble is considered, where the devices operate following the same dynamics subject to stochastic perturbations and randomized, Poisson on/off switching policy. We analyze, using theoretical and computational tools of statistical physics, how the ensemble relaxes to a stationary distribution and establish relation between the re- laxationmore » and statistics of the probability flux, associated with devices' cycling in the mixed (discrete, switch on/off , and continuous, temperature) phase space. This allowed us to derive and analyze spec- trum of the non-equilibrium (detailed balance broken) statistical system. and uncover how switching policy affects oscillatory trend and speed of the relaxation. Relaxation of the ensemble is of a practical interest because it describes how the ensemble recovers from significant perturbations, e.g. forceful temporary switching o aimed at utilizing flexibility of the ensemble in providing "demand response" services relieving consumption temporarily to balance larger power grid. We discuss how the statistical analysis can guide further development of the emerging demand response technology.« less
Ensemble of Thermostatically Controlled Loads: Statistical Physics Approach
DOE Office of Scientific and Technical Information (OSTI.GOV)
Chertkov, Michael; Chernyak, Vladimir
Thermostatically Controlled Loads (TCL), e.g. air-conditioners and heaters, are by far the most wide-spread consumers of electricity. Normally the devices are calibrated to provide the so-called bang-bang control of temperature - changing from on to off , and vice versa, depending on temperature. Aggregation of a large group of similar devices into a statistical ensemble is considered, where the devices operate following the same dynamics subject to stochastic perturbations and randomized, Poisson on/off switching policy. We analyze, using theoretical and computational tools of statistical physics, how the ensemble relaxes to a stationary distribution and establish relation between the re- laxationmore » and statistics of the probability flux, associated with devices' cycling in the mixed (discrete, switch on/off , and continuous, temperature) phase space. This allowed us to derive and analyze spec- trum of the non-equilibrium (detailed balance broken) statistical system. and uncover how switching policy affects oscillatory trend and speed of the relaxation. Relaxation of the ensemble is of a practical interest because it describes how the ensemble recovers from significant perturbations, e.g. forceful temporary switching o aimed at utilizing flexibility of the ensemble in providing "demand response" services relieving consumption temporarily to balance larger power grid. We discuss how the statistical analysis can guide further development of the emerging demand response technology.« less
NASA Astrophysics Data System (ADS)
Rowley, C. D.; Hogan, P. J.; Martin, P.; Thoppil, P.; Wei, M.
2017-12-01
An extended range ensemble forecast system is being developed in the US Navy Earth System Prediction Capability (ESPC), and a global ocean ensemble generation capability to represent uncertainty in the ocean initial conditions has been developed. At extended forecast times, the uncertainty due to the model error overtakes the initial condition as the primary source of forecast uncertainty. Recently, stochastic parameterization or stochastic forcing techniques have been applied to represent the model error in research and operational atmospheric, ocean, and coupled ensemble forecasts. A simple stochastic forcing technique has been developed for application to US Navy high resolution regional and global ocean models, for use in ocean-only and coupled atmosphere-ocean-ice-wave ensemble forecast systems. Perturbation forcing is added to the tendency equations for state variables, with the forcing defined by random 3- or 4-dimensional fields with horizontal, vertical, and temporal correlations specified to characterize different possible kinds of error. Here, we demonstrate the stochastic forcing in regional and global ensemble forecasts with varying perturbation amplitudes and length and time scales, and assess the change in ensemble skill measured by a range of deterministic and probabilistic metrics.
NASA Astrophysics Data System (ADS)
Ghirri, Alberto; Bonizzoni, Claudio; Troiani, Filippo; Affronte, Marco
The problem of coupling remote ensembles of two-level systems through cavity photons is revisited by using molecular spin centers and a high critical temperature superconducting coplanar resonator. By using PyBTM organic radicals, we achieved the strong coupling regime with values of the cooperativity reaching 4300 at 2 K. We show that up to three distinct spin ensembles are simultaneously coupled through the resonator mode. The ensembles are made physically distinguishable by chemically varying the g-factor and by exploiting the inhomogeneities of the applied magnetic field. The coherent mixing of the spin and field modes is demonstrated by the observed multiple anticrossing, along with the simulations performed within the input-output formalism, and quantified by suitable entropic measures.
NASA Astrophysics Data System (ADS)
Saleh, F.; Ramaswamy, V.; Georgas, N.; Blumberg, A. F.; Wang, Y.
2016-12-01
Advances in computational resources and modeling techniques are opening the path to effectively integrate existing complex models. In the context of flood prediction, recent extreme events have demonstrated the importance of integrating components of the hydrosystem to better represent the interactions amongst different physical processes and phenomena. As such, there is a pressing need to develop holistic and cross-disciplinary modeling frameworks that effectively integrate existing models and better represent the operative dynamics. This work presents a novel Hydrologic-Hydraulic-Hydrodynamic Ensemble (H3E) flood prediction framework that operationally integrates existing predictive models representing coastal (New York Harbor Observing and Prediction System, NYHOPS), hydrologic (US Army Corps of Engineers Hydrologic Modeling System, HEC-HMS) and hydraulic (2-dimensional River Analysis System, HEC-RAS) components. The state-of-the-art framework is forced with 125 ensemble meteorological inputs from numerical weather prediction models including the Global Ensemble Forecast System, the European Centre for Medium-Range Weather Forecasts (ECMWF), the Canadian Meteorological Centre (CMC), the Short Range Ensemble Forecast (SREF) and the North American Mesoscale Forecast System (NAM). The framework produces, within a 96-hour forecast horizon, on-the-fly Google Earth flood maps that provide critical information for decision makers and emergency preparedness managers. The utility of the framework was demonstrated by retrospectively forecasting an extreme flood event, hurricane Sandy in the Passaic and Hackensack watersheds (New Jersey, USA). Hurricane Sandy caused significant damage to a number of critical facilities in this area including the New Jersey Transit's main storage and maintenance facility. The results of this work demonstrate that ensemble based frameworks provide improved flood predictions and useful information about associated uncertainties, thus improving the assessment of risks as when compared to a deterministic forecast. The work offers perspectives for short-term flood forecasts, flood mitigation strategies and best management practices for climate change scenarios.
Hong-Ou-Mandel Interference between Two Deterministic Collective Excitations in an Atomic Ensemble
NASA Astrophysics Data System (ADS)
Li, Jun; Zhou, Ming-Ti; Jing, Bo; Wang, Xu-Jie; Yang, Sheng-Jun; Jiang, Xiao; Mølmer, Klaus; Bao, Xiao-Hui; Pan, Jian-Wei
2016-10-01
We demonstrate deterministic generation of two distinct collective excitations in one atomic ensemble, and we realize the Hong-Ou-Mandel interference between them. Using Rydberg blockade we create single collective excitations in two different Zeeman levels, and we use stimulated Raman transitions to perform a beam-splitter operation between the excited atomic modes. By converting the atomic excitations into photons, the two-excitation interference is measured by photon coincidence detection with a visibility of 0.89(6). The Hong-Ou-Mandel interference witnesses an entangled NOON state of the collective atomic excitations, and we demonstrate its two times enhanced sensitivity to a magnetic field compared with a single excitation. Our work implements a minimal instance of boson sampling and paves the way for further multimode and multiexcitation studies with collective excitations of atomic ensembles.
High Throughput Biological Analysis Using Multi-bit Magnetic Digital Planar Tags
NASA Astrophysics Data System (ADS)
Hong, B.; Jeong, J.-R.; Llandro, J.; Hayward, T. J.; Ionescu, A.; Trypiniotis, T.; Mitrelias, T.; Kopper, K. P.; Steinmuller, S. J.; Bland, J. A. C.
2008-06-01
We report a new magnetic labelling technology for high-throughput biomolecular identification and DNA sequencing. Planar multi-bit magnetic tags have been designed and fabricated, which comprise a magnetic barcode formed by an ensemble of micron-sized thin film Ni80Fe20 bars encapsulated in SU8. We show that by using a globally applied magnetic field and magneto-optical Kerr microscopy the magnetic elements in the multi-bit magnetic tags can be addressed individually and encoded/decoded remotely. The critical steps needed to show the feasibility of this technology are demonstrated, including fabrication, flow transport, remote writing and reading, and successful functionalization of the tags as verified by fluorescence detection. This approach is ideal for encoding information on tags in microfluidic flow or suspension, for such applications as labelling of chemical precursors during drug synthesis and combinatorial library-based high-throughput multiplexed bioassays.
NWS Operational Requirements for Ensemble-Based Hydrologic Forecasts
NASA Astrophysics Data System (ADS)
Hartman, R. K.
2008-12-01
Ensemble-based hydrologic forecasts have been developed and issued by National Weather Service (NWS) staff at River Forecast Centers (RFCs) for many years. Used principally for long-range water supply forecasts, only the uncertainty associated with weather and climate have been traditionally considered. As technology and societal expectations of resource managers increase, the use and desire for risk-based decision support tools has also increased. These tools require forecast information that includes reliable uncertainty estimates across all time and space domains. The development of reliable uncertainty estimates associated with hydrologic forecasts is being actively pursued within the United States and internationally. This presentation will describe the challenges, components, and requirements for operational hydrologic ensemble-based forecasts from the perspective of a NOAA/NWS River Forecast Center.
Simultaneous Multiparameter Cellular Energy Metabolism Profiling of Small Populations of Cells.
Kelbauskas, Laimonas; Ashili, Shashaanka P; Lee, Kristen B; Zhu, Haixin; Tian, Yanqing; Meldrum, Deirdre R
2018-03-12
Functional and genomic heterogeneity of individual cells are central players in a broad spectrum of normal and disease states. Our knowledge about the role of cellular heterogeneity in tissue and organism function remains limited due to analytical challenges one encounters when performing single cell studies in the context of cell-cell interactions. Information based on bulk samples represents ensemble averages over populations of cells, while data generated from isolated single cells do not account for intercellular interactions. We describe a new technology and demonstrate two important advantages over existing technologies: first, it enables multiparameter energy metabolism profiling of small cell populations (<100 cells)-a sample size that is at least an order of magnitude smaller than other, commercially available technologies; second, it can perform simultaneous real-time measurements of oxygen consumption rate (OCR), extracellular acidification rate (ECAR), and mitochondrial membrane potential (MMP)-a capability not offered by any other commercially available technology. Our results revealed substantial diversity in response kinetics of the three analytes in dysplastic human epithelial esophageal cells and suggest the existence of varying cellular energy metabolism profiles and their kinetics among small populations of cells. The technology represents a powerful analytical tool for multiparameter studies of cellular function.
Amozegar, M; Khorasani, K
2016-04-01
In this paper, a new approach for Fault Detection and Isolation (FDI) of gas turbine engines is proposed by developing an ensemble of dynamic neural network identifiers. For health monitoring of the gas turbine engine, its dynamics is first identified by constructing three separate or individual dynamic neural network architectures. Specifically, a dynamic multi-layer perceptron (MLP), a dynamic radial-basis function (RBF) neural network, and a dynamic support vector machine (SVM) are trained to individually identify and represent the gas turbine engine dynamics. Next, three ensemble-based techniques are developed to represent the gas turbine engine dynamics, namely, two heterogeneous ensemble models and one homogeneous ensemble model. It is first shown that all ensemble approaches do significantly improve the overall performance and accuracy of the developed system identification scheme when compared to each of the stand-alone solutions. The best selected stand-alone model (i.e., the dynamic RBF network) and the best selected ensemble architecture (i.e., the heterogeneous ensemble) in terms of their performances in achieving an accurate system identification are then selected for solving the FDI task. The required residual signals are generated by using both a single model-based solution and an ensemble-based solution under various gas turbine engine health conditions. Our extensive simulation studies demonstrate that the fault detection and isolation task achieved by using the residuals that are obtained from the dynamic ensemble scheme results in a significantly more accurate and reliable performance as illustrated through detailed quantitative confusion matrix analysis and comparative studies. Copyright © 2016 Elsevier Ltd. All rights reserved.
Selecting a climate model subset to optimise key ensemble properties
NASA Astrophysics Data System (ADS)
Herger, Nadja; Abramowitz, Gab; Knutti, Reto; Angélil, Oliver; Lehmann, Karsten; Sanderson, Benjamin M.
2018-02-01
End users studying impacts and risks caused by human-induced climate change are often presented with large multi-model ensembles of climate projections whose composition and size are arbitrarily determined. An efficient and versatile method that finds a subset which maintains certain key properties from the full ensemble is needed, but very little work has been done in this area. Therefore, users typically make their own somewhat subjective subset choices and commonly use the equally weighted model mean as a best estimate. However, different climate model simulations cannot necessarily be regarded as independent estimates due to the presence of duplicated code and shared development history. Here, we present an efficient and flexible tool that makes better use of the ensemble as a whole by finding a subset with improved mean performance compared to the multi-model mean while at the same time maintaining the spread and addressing the problem of model interdependence. Out-of-sample skill and reliability are demonstrated using model-as-truth experiments. This approach is illustrated with one set of optimisation criteria but we also highlight the flexibility of cost functions, depending on the focus of different users. The technique is useful for a range of applications that, for example, minimise present-day bias to obtain an accurate ensemble mean, reduce dependence in ensemble spread, maximise future spread, ensure good performance of individual models in an ensemble, reduce the ensemble size while maintaining important ensemble characteristics, or optimise several of these at the same time. As in any calibration exercise, the final ensemble is sensitive to the metric, observational product, and pre-processing steps used.
Curve Boxplot: Generalization of Boxplot for Ensembles of Curves.
Mirzargar, Mahsa; Whitaker, Ross T; Kirby, Robert M
2014-12-01
In simulation science, computational scientists often study the behavior of their simulations by repeated solutions with variations in parameters and/or boundary values or initial conditions. Through such simulation ensembles, one can try to understand or quantify the variability or uncertainty in a solution as a function of the various inputs or model assumptions. In response to a growing interest in simulation ensembles, the visualization community has developed a suite of methods for allowing users to observe and understand the properties of these ensembles in an efficient and effective manner. An important aspect of visualizing simulations is the analysis of derived features, often represented as points, surfaces, or curves. In this paper, we present a novel, nonparametric method for summarizing ensembles of 2D and 3D curves. We propose an extension of a method from descriptive statistics, data depth, to curves. We also demonstrate a set of rendering and visualization strategies for showing rank statistics of an ensemble of curves, which is a generalization of traditional whisker plots or boxplots to multidimensional curves. Results are presented for applications in neuroimaging, hurricane forecasting and fluid dynamics.
NASA Astrophysics Data System (ADS)
Landsgesell, Jonas; Holm, Christian; Smiatek, Jens
2017-03-01
The reaction ensemble and the constant pH method are well-known chemical equilibrium approaches to simulate protonation and deprotonation reactions in classical molecular dynamics and Monte Carlo simulations. In this article, we demonstrate the similarity between both methods under certain conditions. We perform molecular dynamics simulations of a weak polyelectrolyte in order to compare the titration curves obtained by both approaches. Our findings reveal a good agreement between the methods when the reaction ensemble is used to sweep the reaction constant. Pronounced differences between the reaction ensemble and the constant pH method can be observed for stronger acids and bases in terms of adaptive pH values. These deviations are due to the presence of explicit protons in the reaction ensemble method which induce a screening of electrostatic interactions between the charged titrable groups of the polyelectrolyte. The outcomes of our simulation hint to a better applicability of the reaction ensemble method for systems in confined geometries and titrable groups in polyelectrolytes with different pKa values.
Ensemble perception of color in autistic adults.
Maule, John; Stanworth, Kirstie; Pellicano, Elizabeth; Franklin, Anna
2017-05-01
Dominant accounts of visual processing in autism posit that autistic individuals have an enhanced access to details of scenes [e.g., weak central coherence] which is reflected in a general bias toward local processing. Furthermore, the attenuated priors account of autism predicts that the updating and use of summary representations is reduced in autism. Ensemble perception describes the extraction of global summary statistics of a visual feature from a heterogeneous set (e.g., of faces, sizes, colors), often in the absence of local item representation. The present study investigated ensemble perception in autistic adults using a rapidly presented (500 msec) ensemble of four, eight, or sixteen elements representing four different colors. We predicted that autistic individuals would be less accurate when averaging the ensembles, but more accurate in recognizing individual ensemble colors. The results were consistent with the predictions. Averaging was impaired in autism, but only when ensembles contained four elements. Ensembles of eight or sixteen elements were averaged equally accurately across groups. The autistic group also showed a corresponding advantage in rejecting colors that were not originally seen in the ensemble. The results demonstrate the local processing bias in autism, but also suggest that the global perceptual averaging mechanism may be compromised under some conditions. The theoretical implications of the findings and future avenues for research on summary statistics in autism are discussed. Autism Res 2017, 10: 839-851. © 2016 International Society for Autism Research, Wiley Periodicals, Inc. © 2016 International Society for Autism Research, Wiley Periodicals, Inc.
Ensemble perception of color in autistic adults
Stanworth, Kirstie; Pellicano, Elizabeth; Franklin, Anna
2016-01-01
Dominant accounts of visual processing in autism posit that autistic individuals have an enhanced access to details of scenes [e.g., weak central coherence] which is reflected in a general bias toward local processing. Furthermore, the attenuated priors account of autism predicts that the updating and use of summary representations is reduced in autism. Ensemble perception describes the extraction of global summary statistics of a visual feature from a heterogeneous set (e.g., of faces, sizes, colors), often in the absence of local item representation. The present study investigated ensemble perception in autistic adults using a rapidly presented (500 msec) ensemble of four, eight, or sixteen elements representing four different colors. We predicted that autistic individuals would be less accurate when averaging the ensembles, but more accurate in recognizing individual ensemble colors. The results were consistent with the predictions. Averaging was impaired in autism, but only when ensembles contained four elements. Ensembles of eight or sixteen elements were averaged equally accurately across groups. The autistic group also showed a corresponding advantage in rejecting colors that were not originally seen in the ensemble. The results demonstrate the local processing bias in autism, but also suggest that the global perceptual averaging mechanism may be compromised under some conditions. The theoretical implications of the findings and future avenues for research on summary statistics in autism are discussed. Autism Res 2017, 10: 839–851. © 2016 The Authors Autism Research published by Wiley Periodicals, Inc. on behalf of International Society for Autism Research PMID:27874263
Research-to-Resource: Programming Ensemble Literature Composed by Women
ERIC Educational Resources Information Center
Baker, Vicki; Biggers, Carter
2018-01-01
Research has indicated that a gender imbalance exists in the field of music composition. This inequitable distribution is clearly demonstrated in a state-mandated repertoire list in which women represent 3% of the wind band composers and 12% of the choral composers (all voicings). Ensemble directors are in a position to affect a change by…
Wavevector multiplexed atomic quantum memory via spatially-resolved single-photon detection.
Parniak, Michał; Dąbrowski, Michał; Mazelanik, Mateusz; Leszczyński, Adam; Lipka, Michał; Wasilewski, Wojciech
2017-12-15
Parallelized quantum information processing requires tailored quantum memories to simultaneously handle multiple photons. The spatial degree of freedom is a promising candidate to facilitate such photonic multiplexing. Using a single-photon resolving camera, we demonstrate a wavevector multiplexed quantum memory based on a cold atomic ensemble. Observation of nonclassical correlations between Raman scattered photons is confirmed by an average value of the second-order correlation function [Formula: see text] in 665 separated modes simultaneously. The proposed protocol utilizing the multimode memory along with the camera will facilitate generation of multi-photon states, which are a necessity in quantum-enhanced sensing technologies and as an input to photonic quantum circuits.
Ensembl Genomes: an integrative resource for genome-scale data from non-vertebrate species.
Kersey, Paul J; Staines, Daniel M; Lawson, Daniel; Kulesha, Eugene; Derwent, Paul; Humphrey, Jay C; Hughes, Daniel S T; Keenan, Stephan; Kerhornou, Arnaud; Koscielny, Gautier; Langridge, Nicholas; McDowall, Mark D; Megy, Karine; Maheswari, Uma; Nuhn, Michael; Paulini, Michael; Pedro, Helder; Toneva, Iliana; Wilson, Derek; Yates, Andrew; Birney, Ewan
2012-01-01
Ensembl Genomes (http://www.ensemblgenomes.org) is an integrative resource for genome-scale data from non-vertebrate species. The project exploits and extends technology (for genome annotation, analysis and dissemination) developed in the context of the (vertebrate-focused) Ensembl project and provides a complementary set of resources for non-vertebrate species through a consistent set of programmatic and interactive interfaces. These provide access to data including reference sequence, gene models, transcriptional data, polymorphisms and comparative analysis. Since its launch in 2009, Ensembl Genomes has undergone rapid expansion, with the goal of providing coverage of all major experimental organisms, and additionally including taxonomic reference points to provide the evolutionary context in which genes can be understood. Against the backdrop of a continuing increase in genome sequencing activities in all parts of the tree of life, we seek to work, wherever possible, with the communities actively generating and using data, and are participants in a growing range of collaborations involved in the annotation and analysis of genomes.
Ensemble: a web-based system for psychology survey and experiment management.
Tomic, Stefan T; Janata, Petr
2007-08-01
We provide a description of Ensemble, a suite of Web-integrated modules for managing and analyzing data associated with psychology experiments in a small research lab. The system delivers interfaces via a Web browser for creating and presenting simple surveys without the need to author Web pages and with little or no programming effort. The surveys may be extended by selecting and presenting auditory and/or visual stimuli with MATLAB and Flash to enable a wide range of psychophysical and cognitive experiments which do not require the recording of precise reaction times. Additionally, one is provided with the ability to administer and present experiments remotely. The software technologies employed by the various modules of Ensemble are MySQL, PHP, MATLAB, and Flash. The code for Ensemble is open source and available to the public, so that its functions can be readily extended by users. We describe the architecture of the system, the functionality of each module, and provide basic examples of the interfaces.
NASA Technical Reports Server (NTRS)
Oliva-Buisson, Yvette J. (Compiler)
2014-01-01
The overall objective for this project is to evaluate two candidate alternatives for the existing Propellant Handler's Ensemble (PHE) escape ventilator. The new candidate ventilators use newer technology with similar quantities of air at approximately half the weight of the current ventilator. Ventilators are typically used to ingress/egress a hazardous work area when hard line air is provided at the work area but the hose is not long enough to get the operator to and from the staging area to the work area. The intent of this test is to verify that the new ventilators perform as well as or better than the current ventilators in maintaining proper oxygen (O2) and carbon dioxide (CO2) levels in the PHE during a typical use for the rated time period (10 minutes). We will evaluate two new units comparing them to the existing unit. Subjects will wear the Category I version of the Propellant Handler's Ensemble with the rear suit pouch snapped.
Gavrishchaka, Valeriy; Senyukova, Olga; Davis, Kristina
2015-01-01
Previously, we have proposed to use complementary complexity measures discovered by boosting-like ensemble learning for the enhancement of quantitative indicators dealing with necessarily short physiological time series. We have confirmed robustness of such multi-complexity measures for heart rate variability analysis with the emphasis on detection of emerging and intermittent cardiac abnormalities. Recently, we presented preliminary results suggesting that such ensemble-based approach could be also effective in discovering universal meta-indicators for early detection and convenient monitoring of neurological abnormalities using gait time series. Here, we argue and demonstrate that these multi-complexity ensemble measures for gait time series analysis could have significantly wider application scope ranging from diagnostics and early detection of physiological regime change to gait-based biometrics applications.
Enhanced Sampling in the Well-Tempered Ensemble
NASA Astrophysics Data System (ADS)
Bonomi, M.; Parrinello, M.
2010-05-01
We introduce the well-tempered ensemble (WTE) which is the biased ensemble sampled by well-tempered metadynamics when the energy is used as collective variable. WTE can be designed so as to have approximately the same average energy as the canonical ensemble but much larger fluctuations. These two properties lead to an extremely fast exploration of phase space. An even greater efficiency is obtained when WTE is combined with parallel tempering. Unbiased Boltzmann averages are computed on the fly by a recently developed reweighting method [M. Bonomi , J. Comput. Chem. 30, 1615 (2009)JCCHDD0192-865110.1002/jcc.21305]. We apply WTE and its parallel tempering variant to the 2d Ising model and to a Gō model of HIV protease, demonstrating in these two representative cases that convergence is accelerated by orders of magnitude.
Enhanced sampling in the well-tempered ensemble.
Bonomi, M; Parrinello, M
2010-05-14
We introduce the well-tempered ensemble (WTE) which is the biased ensemble sampled by well-tempered metadynamics when the energy is used as collective variable. WTE can be designed so as to have approximately the same average energy as the canonical ensemble but much larger fluctuations. These two properties lead to an extremely fast exploration of phase space. An even greater efficiency is obtained when WTE is combined with parallel tempering. Unbiased Boltzmann averages are computed on the fly by a recently developed reweighting method [M. Bonomi, J. Comput. Chem. 30, 1615 (2009)]. We apply WTE and its parallel tempering variant to the 2d Ising model and to a Gō model of HIV protease, demonstrating in these two representative cases that convergence is accelerated by orders of magnitude.
Improvement in T2* via Cancellation of Spin Bath Induced Dephasing in Solid-State Spins
NASA Astrophysics Data System (ADS)
Bauch, Erik; Hart, Connor; Schloss, Jennifer; Turner, Matthew; Barry, John; Walsworth, Ronald L.
2017-04-01
In measurements using ensembles of nitrogen vacancy (NV) centers in diamond, the magnetic field sensitivity can be improved by increasing the NV spin dephasing time, T2*. For NV ensembles, T2* is limited by dephasing arising from variations in the local environment sensed by individual NVs, such as applied magnetic fields, noise induced by other nearby spins, and strain. Here, we describe a systematic study of parameters influencing the NV ensemble T2*, and efforts to mitigate sources of inhomogeneity with demonstrated T2* improvements exceeding one order of magnitude.
Ferguson, Kate R; Beavan, Sarah E; Longdell, Jevon J; Sellars, Matthew J
2016-07-08
Here, we demonstrate generating and storing entanglement in a solid-state spin-wave quantum memory with on-demand readout using the process of rephased amplified spontaneous emission (RASE). Amplified spontaneous emission (ASE), resulting from an inverted ensemble of Pr^{3+} ions doped into a Y_{2}SiO_{5} crystal, generates entanglement between collective states of the praseodymium ensemble and the output light. The ensemble is then rephased using a four-level photon echo technique. Entanglement between the ASE and its echo is confirmed and the inseparability violation preserved when the RASE is stored as a spin wave for up to 5 μs. RASE is shown to be temporally multimode with almost perfect distinguishability between two temporal modes demonstrated. These results pave the way for the use of multimode solid-state quantum memories in scalable quantum networks.
NASA Astrophysics Data System (ADS)
Wood, Andy; Clark, Elizabeth; Mendoza, Pablo; Nijssen, Bart; Newman, Andy; Clark, Martyn; Nowak, Kenneth; Arnold, Jeffrey
2017-04-01
Many if not most national operational streamflow prediction systems rely on a forecaster-in-the-loop approach that require the hands-on-effort of an experienced human forecaster. This approach evolved from the need to correct for long-standing deficiencies in the models and datasets used in forecasting, and the practice often leads to skillful flow predictions despite the use of relatively simple, conceptual models. Yet the 'in-the-loop' forecast process is not reproducible, which limits opportunities to assess and incorporate new techniques systematically, and the effort required to make forecasts in this way is an obstacle to expanding forecast services - e.g., though adding new forecast locations or more frequent forecast updates, running more complex models, or producing forecast and hindcasts that can support verification. In the last decade, the hydrologic forecasting community has begun develop more centralized, 'over-the-loop' systems. The quality of these new forecast products will depend on their ability to leverage research in areas including earth system modeling, parameter estimation, data assimilation, statistical post-processing, weather and climate prediction, verification, and uncertainty estimation through the use of ensembles. Currently, many national operational streamflow forecasting and water management communities have little experience with the strengths and weaknesses of over-the-loop approaches, even as such systems are beginning to be deployed operationally in centers such as ECMWF. There is thus a need both to evaluate these forecasting advances and to demonstrate their potential in a public arena, raising awareness in forecast user communities and development programs alike. To address this need, the US National Center for Atmospheric Research is collaborating with the University of Washington, the Bureau of Reclamation and the US Army Corps of Engineers, using the NCAR 'System for Hydromet Analysis Research and Prediction Applications' (SHARP) to implement, assess and demonstrate real-time over-the-loop ensemble flow forecasts in a range of US watersheds. The system relies on fully ensemble techniques, including: an 100-member ensemble of meteorological model forcings and an ensemble particle filter data assimilation for initializing watershed states; analog/regression-based downscaling of ensemble weather forecasts from GEFS; and statistical post-processing of ensemble forecast outputs, all of which run in real-time within a workflow managed by ECWMF's ecFlow libraries over large US regional domains. We describe SHARP and present early hindcast and verification results for short to seasonal range streamflow forecasts in a number of US case study watersheds.
Ruffier, Magali; Kähäri, Andreas; Komorowska, Monika; Keenan, Stephen; Laird, Matthew; Longden, Ian; Proctor, Glenn; Searle, Steve; Staines, Daniel; Taylor, Kieron; Vullo, Alessandro; Yates, Andrew; Zerbino, Daniel; Flicek, Paul
2017-01-01
The Ensembl software resources are a stable infrastructure to store, access and manipulate genome assemblies and their functional annotations. The Ensembl 'Core' database and Application Programming Interface (API) was our first major piece of software infrastructure and remains at the centre of all of our genome resources. Since its initial design more than fifteen years ago, the number of publicly available genomic, transcriptomic and proteomic datasets has grown enormously, accelerated by continuous advances in DNA-sequencing technology. Initially intended to provide annotation for the reference human genome, we have extended our framework to support the genomes of all species as well as richer assembly models. Cross-referenced links to other informatics resources facilitate searching our database with a variety of popular identifiers such as UniProt and RefSeq. Our comprehensive and robust framework storing a large diversity of genome annotations in one location serves as a platform for other groups to generate and maintain their own tailored annotation. We welcome reuse and contributions: our databases and APIs are publicly available, all of our source code is released with a permissive Apache v2.0 licence at http://github.com/Ensembl and we have an active developer mailing list ( http://www.ensembl.org/info/about/contact/index.html ). http://www.ensembl.org. © The Author(s) 2017. Published by Oxford University Press.
Interfacing broadband photonic qubits to on-chip cavity-protected rare-earth ensembles
Zhong, Tian; Kindem, Jonathan M.; Rochman, Jake; Faraon, Andrei
2017-01-01
Ensembles of solid-state optical emitters enable broadband quantum storage and transduction of photonic qubits, with applications in high-rate quantum networks for secure communications and interconnecting future quantum computers. To transfer quantum states using ensembles, rephasing techniques are used to mitigate fast decoherence resulting from inhomogeneous broadening, but these techniques generally limit the bandwidth, efficiency and active times of the quantum interface. Here, we use a dense ensemble of neodymium rare-earth ions strongly coupled to a nanophotonic resonator to demonstrate a significant cavity protection effect at the single-photon level—a technique to suppress ensemble decoherence due to inhomogeneous broadening. The protected Rabi oscillations between the cavity field and the atomic super-radiant state enable ultra-fast transfer of photonic frequency qubits to the ions (∼50 GHz bandwidth) followed by retrieval with 98.7% fidelity. With the prospect of coupling to other long-lived rare-earth spin states, this technique opens the possibilities for broadband, always-ready quantum memories and fast optical-to-microwave transducers. PMID:28090078
Building Diversified Multiple Trees for classification in high dimensional noisy biomedical data.
Li, Jiuyong; Liu, Lin; Liu, Jixue; Green, Ryan
2017-12-01
It is common that a trained classification model is applied to the operating data that is deviated from the training data because of noise. This paper will test an ensemble method, Diversified Multiple Tree (DMT), on its capability for classifying instances in a new laboratory using the classifier built on the instances of another laboratory. DMT is tested on three real world biomedical data sets from different laboratories in comparison with four benchmark ensemble methods, AdaBoost, Bagging, Random Forests, and Random Trees. Experiments have also been conducted on studying the limitation of DMT and its possible variations. Experimental results show that DMT is significantly more accurate than other benchmark ensemble classifiers on classifying new instances of a different laboratory from the laboratory where instances are used to build the classifier. This paper demonstrates that an ensemble classifier, DMT, is more robust in classifying noisy data than other widely used ensemble methods. DMT works on the data set that supports multiple simple trees.
Interfacing broadband photonic qubits to on-chip cavity-protected rare-earth ensembles
NASA Astrophysics Data System (ADS)
Zhong, Tian; Kindem, Jonathan M.; Rochman, Jake; Faraon, Andrei
2017-01-01
Ensembles of solid-state optical emitters enable broadband quantum storage and transduction of photonic qubits, with applications in high-rate quantum networks for secure communications and interconnecting future quantum computers. To transfer quantum states using ensembles, rephasing techniques are used to mitigate fast decoherence resulting from inhomogeneous broadening, but these techniques generally limit the bandwidth, efficiency and active times of the quantum interface. Here, we use a dense ensemble of neodymium rare-earth ions strongly coupled to a nanophotonic resonator to demonstrate a significant cavity protection effect at the single-photon level--a technique to suppress ensemble decoherence due to inhomogeneous broadening. The protected Rabi oscillations between the cavity field and the atomic super-radiant state enable ultra-fast transfer of photonic frequency qubits to the ions (~50 GHz bandwidth) followed by retrieval with 98.7% fidelity. With the prospect of coupling to other long-lived rare-earth spin states, this technique opens the possibilities for broadband, always-ready quantum memories and fast optical-to-microwave transducers.
NASA Astrophysics Data System (ADS)
Khade, Vikram; Kurian, Jaison; Chang, Ping; Szunyogh, Istvan; Thyng, Kristen; Montuoro, Raffaele
2017-05-01
This paper demonstrates the potential of ocean ensemble forecasting in the Gulf of Mexico (GoM). The Bred Vector (BV) technique with one week rescaling frequency is implemented on a 9 km resolution version of the Regional Ocean Modelling System (ROMS). Numerical experiments are carried out by using the HYCOM analysis products to define the initial conditions and the lateral boundary conditions. The growth rates of the forecast uncertainty are estimated to be about 10% of initial amplitude per week. By carrying out ensemble forecast experiments with and without perturbed surface forcing, it is demonstrated that in the coastal regions accounting for uncertainties in the atmospheric forcing is more important than accounting for uncertainties in the ocean initial conditions. In the Loop Current region, the initial condition uncertainties, are the dominant source of the forecast uncertainty. The root-mean-square error of the Lagrangian track forecasts at the 15-day forecast lead time can be reduced by about 10 - 50 km using the ensemble mean Eulerian forecast of the oceanic flow for the computation of the tracks, instead of the single-initial-condition Eulerian forecast.
NASA Astrophysics Data System (ADS)
Yan, Yajing; Barth, Alexander; Beckers, Jean-Marie; Candille, Guillem; Brankart, Jean-Michel; Brasseur, Pierre
2015-04-01
Sea surface height, sea surface temperature and temperature profiles at depth collected between January and December 2005 are assimilated into a realistic eddy permitting primitive equation model of the North Atlantic Ocean using the Ensemble Kalman Filter. 60 ensemble members are generated by adding realistic noise to the forcing parameters related to the temperature. The ensemble is diagnosed and validated by comparison between the ensemble spread and the model/observation difference, as well as by rank histogram before the assimilation experiments. Incremental analysis update scheme is applied in order to reduce spurious oscillations due to the model state correction. The results of the assimilation are assessed according to both deterministic and probabilistic metrics with observations used in the assimilation experiments and independent observations, which goes further than most previous studies and constitutes one of the original points of this paper. Regarding the deterministic validation, the ensemble means, together with the ensemble spreads are compared to the observations in order to diagnose the ensemble distribution properties in a deterministic way. Regarding the probabilistic validation, the continuous ranked probability score (CRPS) is used to evaluate the ensemble forecast system according to reliability and resolution. The reliability is further decomposed into bias and dispersion by the reduced centred random variable (RCRV) score in order to investigate the reliability properties of the ensemble forecast system. The improvement of the assimilation is demonstrated using these validation metrics. Finally, the deterministic validation and the probabilistic validation are analysed jointly. The consistency and complementarity between both validations are highlighted. High reliable situations, in which the RMS error and the CRPS give the same information, are identified for the first time in this paper.
A Simple Approach to Account for Climate Model Interdependence in Multi-Model Ensembles
NASA Astrophysics Data System (ADS)
Herger, N.; Abramowitz, G.; Angelil, O. M.; Knutti, R.; Sanderson, B.
2016-12-01
Multi-model ensembles are an indispensable tool for future climate projection and its uncertainty quantification. Ensembles containing multiple climate models generally have increased skill, consistency and reliability. Due to the lack of agreed-on alternatives, most scientists use the equally-weighted multi-model mean as they subscribe to model democracy ("one model, one vote").Different research groups are known to share sections of code, parameterizations in their model, literature, or even whole model components. Therefore, individual model runs do not represent truly independent estimates. Ignoring this dependence structure might lead to a false model consensus, wrong estimation of uncertainty and effective number of independent models.Here, we present a way to partially address this problem by selecting a subset of CMIP5 model runs so that its climatological mean minimizes the RMSE compared to a given observation product. Due to the cancelling out of errors, regional biases in the ensemble mean are reduced significantly.Using a model-as-truth experiment we demonstrate that those regional biases persist into the future and we are not fitting noise, thus providing improved observationally-constrained projections of the 21st century. The optimally selected ensemble shows significantly higher global mean surface temperature projections than the original ensemble, where all the model runs are considered. Moreover, the spread is decreased well beyond that expected from the decreased ensemble size.Several previous studies have recommended an ensemble selection approach based on performance ranking of the model runs. Here, we show that this approach can perform even worse than randomly selecting ensemble members and can thus be harmful. We suggest that accounting for interdependence in the ensemble selection process is a necessary step for robust projections for use in impact assessments, adaptation and mitigation of climate change.
NASA Astrophysics Data System (ADS)
Saleh, Firas; Ramaswamy, Venkatsundar; Georgas, Nickitas; Blumberg, Alan F.; Pullen, Julie
2016-07-01
This paper investigates the uncertainties in hourly streamflow ensemble forecasts for an extreme hydrological event using a hydrological model forced with short-range ensemble weather prediction models. A state-of-the art, automated, short-term hydrologic prediction framework was implemented using GIS and a regional scale hydrological model (HEC-HMS). The hydrologic framework was applied to the Hudson River basin ( ˜ 36 000 km2) in the United States using gridded precipitation data from the National Centers for Environmental Prediction (NCEP) North American Regional Reanalysis (NARR) and was validated against streamflow observations from the United States Geologic Survey (USGS). Finally, 21 precipitation ensemble members of the latest Global Ensemble Forecast System (GEFS/R) were forced into HEC-HMS to generate a retrospective streamflow ensemble forecast for an extreme hydrological event, Hurricane Irene. The work shows that ensemble stream discharge forecasts provide improved predictions and useful information about associated uncertainties, thus improving the assessment of risks when compared with deterministic forecasts. The uncertainties in weather inputs may result in false warnings and missed river flooding events, reducing the potential to effectively mitigate flood damage. The findings demonstrate how errors in the ensemble median streamflow forecast and time of peak, as well as the ensemble spread (uncertainty) are reduced 48 h pre-event by utilizing the ensemble framework. The methodology and implications of this work benefit efforts of short-term streamflow forecasts at regional scales, notably regarding the peak timing of an extreme hydrologic event when combined with a flood threshold exceedance diagram. Although the modeling framework was implemented on the Hudson River basin, it is flexible and applicable in other parts of the world where atmospheric reanalysis products and streamflow data are available.
Universal Linear Optics: An implementation of Boson Sampling on a Fully Reconfigurable Circuit
NASA Astrophysics Data System (ADS)
Harrold, Christopher; Carolan, Jacques; Sparrow, Chris; Russell, Nicholas J.; Silverstone, Joshua W.; Marshall, Graham D.; Thompson, Mark G.; Matthews, Jonathan C. F.; O'Brien, Jeremy L.; Laing, Anthony; Martín-López, Enrique; Shadbolt, Peter J.; Matsuda, Nobuyuki; Oguma, Manabu; Itoh, Mikitaka; Hashimoto, Toshikazu
Linear optics has paved the way for fundamental tests in quantum mechanics and has gone on to enable a broad range of quantum information processing applications for quantum technologies. We demonstrate an integrated photonics processor that is universal for linear optics. The device is a silica-on-silicon planar waveguide circuit (PLC) comprising a cascade of 15 Mach Zehnder interferometers, with 30 directional couplers and 30 tunable thermo-optic phase shifters which are electrically interfaced for the arbitrary setting of a phase. We input ensembles of up to six photons, and monitor the output with a 12-single-photon detector system. The calibrated device is capable of implementing any linear optical protocol. This enables the implementation of new quantum information processing tasks in seconds, which would have previously taken months to realise. We demonstrate 100 instances of the boson sampling problem with verification tests, and six-dimensional complex Hadamards. Also Imperial College London.
NASA Astrophysics Data System (ADS)
Gelfan, Alexander; Moreydo, Vsevolod; Motovilov, Yury; Solomatine, Dimitri P.
2018-04-01
A long-term forecasting ensemble methodology, applied to water inflows into the Cheboksary Reservoir (Russia), is presented. The methodology is based on a version of the semi-distributed hydrological model ECOMAG (ECOlogical Model for Applied Geophysics) that allows for the calculation of an ensemble of inflow hydrographs using two different sets of weather ensembles for the lead time period: observed weather data, constructed on the basis of the Ensemble Streamflow Prediction methodology (ESP-based forecast), and synthetic weather data, simulated by a multi-site weather generator (WG-based forecast). We have studied the following: (1) whether there is any advantage of the developed ensemble forecasts in comparison with the currently issued operational forecasts of water inflow into the Cheboksary Reservoir, and (2) whether there is any noticeable improvement in probabilistic forecasts when using the WG-simulated ensemble compared to the ESP-based ensemble. We have found that for a 35-year period beginning from the reservoir filling in 1982, both continuous and binary model-based ensemble forecasts (issued in the deterministic form) outperform the operational forecasts of the April-June inflow volume actually used and, additionally, provide acceptable forecasts of additional water regime characteristics besides the inflow volume. We have also demonstrated that the model performance measures (in the verification period) obtained from the WG-based probabilistic forecasts, which are based on a large number of possible weather scenarios, appeared to be more statistically reliable than the corresponding measures calculated from the ESP-based forecasts based on the observed weather scenarios.
Towards an improved ensemble precipitation forecast: A probabilistic post-processing approach
NASA Astrophysics Data System (ADS)
Khajehei, Sepideh; Moradkhani, Hamid
2017-03-01
Recently, ensemble post-processing (EPP) has become a commonly used approach for reducing the uncertainty in forcing data and hence hydrologic simulation. The procedure was introduced to build ensemble precipitation forecasts based on the statistical relationship between observations and forecasts. More specifically, the approach relies on a transfer function that is developed based on a bivariate joint distribution between the observations and the simulations in the historical period. The transfer function is used to post-process the forecast. In this study, we propose a Bayesian EPP approach based on copula functions (COP-EPP) to improve the reliability of the precipitation ensemble forecast. Evaluation of the copula-based method is carried out by comparing the performance of the generated ensemble precipitation with the outputs from an existing procedure, i.e. mixed type meta-Gaussian distribution. Monthly precipitation from Climate Forecast System Reanalysis (CFS) and gridded observation from Parameter-Elevation Relationships on Independent Slopes Model (PRISM) have been employed to generate the post-processed ensemble precipitation. Deterministic and probabilistic verification frameworks are utilized in order to evaluate the outputs from the proposed technique. Distribution of seasonal precipitation for the generated ensemble from the copula-based technique is compared to the observation and raw forecasts for three sub-basins located in the Western United States. Results show that both techniques are successful in producing reliable and unbiased ensemble forecast, however, the COP-EPP demonstrates considerable improvement in the ensemble forecast in both deterministic and probabilistic verification, in particular in characterizing the extreme events in wet seasons.
NASA Astrophysics Data System (ADS)
Greenway, D. P.; Hackett, E.
2017-12-01
Under certain atmospheric refractivity conditions, propagated electromagnetic waves (EM) can become trapped between the surface and the bottom of the atmosphere's mixed layer, which is referred to as surface duct propagation. Being able to predict the presence of these surface ducts can reap many benefits to users and developers of sensing technologies and communication systems because they significantly influence the performance of these systems. However, the ability to directly measure or model a surface ducting layer is challenging due to the high spatial resolution and large spatial coverage needed to make accurate refractivity estimates for EM propagation; thus, inverse methods have become an increasingly popular way of determining atmospheric refractivity. This study uses data from the Coupled Ocean/Atmosphere Mesoscale Prediction System developed by the Naval Research Laboratory and instrumented helicopter (helo) measurements taken during the Wallops Island Field Experiment to evaluate the use of ensemble forecasts in refractivity inversions. Helo measurements and ensemble forecasts are optimized to a parametric refractivity model, and three experiments are performed to evaluate whether incorporation of ensemble forecast data aids in more timely and accurate inverse solutions using genetic algorithms. The results suggest that using optimized ensemble members as an initial population for the genetic algorithms generally enhances the accuracy and speed of the inverse solution; however, use of the ensemble data to restrict parameter search space yields mixed results. Inaccurate results are related to parameterization of the ensemble members' refractivity profile and the subsequent extraction of the parameter ranges to limit the search space.
Quantum memory operations in a flux qubit - spin ensemble hybrid system
NASA Astrophysics Data System (ADS)
Saito, S.; Zhu, X.; Amsuss, R.; Matsuzaki, Y.; Kakuyanagi, K.; Shimo-Oka, T.; Mizuochi, N.; Nemoto, K.; Munro, W. J.; Semba, K.
2014-03-01
Superconducting quantum bits (qubits) are one of the most promising candidates for a future large-scale quantum processor. However for larger scale realizations the currently reported coherence times of these macroscopic objects (superconducting qubits) has not yet reached those of microscopic systems (electron spins, nuclear spins, etc). In this context, a superconductor-spin ensemble hybrid system has attracted considerable attention. The spin ensemble could operate as a quantum memory for superconducting qubits. We have experimentally demonstrated quantum memory operations in a superconductor-diamond hybrid system. An excited state and a superposition state prepared in the flux qubit can be transferred to, stored in and retrieved from the NV spin ensemble in diamond. From these experiments, we have found the coherence time of the spin ensemble is limited by the inhomogeneous broadening of the electron spin (4.4 MHz) and by the hyperfine coupling to nitrogen nuclear spins (2.3 MHz). In the future, spin echo techniques could eliminate these effects and elongate the coherence time. Our results are a significant first step in utilizing the spin ensemble as long-lived quantum memory for superconducting flux qubits. This work was supported by the FIRST program and NICT.
Clustering cancer gene expression data by projective clustering ensemble
Yu, Xianxue; Yu, Guoxian
2017-01-01
Gene expression data analysis has paramount implications for gene treatments, cancer diagnosis and other domains. Clustering is an important and promising tool to analyze gene expression data. Gene expression data is often characterized by a large amount of genes but with limited samples, thus various projective clustering techniques and ensemble techniques have been suggested to combat with these challenges. However, it is rather challenging to synergy these two kinds of techniques together to avoid the curse of dimensionality problem and to boost the performance of gene expression data clustering. In this paper, we employ a projective clustering ensemble (PCE) to integrate the advantages of projective clustering and ensemble clustering, and to avoid the dilemma of combining multiple projective clusterings. Our experimental results on publicly available cancer gene expression data show PCE can improve the quality of clustering gene expression data by at least 4.5% (on average) than other related techniques, including dimensionality reduction based single clustering and ensemble approaches. The empirical study demonstrates that, to further boost the performance of clustering cancer gene expression data, it is necessary and promising to synergy projective clustering with ensemble clustering. PCE can serve as an effective alternative technique for clustering gene expression data. PMID:28234920
Using ensemble of classifiers for predicting HIV protease cleavage sites in proteins.
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.
Causal network in a deafferented non-human primate brain.
Balasubramanian, Karthikeyan; Takahashi, Kazutaka; Hatsopoulos, Nicholas G
2015-01-01
De-afferented/efferented neural ensembles can undergo causal changes when interfaced to neuroprosthetic devices. These changes occur via recruitment or isolation of neurons, alterations in functional connectivity within the ensemble and/or changes in the role of neurons, i.e., excitatory/inhibitory. In this work, emergence of a causal network and changes in the dynamics are demonstrated for a deafferented brain region exposed to BMI (brain-machine interface) learning. The BMI was controlling a robot for reach-and-grasp behavior. And, the motor cortical regions used for the BMI were deafferented due to chronic amputation, and ensembles of neurons were decoded for velocity control of the multi-DOF robot. A generalized linear model-framework based Granger causality (GLM-GC) technique was used in estimating the ensemble connectivity. Model selection was based on the AIC (Akaike Information Criterion).
Inner Radiation Belt Dynamics and Climatology
NASA Astrophysics Data System (ADS)
Guild, T. B.; O'Brien, P. P.; Looper, M. D.
2012-12-01
We present preliminary results of inner belt proton data assimilation using an augmented version of the Selesnick et al. Inner Zone Model (SIZM). By varying modeled physics parameters and solar particle injection parameters to generate many ensembles of the inner belt, then optimizing the ensemble weights according to inner belt observations from SAMPEX/PET at LEO and HEO/DOS at high altitude, we obtain the best-fit state of the inner belt. We need to fully sample the range of solar proton injection sources among the ensemble members to ensure reasonable agreement between the model ensembles and observations. Once this is accomplished, we find the method is fairly robust. We will demonstrate the data assimilation by presenting an extended interval of solar proton injections and losses, illustrating how these short-term dynamics dominate long-term inner belt climatology.
Stabilizing canonical-ensemble calculations in the auxiliary-field Monte Carlo method
NASA Astrophysics Data System (ADS)
Gilbreth, C. N.; Alhassid, Y.
2015-03-01
Quantum Monte Carlo methods are powerful techniques for studying strongly interacting Fermi systems. However, implementing these methods on computers with finite-precision arithmetic requires careful attention to numerical stability. In the auxiliary-field Monte Carlo (AFMC) method, low-temperature or large-model-space calculations require numerically stabilized matrix multiplication. When adapting methods used in the grand-canonical ensemble to the canonical ensemble of fixed particle number, the numerical stabilization increases the number of required floating-point operations for computing observables by a factor of the size of the single-particle model space, and thus can greatly limit the systems that can be studied. We describe an improved method for stabilizing canonical-ensemble calculations in AFMC that exhibits better scaling, and present numerical tests that demonstrate the accuracy and improved performance of the method.
A shared neural ensemble links distinct contextual memories encoded close in time
NASA Astrophysics Data System (ADS)
Cai, Denise J.; Aharoni, Daniel; Shuman, Tristan; Shobe, Justin; Biane, Jeremy; Song, Weilin; Wei, Brandon; Veshkini, Michael; La-Vu, Mimi; Lou, Jerry; Flores, Sergio E.; Kim, Isaac; Sano, Yoshitake; Zhou, Miou; Baumgaertel, Karsten; Lavi, Ayal; Kamata, Masakazu; Tuszynski, Mark; Mayford, Mark; Golshani, Peyman; Silva, Alcino J.
2016-06-01
Recent studies suggest that a shared neural ensemble may link distinct memories encoded close in time. According to the memory allocation hypothesis, learning triggers a temporary increase in neuronal excitability that biases the representation of a subsequent memory to the neuronal ensemble encoding the first memory, such that recall of one memory increases the likelihood of recalling the other memory. Here we show in mice that the overlap between the hippocampal CA1 ensembles activated by two distinct contexts acquired within a day is higher than when they are separated by a week. Several findings indicate that this overlap of neuronal ensembles links two contextual memories. First, fear paired with one context is transferred to a neutral context when the two contexts are acquired within a day but not across a week. Second, the first memory strengthens the second memory within a day but not across a week. Older mice, known to have lower CA1 excitability, do not show the overlap between ensembles, the transfer of fear between contexts, or the strengthening of the second memory. Finally, in aged mice, increasing cellular excitability and activating a common ensemble of CA1 neurons during two distinct context exposures rescued the deficit in linking memories. Taken together, these findings demonstrate that contextual memories encoded close in time are linked by directing storage into overlapping ensembles. Alteration of these processes by ageing could affect the temporal structure of memories, thus impairing efficient recall of related information.
NASA Astrophysics Data System (ADS)
Liu, Li; Gao, Chao; Xuan, Weidong; Xu, Yue-Ping
2017-11-01
Ensemble flood forecasts by hydrological models using numerical weather prediction products as forcing data are becoming more commonly used in operational flood forecasting applications. In this study, a hydrological ensemble flood forecasting system comprised of an automatically calibrated Variable Infiltration Capacity model and quantitative precipitation forecasts from TIGGE dataset is constructed for Lanjiang Basin, Southeast China. The impacts of calibration strategies and ensemble methods on the performance of the system are then evaluated. The hydrological model is optimized by the parallel programmed ε-NSGA II multi-objective algorithm. According to the solutions by ε-NSGA II, two differently parameterized models are determined to simulate daily flows and peak flows at each of the three hydrological stations. Then a simple yet effective modular approach is proposed to combine these daily and peak flows at the same station into one composite series. Five ensemble methods and various evaluation metrics are adopted. The results show that ε-NSGA II can provide an objective determination on parameter estimation, and the parallel program permits a more efficient simulation. It is also demonstrated that the forecasts from ECMWF have more favorable skill scores than other Ensemble Prediction Systems. The multimodel ensembles have advantages over all the single model ensembles and the multimodel methods weighted on members and skill scores outperform other methods. Furthermore, the overall performance at three stations can be satisfactory up to ten days, however the hydrological errors can degrade the skill score by approximately 2 days, and the influence persists until a lead time of 10 days with a weakening trend. With respect to peak flows selected by the Peaks Over Threshold approach, the ensemble means from single models or multimodels are generally underestimated, indicating that the ensemble mean can bring overall improvement in forecasting of flows. For peak values taking flood forecasts from each individual member into account is more appropriate.
The Collision of Plausibility with Reality: Lifting the Veil of the Ethical Neutrality of Technology
ERIC Educational Resources Information Center
Borgmann, Albert
2012-01-01
Technology, thought of as the ensemble of utilities and devices and of their impact on our lives, proceeds in steps, each of which seems plausible. This kind of development also encourages the view that technology is value-neutral. It always can be used both for good and ill, and we decide how to use it. The production of food and the development…
NASA Astrophysics Data System (ADS)
Adams, T. E.
2016-12-01
Accurate and timely predictions of the lateral exent of floodwaters and water level depth in floodplain areas are critical globally. This paper demonstrates the coupling of hydrologic ensembles, derived from the use of numerical weather prediction (NWP) model forcings as input to a fully distributed hydrologic model. Resulting ensemble output from the distributed hydrologic model are used as upstream flow boundaries and lateral inflows to a 1-D hydrodynamic model. An example is presented for the Potomac River in the vicinity of Washington, DC (USA). The approach taken falls within the broader goals of the Hydrologic Ensemble Prediction EXperiment (HEPEX).
A new method for determining the optimal lagged ensemble
DelSole, T.; Tippett, M. K.; Pegion, K.
2017-01-01
Abstract We propose a general methodology for determining the lagged ensemble that minimizes the mean square forecast error. The MSE of a lagged ensemble is shown to depend only on a quantity called the cross‐lead error covariance matrix, which can be estimated from a short hindcast data set and parameterized in terms of analytic functions of time. The resulting parameterization allows the skill of forecasts to be evaluated for an arbitrary ensemble size and initialization frequency. Remarkably, the parameterization also can estimate the MSE of a burst ensemble simply by taking the limit of an infinitely small interval between initialization times. This methodology is applied to forecasts of the Madden Julian Oscillation (MJO) from version 2 of the Climate Forecast System version 2 (CFSv2). For leads greater than a week, little improvement is found in the MJO forecast skill when ensembles larger than 5 days are used or initializations greater than 4 times per day. We find that if the initialization frequency is too infrequent, important structures of the lagged error covariance matrix are lost. Lastly, we demonstrate that the forecast error at leads ≥10 days can be reduced by optimally weighting the lagged ensemble members. The weights are shown to depend only on the cross‐lead error covariance matrix. While the methodology developed here is applied to CFSv2, the technique can be easily adapted to other forecast systems. PMID:28580050
Muhlestein, Whitney E; Akagi, Dallin S; Kallos, Justiss A; Morone, Peter J; Weaver, Kyle D; Thompson, Reid C; Chambless, Lola B
2018-04-01
Objective Machine learning (ML) algorithms are powerful tools for predicting patient outcomes. This study pilots a novel approach to algorithm selection and model creation using prediction of discharge disposition following meningioma resection as a proof of concept. Materials and Methods A diversity of ML algorithms were trained on a single-institution database of meningioma patients to predict discharge disposition. Algorithms were ranked by predictive power and top performers were combined to create an ensemble model. The final ensemble was internally validated on never-before-seen data to demonstrate generalizability. The predictive power of the ensemble was compared with a logistic regression. Further analyses were performed to identify how important variables impact the ensemble. Results Our ensemble model predicted disposition significantly better than a logistic regression (area under the curve of 0.78 and 0.71, respectively, p = 0.01). Tumor size, presentation at the emergency department, body mass index, convexity location, and preoperative motor deficit most strongly influence the model, though the independent impact of individual variables is nuanced. Conclusion Using a novel ML technique, we built a guided ML ensemble model that predicts discharge destination following meningioma resection with greater predictive power than a logistic regression, and that provides greater clinical insight than a univariate analysis. These techniques can be extended to predict many other patient outcomes of interest.
Quantifying rapid changes in cardiovascular state with a moving ensemble average.
Cieslak, Matthew; Ryan, William S; Babenko, Viktoriya; Erro, Hannah; Rathbun, Zoe M; Meiring, Wendy; Kelsey, Robert M; Blascovich, Jim; Grafton, Scott T
2018-04-01
MEAP, the moving ensemble analysis pipeline, is a new open-source tool designed to perform multisubject preprocessing and analysis of cardiovascular data, including electrocardiogram (ECG), impedance cardiogram (ICG), and continuous blood pressure (BP). In addition to traditional ensemble averaging, MEAP implements a moving ensemble averaging method that allows for the continuous estimation of indices related to cardiovascular state, including cardiac output, preejection period, heart rate variability, and total peripheral resistance, among others. Here, we define the moving ensemble technique mathematically, highlighting its differences from fixed-window ensemble averaging. We describe MEAP's interface and features for signal processing, artifact correction, and cardiovascular-based fMRI analysis. We demonstrate the accuracy of MEAP's novel B point detection algorithm on a large collection of hand-labeled ICG waveforms. As a proof of concept, two subjects completed a series of four physical and cognitive tasks (cold pressor, Valsalva maneuver, video game, random dot kinetogram) on 3 separate days while ECG, ICG, and BP were recorded. Critically, the moving ensemble method reliably captures the rapid cyclical cardiovascular changes related to the baroreflex during the Valsalva maneuver and the classic cold pressor response. Cardiovascular measures were seen to vary considerably within repetitions of the same cognitive task for each individual, suggesting that a carefully designed paradigm could be used to capture fast-acting event-related changes in cardiovascular state. © 2017 Society for Psychophysiological Research.
Multi-model ensembles for assessment of flood losses and associated uncertainty
NASA Astrophysics Data System (ADS)
Figueiredo, Rui; Schröter, Kai; Weiss-Motz, Alexander; Martina, Mario L. V.; Kreibich, Heidi
2018-05-01
Flood loss modelling is a crucial part of risk assessments. However, it is subject to large uncertainty that is often neglected. Most models available in the literature are deterministic, providing only single point estimates of flood loss, and large disparities tend to exist among them. Adopting any one such model in a risk assessment context is likely to lead to inaccurate loss estimates and sub-optimal decision-making. In this paper, we propose the use of multi-model ensembles to address these issues. This approach, which has been applied successfully in other scientific fields, is based on the combination of different model outputs with the aim of improving the skill and usefulness of predictions. We first propose a model rating framework to support ensemble construction, based on a probability tree of model properties, which establishes relative degrees of belief between candidate models. Using 20 flood loss models in two test cases, we then construct numerous multi-model ensembles, based both on the rating framework and on a stochastic method, differing in terms of participating members, ensemble size and model weights. We evaluate the performance of ensemble means, as well as their probabilistic skill and reliability. Our results demonstrate that well-designed multi-model ensembles represent a pragmatic approach to consistently obtain more accurate flood loss estimates and reliable probability distributions of model uncertainty.
Case-Based Learning, Pedagogical Innovation, and Semantic Web Technologies
ERIC Educational Resources Information Center
Martinez-Garcia, A.; Morris, S.; Tscholl, M.; Tracy, F.; Carmichael, P.
2012-01-01
This paper explores the potential of Semantic Web technologies to support teaching and learning in a variety of higher education settings in which some form of case-based learning is the pedagogy of choice. It draws on the empirical work of a major three year research and development project in the United Kingdom: "Ensemble: Semantic…
ERIC Educational Resources Information Center
Edwards, Richard; Tracy, Fran; Jordan, Katy
2011-01-01
While much attention has been given to the changing spaces of education introduced by new technologies, the impact of spatial theory on the discussion of such education is less well developed. Drawing upon empirical evidence from the Ensemble research project, this article examines spatially some of the possibilities and constraints that arise in…
Improving wave forecasting by integrating ensemble modelling and machine learning
NASA Astrophysics Data System (ADS)
O'Donncha, F.; Zhang, Y.; James, S. C.
2017-12-01
Modern smart-grid networks use technologies to instantly relay information on supply and demand to support effective decision making. Integration of renewable-energy resources with these systems demands accurate forecasting of energy production (and demand) capacities. For wave-energy converters, this requires wave-condition forecasting to enable estimates of energy production. Current operational wave forecasting systems exhibit substantial errors with wave-height RMSEs of 40 to 60 cm being typical, which limits the reliability of energy-generation predictions thereby impeding integration with the distribution grid. In this study, we integrate physics-based models with statistical learning aggregation techniques that combine forecasts from multiple, independent models into a single "best-estimate" prediction of the true state. The Simulating Waves Nearshore physics-based model is used to compute wind- and currents-augmented waves in the Monterey Bay area. Ensembles are developed based on multiple simulations perturbing input data (wave characteristics supplied at the model boundaries and winds) to the model. A learning-aggregation technique uses past observations and past model forecasts to calculate a weight for each model. The aggregated forecasts are compared to observation data to quantify the performance of the model ensemble and aggregation techniques. The appropriately weighted ensemble model outperforms an individual ensemble member with regard to forecasting wave conditions.
From a structural average to the conformational ensemble of a DNA bulge
Shi, Xuesong; Beauchamp, Kyle A.; Harbury, Pehr B.; Herschlag, Daniel
2014-01-01
Direct experimental measurements of conformational ensembles are critical for understanding macromolecular function, but traditional biophysical methods do not directly report the solution ensemble of a macromolecule. Small-angle X-ray scattering interferometry has the potential to overcome this limitation by providing the instantaneous distance distribution between pairs of gold-nanocrystal probes conjugated to a macromolecule in solution. Our X-ray interferometry experiments reveal an increasing bend angle of DNA duplexes with bulges of one, three, and five adenosine residues, consistent with previous FRET measurements, and further reveal an increasingly broad conformational ensemble with increasing bulge length. The distance distributions for the AAA bulge duplex (3A-DNA) with six different Au-Au pairs provide strong evidence against a simple elastic model in which fluctuations occur about a single conformational state. Instead, the measured distance distributions suggest a 3A-DNA ensemble with multiple conformational states predominantly across a region of conformational space with bend angles between 24 and 85 degrees and characteristic bend directions and helical twists and displacements. Additional X-ray interferometry experiments revealed perturbations to the ensemble from changes in ionic conditions and the bulge sequence, effects that can be understood in terms of electrostatic and stacking contributions to the ensemble and that demonstrate the sensitivity of X-ray interferometry. Combining X-ray interferometry ensemble data with molecular dynamics simulations gave atomic-level models of representative conformational states and of the molecular interactions that may shape the ensemble, and fluorescence measurements with 2-aminopurine-substituted 3A-DNA provided initial tests of these atomistic models. More generally, X-ray interferometry will provide powerful benchmarks for testing and developing computational methods. PMID:24706812
NIMEFI: gene regulatory network inference using multiple ensemble feature importance algorithms.
Ruyssinck, Joeri; Huynh-Thu, Vân Anh; Geurts, Pierre; Dhaene, Tom; Demeester, Piet; Saeys, Yvan
2014-01-01
One of the long-standing open challenges in computational systems biology is the topology inference of gene regulatory networks from high-throughput omics data. Recently, two community-wide efforts, DREAM4 and DREAM5, have been established to benchmark network inference techniques using gene expression measurements. In these challenges the overall top performer was the GENIE3 algorithm. This method decomposes the network inference task into separate regression problems for each gene in the network in which the expression values of a particular target gene are predicted using all other genes as possible predictors. Next, using tree-based ensemble methods, an importance measure for each predictor gene is calculated with respect to the target gene and a high feature importance is considered as putative evidence of a regulatory link existing between both genes. The contribution of this work is twofold. First, we generalize the regression decomposition strategy of GENIE3 to other feature importance methods. We compare the performance of support vector regression, the elastic net, random forest regression, symbolic regression and their ensemble variants in this setting to the original GENIE3 algorithm. To create the ensemble variants, we propose a subsampling approach which allows us to cast any feature selection algorithm that produces a feature ranking into an ensemble feature importance algorithm. We demonstrate that the ensemble setting is key to the network inference task, as only ensemble variants achieve top performance. As second contribution, we explore the effect of using rankwise averaged predictions of multiple ensemble algorithms as opposed to only one. We name this approach NIMEFI (Network Inference using Multiple Ensemble Feature Importance algorithms) and show that this approach outperforms all individual methods in general, although on a specific network a single method can perform better. An implementation of NIMEFI has been made publicly available.
NASA Astrophysics Data System (ADS)
Warner, Thomas T.; Sheu, Rong-Shyang; Bowers, James F.; Sykes, R. Ian; Dodd, Gregory C.; Henn, Douglas S.
2002-05-01
Ensemble simulations made using a coupled atmospheric dynamic model and a probabilistic Lagrangian puff dispersion model were employed in a forensic analysis of the transport and dispersion of a toxic gas that may have been released near Al Muthanna, Iraq, during the Gulf War. The ensemble study had two objectives, the first of which was to determine the sensitivity of the calculated dosage fields to the choices that must be made about the configuration of the atmospheric dynamic model. In this test, various choices were used for model physics representations and for the large-scale analyses that were used to construct the model initial and boundary conditions. The second study objective was to examine the dispersion model's ability to use ensemble inputs to predict dosage probability distributions. Here, the dispersion model was used with the ensemble mean fields from the individual atmospheric dynamic model runs, including the variability in the individual wind fields, to generate dosage probabilities. These are compared with the explicit dosage probabilities derived from the individual runs of the coupled modeling system. The results demonstrate that the specific choices made about the dynamic-model configuration and the large-scale analyses can have a large impact on the simulated dosages. For example, the area near the source that is exposed to a selected dosage threshold varies by up to a factor of 4 among members of the ensemble. The agreement between the explicit and ensemble dosage probabilities is relatively good for both low and high dosage levels. Although only one ensemble was considered in this study, the encouraging results suggest that a probabilistic dispersion model may be of value in quantifying the effects of uncertainties in a dynamic-model ensemble on dispersion model predictions of atmospheric transport and dispersion.
A new decision sciences for complex systems.
Lempert, Robert J
2002-05-14
Models of complex systems can capture much useful information but can be difficult to apply to real-world decision-making because the type of information they contain is often inconsistent with that required for traditional decision analysis. New approaches, which use inductive reasoning over large ensembles of computational experiments, now make possible systematic comparison of alternative policy options using models of complex systems. This article describes Computer-Assisted Reasoning, an approach to decision-making under conditions of deep uncertainty that is ideally suited to applying complex systems to policy analysis. The article demonstrates the approach on the policy problem of global climate change, with a particular focus on the role of technology policies in a robust, adaptive strategy for greenhouse gas abatement.
Dynamical backaction cooling with free electrons.
Niguès, A; Siria, A; Verlot, P
2015-09-18
The ability to cool single ions, atomic ensembles, and more recently macroscopic degrees of freedom down to the quantum ground state has generated considerable progress and perspectives in fundamental and technological science. These major advances have been essentially obtained by coupling mechanical motion to a resonant electromagnetic degree of freedom in what is generally known as laser cooling. Here, we experimentally demonstrate the first self-induced coherent cooling mechanism that is not mediated by an electromagnetic resonance. Using a focused electron beam, we report a 50-fold reduction of the motional temperature of a nanowire. Our result primarily relies on the sub-nanometre confinement of the electron beam and generalizes to any delayed and spatially confined interaction, with important consequences for near-field microscopy and fundamental nanoscale dissipation mechanisms.
Pu, Y-F; Jiang, N; Chang, W; Yang, H-X; Li, C; Duan, L-M
2017-05-08
To realize long-distance quantum communication and quantum network, it is required to have multiplexed quantum memory with many memory cells. Each memory cell needs to be individually addressable and independently accessible. Here we report an experiment that realizes a multiplexed DLCZ-type quantum memory with 225 individually accessible memory cells in a macroscopic atomic ensemble. As a key element for quantum repeaters, we demonstrate that entanglement with flying optical qubits can be stored into any neighboring memory cells and read out after a programmable time with high fidelity. Experimental realization of a multiplexed quantum memory with many individually accessible memory cells and programmable control of its addressing and readout makes an important step for its application in quantum information technology.
Multi-model analysis in hydrological prediction
NASA Astrophysics Data System (ADS)
Lanthier, M.; Arsenault, R.; Brissette, F.
2017-12-01
Hydrologic modelling, by nature, is a simplification of the real-world hydrologic system. Therefore ensemble hydrological predictions thus obtained do not present the full range of possible streamflow outcomes, thereby producing ensembles which demonstrate errors in variance such as under-dispersion. Past studies show that lumped models used in prediction mode can return satisfactory results, especially when there is not enough information available on the watershed to run a distributed model. But all lumped models greatly simplify the complex processes of the hydrologic cycle. To generate more spread in the hydrologic ensemble predictions, multi-model ensembles have been considered. In this study, the aim is to propose and analyse a method that gives an ensemble streamflow prediction that properly represents the forecast probabilities and reduced ensemble bias. To achieve this, three simple lumped models are used to generate an ensemble. These will also be combined using multi-model averaging techniques, which generally generate a more accurate hydrogram than the best of the individual models in simulation mode. This new predictive combined hydrogram is added to the ensemble, thus creating a large ensemble which may improve the variability while also improving the ensemble mean bias. The quality of the predictions is then assessed on different periods: 2 weeks, 1 month, 3 months and 6 months using a PIT Histogram of the percentiles of the real observation volumes with respect to the volumes of the ensemble members. Initially, the models were run using historical weather data to generate synthetic flows. This worked for individual models, but not for the multi-model and for the large ensemble. Consequently, by performing data assimilation at each prediction period and thus adjusting the initial states of the models, the PIT Histogram could be constructed using the observed flows while allowing the use of the multi-model predictions. The under-dispersion has been largely corrected on short-term predictions. For the longer term, the addition of the multi-model member has been beneficial to the quality of the predictions, although it is too early to determine whether the gain is related to the addition of a member or if multi-model member has plus-value itself.
Warren, Brandon L.; Mendoza, Michael P.; Cruz, Fabio C.; Leao, Rodrigo M.; Caprioli, Daniele; Rubio, F. Javier; Whitaker, Leslie R.; McPherson, Kylie B.; Bossert, Jennifer M.; Shaham, Yavin
2016-01-01
In operant learning, initial reward-associated memories are thought to be distinct from subsequent extinction-associated memories. Memories formed during operant learning are thought to be stored in “neuronal ensembles.” Thus, we hypothesize that different neuronal ensembles encode reward- and extinction-associated memories. Here, we examined prefrontal cortex neuronal ensembles involved in the recall of reward and extinction memories of food self-administration. We first trained rats to lever press for palatable food pellets for 7 d (1 h/d) and then exposed them to 0, 2, or 7 daily extinction sessions in which lever presses were not reinforced. Twenty-four hours after the last training or extinction session, we exposed the rats to either a short 15 min extinction test session or left them in their homecage (a control condition). We found maximal Fos (a neuronal activity marker) immunoreactivity in the ventral medial prefrontal cortex of rats that previously received 2 extinction sessions, suggesting that neuronal ensembles in this area encode extinction memories. We then used the Daun02 inactivation procedure to selectively disrupt ventral medial prefrontal cortex neuronal ensembles that were activated during the 15 min extinction session following 0 (no extinction) or 2 prior extinction sessions to determine the effects of inactivating the putative food reward and extinction ensembles, respectively, on subsequent nonreinforced food seeking 2 d later. Inactivation of the food reward ensembles decreased food seeking, whereas inactivation of the extinction ensembles increased food seeking. Our results indicate that distinct neuronal ensembles encoding operant reward and extinction memories intermingle within the same cortical area. SIGNIFICANCE STATEMENT A current popular hypothesis is that neuronal ensembles in different prefrontal cortex areas control reward-associated versus extinction-associated memories: the dorsal medial prefrontal cortex (mPFC) promotes reward seeking, whereas the ventral mPFC inhibits reward seeking. In this paper, we use the Daun02 chemogenetic inactivation procedure to demonstrate that Fos-expressing neuronal ensembles mediating both food reward and extinction memories intermingle within the same ventral mPFC area. PMID:27335401
Warren, Brandon L; Mendoza, Michael P; Cruz, Fabio C; Leao, Rodrigo M; Caprioli, Daniele; Rubio, F Javier; Whitaker, Leslie R; McPherson, Kylie B; Bossert, Jennifer M; Shaham, Yavin; Hope, Bruce T
2016-06-22
In operant learning, initial reward-associated memories are thought to be distinct from subsequent extinction-associated memories. Memories formed during operant learning are thought to be stored in "neuronal ensembles." Thus, we hypothesize that different neuronal ensembles encode reward- and extinction-associated memories. Here, we examined prefrontal cortex neuronal ensembles involved in the recall of reward and extinction memories of food self-administration. We first trained rats to lever press for palatable food pellets for 7 d (1 h/d) and then exposed them to 0, 2, or 7 daily extinction sessions in which lever presses were not reinforced. Twenty-four hours after the last training or extinction session, we exposed the rats to either a short 15 min extinction test session or left them in their homecage (a control condition). We found maximal Fos (a neuronal activity marker) immunoreactivity in the ventral medial prefrontal cortex of rats that previously received 2 extinction sessions, suggesting that neuronal ensembles in this area encode extinction memories. We then used the Daun02 inactivation procedure to selectively disrupt ventral medial prefrontal cortex neuronal ensembles that were activated during the 15 min extinction session following 0 (no extinction) or 2 prior extinction sessions to determine the effects of inactivating the putative food reward and extinction ensembles, respectively, on subsequent nonreinforced food seeking 2 d later. Inactivation of the food reward ensembles decreased food seeking, whereas inactivation of the extinction ensembles increased food seeking. Our results indicate that distinct neuronal ensembles encoding operant reward and extinction memories intermingle within the same cortical area. A current popular hypothesis is that neuronal ensembles in different prefrontal cortex areas control reward-associated versus extinction-associated memories: the dorsal medial prefrontal cortex (mPFC) promotes reward seeking, whereas the ventral mPFC inhibits reward seeking. In this paper, we use the Daun02 chemogenetic inactivation procedure to demonstrate that Fos-expressing neuronal ensembles mediating both food reward and extinction memories intermingle within the same ventral mPFC area. Copyright © 2016 the authors 0270-6474/16/366691-13$15.00/0.
Single Aerosol Particle Studies Using Optical Trapping Raman And Cavity Ringdown Spectroscopy
NASA Astrophysics Data System (ADS)
Gong, Z.; Wang, C.; Pan, Y. L.; Videen, G.
2017-12-01
Due to the physical and chemical complexity of aerosol particles and the interdisciplinary nature of aerosol science that involves physics, chemistry, and biology, our knowledge of aerosol particles is rather incomplete; our current understanding of aerosol particles is limited by averaged (over size, composition, shape, and orientation) and/or ensemble (over time, size, and multi-particles) measurements. Physically, single aerosol particles are the fundamental units of any large aerosol ensembles. Chemically, single aerosol particles carry individual chemical components (properties and constituents) in particle ensemble processes. Therefore, the study of single aerosol particles can bridge the gap between aerosol ensembles and bulk/surface properties and provide a hierarchical progression from a simple benchmark single-component system to a mixed-phase multicomponent system. A single aerosol particle can be an effective reactor to study heterogeneous surface chemistry in multiple phases. Latest technological advances provide exciting new opportunities to study single aerosol particles and to further develop single aerosol particle instrumentation. We present updates on our recent studies of single aerosol particles optically trapped in air using the optical-trapping Raman and cavity ringdown spectroscopy.
A Fractional Cartesian Composition Model for Semi-Spatial Comparative Visualization Design.
Kolesar, Ivan; Bruckner, Stefan; Viola, Ivan; Hauser, Helwig
2017-01-01
The study of spatial data ensembles leads to substantial visualization challenges in a variety of applications. In this paper, we present a model for comparative visualization that supports the design of according ensemble visualization solutions by partial automation. We focus on applications, where the user is interested in preserving selected spatial data characteristics of the data as much as possible-even when many ensemble members should be jointly studied using comparative visualization. In our model, we separate the design challenge into a minimal set of user-specified parameters and an optimization component for the automatic configuration of the remaining design variables. We provide an illustrated formal description of our model and exemplify our approach in the context of several application examples from different domains in order to demonstrate its generality within the class of comparative visualization problems for spatial data ensembles.
NASA Astrophysics Data System (ADS)
Chen, Dongyue; Lin, Jianhui; Li, Yanping
2018-06-01
Complementary ensemble empirical mode decomposition (CEEMD) has been developed for the mode-mixing problem in Empirical Mode Decomposition (EMD) method. Compared to the ensemble empirical mode decomposition (EEMD), the CEEMD method reduces residue noise in the signal reconstruction. Both CEEMD and EEMD need enough ensemble number to reduce the residue noise, and hence it would be too much computation cost. Moreover, the selection of intrinsic mode functions (IMFs) for further analysis usually depends on experience. A modified CEEMD method and IMFs evaluation index are proposed with the aim of reducing the computational cost and select IMFs automatically. A simulated signal and in-service high-speed train gearbox vibration signals are employed to validate the proposed method in this paper. The results demonstrate that the modified CEEMD can decompose the signal efficiently with less computation cost, and the IMFs evaluation index can select the meaningful IMFs automatically.
Machine Learning Predictions of a Multiresolution Climate Model Ensemble
NASA Astrophysics Data System (ADS)
Anderson, Gemma J.; Lucas, Donald D.
2018-05-01
Statistical models of high-resolution climate models are useful for many purposes, including sensitivity and uncertainty analyses, but building them can be computationally prohibitive. We generated a unique multiresolution perturbed parameter ensemble of a global climate model. We use a novel application of a machine learning technique known as random forests to train a statistical model on the ensemble to make high-resolution model predictions of two important quantities: global mean top-of-atmosphere energy flux and precipitation. The random forests leverage cheaper low-resolution simulations, greatly reducing the number of high-resolution simulations required to train the statistical model. We demonstrate that high-resolution predictions of these quantities can be obtained by training on an ensemble that includes only a small number of high-resolution simulations. We also find that global annually averaged precipitation is more sensitive to resolution changes than to any of the model parameters considered.
Bayesian Ensemble Trees (BET) for Clustering and Prediction in Heterogeneous Data
Duan, Leo L.; Clancy, John P.; Szczesniak, Rhonda D.
2016-01-01
We propose a novel “tree-averaging” model that utilizes the ensemble of classification and regression trees (CART). Each constituent tree is estimated with a subset of similar data. We treat this grouping of subsets as Bayesian Ensemble Trees (BET) and model them as a Dirichlet process. We show that BET determines the optimal number of trees by adapting to the data heterogeneity. Compared with the other ensemble methods, BET requires much fewer trees and shows equivalent prediction accuracy using weighted averaging. Moreover, each tree in BET provides variable selection criterion and interpretation for each subset. We developed an efficient estimating procedure with improved estimation strategies in both CART and mixture models. We demonstrate these advantages of BET with simulations and illustrate the approach with a real-world data example involving regression of lung function measurements obtained from patients with cystic fibrosis. Supplemental materials are available online. PMID:27524872
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.
Ensemble Perception of Dynamic Emotional Groups.
Elias, Elric; Dyer, Michael; Sweeny, Timothy D
2017-02-01
Crowds of emotional faces are ubiquitous, so much so that the visual system utilizes a specialized mechanism known as ensemble coding to see them. In addition to being proximally close, members of emotional crowds, such as a laughing audience or an angry mob, often behave together. The manner in which crowd members behave-in sync or out of sync-may be critical for understanding their collective affect. Are ensemble mechanisms sensitive to these dynamic properties of groups? Here, observers estimated the average emotion of a crowd of dynamic faces. The members of some crowds changed their expressions synchronously, whereas individuals in other crowds acted asynchronously. Observers perceived the emotion of a synchronous group more precisely than the emotion of an asynchronous crowd or even a single dynamic face. These results demonstrate that ensemble representation is particularly sensitive to coordinated behavior, and they suggest that shared behavior is critical for understanding emotion in groups.
Petrini, Paula A; Silva, Ricardo M L; de Oliveira, Rafael F; Merces, Leandro; Bof Bufon, Carlos C
2018-06-29
Considerable advances in the field of molecular electronics have been achieved over the recent years. One persistent challenge, however, is the exploitation of the electronic properties of molecules fully integrated into devices. Typically, the molecular electronic properties are investigated using sophisticated techniques incompatible with a practical device technology, such as the scanning tunneling microscopy. The incorporation of molecular materials in devices is not a trivial task as the typical dimensions of electrical contacts are much larger than the molecular ones. To tackle this issue, we report on hybrid capacitors using mechanically-compliant nanomembranes to encapsulate ultrathin molecular ensembles for the investigation of molecular dielectric properties. As the prototype material, copper (II) phthalocyanine (CuPc) has been chosen as information on its dielectric constant (k CuPc ) at the molecular scale is missing. Here, hybrid nanomembrane-based capacitors containing metallic nanomembranes, insulating Al 2 O 3 layers, and the CuPc molecular ensembles have been fabricated and evaluated. The Al 2 O 3 is used to prevent short circuits through the capacitor plates as the molecular layer is considerably thin (<30 nm). From the electrical measurements of devices with molecular layers of different thicknesses, the CuPc dielectric constant has been reliably determined (k CuPc = 4.5 ± 0.5). These values suggest a mild contribution of the molecular orientation on the CuPc dielectric properties. The reported nanomembrane-based capacitor is a viable strategy for the dielectric characterization of ultrathin molecular ensembles integrated into a practical, real device technology.
NASA Astrophysics Data System (ADS)
Petrini, Paula A.; Silva, Ricardo M. L.; de Oliveira, Rafael F.; Merces, Leandro; Bof Bufon, Carlos C.
2018-06-01
Considerable advances in the field of molecular electronics have been achieved over the recent years. One persistent challenge, however, is the exploitation of the electronic properties of molecules fully integrated into devices. Typically, the molecular electronic properties are investigated using sophisticated techniques incompatible with a practical device technology, such as the scanning tunneling microscopy. The incorporation of molecular materials in devices is not a trivial task as the typical dimensions of electrical contacts are much larger than the molecular ones. To tackle this issue, we report on hybrid capacitors using mechanically-compliant nanomembranes to encapsulate ultrathin molecular ensembles for the investigation of molecular dielectric properties. As the prototype material, copper (II) phthalocyanine (CuPc) has been chosen as information on its dielectric constant (k CuPc) at the molecular scale is missing. Here, hybrid nanomembrane-based capacitors containing metallic nanomembranes, insulating Al2O3 layers, and the CuPc molecular ensembles have been fabricated and evaluated. The Al2O3 is used to prevent short circuits through the capacitor plates as the molecular layer is considerably thin (<30 nm). From the electrical measurements of devices with molecular layers of different thicknesses, the CuPc dielectric constant has been reliably determined (k CuPc = 4.5 ± 0.5). These values suggest a mild contribution of the molecular orientation on the CuPc dielectric properties. The reported nanomembrane-based capacitor is a viable strategy for the dielectric characterization of ultrathin molecular ensembles integrated into a practical, real device technology.
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.
A benchmark for reaction coordinates in the transition path ensemble
2016-01-01
The molecular mechanism of a reaction is embedded in its transition path ensemble, the complete collection of reactive trajectories. Utilizing the information in the transition path ensemble alone, we developed a novel metric, which we termed the emergent potential energy, for distinguishing reaction coordinates from the bath modes. The emergent potential energy can be understood as the average energy cost for making a displacement of a coordinate in the transition path ensemble. Where displacing a bath mode invokes essentially no cost, it costs significantly to move the reaction coordinate. Based on some general assumptions of the behaviors of reaction and bath coordinates in the transition path ensemble, we proved theoretically with statistical mechanics that the emergent potential energy could serve as a benchmark of reaction coordinates and demonstrated its effectiveness by applying it to a prototypical system of biomolecular dynamics. Using the emergent potential energy as guidance, we developed a committor-free and intuition-independent method for identifying reaction coordinates in complex systems. We expect this method to be applicable to a wide range of reaction processes in complex biomolecular systems. PMID:27059559
Mastwal, Surjeet; Cao, Vania; Wang, Kuan Hong
2016-01-01
Mental functions involve coordinated activities of specific neuronal ensembles that are embedded in complex brain circuits. Aberrant neuronal ensemble dynamics is thought to form the neurobiological basis of mental disorders. A major challenge in mental health research is to identify these cellular ensembles and determine what molecular mechanisms constrain their emergence and consolidation during development and learning. Here, we provide a perspective based on recent studies that use activity-dependent gene Arc/Arg3.1 as a cellular marker to identify neuronal ensembles and a molecular probe to modulate circuit functions. These studies have demonstrated that the transcription of Arc is activated in selective groups of frontal cortical neurons in response to specific behavioral tasks. Arc expression regulates the persistent firing of individual neurons and predicts the consolidation of neuronal ensembles during repeated learning. Therefore, the Arc pathway represents a prototypical example of activity-dependent genetic feedback regulation of neuronal ensembles. The activation of this pathway in the frontal cortex starts during early postnatal development and requires dopaminergic (DA) input. Conversely, genetic disruption of Arc leads to a hypoactive mesofrontal dopamine circuit and its related cognitive deficit. This mutual interaction suggests an auto-regulatory mechanism to amplify the impact of neuromodulators and activity-regulated genes during postnatal development. Such a mechanism may contribute to the association of mutations in dopamine and Arc pathways with neurodevelopmental psychiatric disorders. As the mesofrontal dopamine circuit shows extensive activity-dependent developmental plasticity, activity-guided modulation of DA projections or Arc ensembles during development may help to repair circuit deficits related to neuropsychiatric disorders.
Knowledge-Based Methods To Train and Optimize Virtual Screening Ensembles
2016-01-01
Ensemble docking can be a successful virtual screening technique that addresses the innate conformational heterogeneity of macromolecular drug targets. Yet, lacking a method to identify a subset of conformational states that effectively segregates active and inactive small molecules, ensemble docking may result in the recommendation of a large number of false positives. Here, three knowledge-based methods that construct structural ensembles for virtual screening are presented. Each method selects ensembles by optimizing an objective function calculated using the receiver operating characteristic (ROC) curve: either the area under the ROC curve (AUC) or a ROC enrichment factor (EF). As the number of receptor conformations, N, becomes large, the methods differ in their asymptotic scaling. Given a set of small molecules with known activities and a collection of target conformations, the most resource intense method is guaranteed to find the optimal ensemble but scales as O(2N). A recursive approximation to the optimal solution scales as O(N2), and a more severe approximation leads to a faster method that scales linearly, O(N). The techniques are generally applicable to any system, and we demonstrate their effectiveness on the androgen nuclear hormone receptor (AR), cyclin-dependent kinase 2 (CDK2), and the peroxisome proliferator-activated receptor δ (PPAR-δ) drug targets. Conformations that consisted of a crystal structure and molecular dynamics simulation cluster centroids were used to form AR and CDK2 ensembles. Multiple available crystal structures were used to form PPAR-δ ensembles. For each target, we show that the three methods perform similarly to one another on both the training and test sets. PMID:27097522
Bassen, David M; Vilkhovoy, Michael; Minot, Mason; Butcher, Jonathan T; Varner, Jeffrey D
2017-01-25
Ensemble modeling is a promising approach for obtaining robust predictions and coarse grained population behavior in deterministic mathematical models. Ensemble approaches address model uncertainty by using parameter or model families instead of single best-fit parameters or fixed model structures. Parameter ensembles can be selected based upon simulation error, along with other criteria such as diversity or steady-state performance. Simulations using parameter ensembles can estimate confidence intervals on model variables, and robustly constrain model predictions, despite having many poorly constrained parameters. In this software note, we present a multiobjective based technique to estimate parameter or models ensembles, the Pareto Optimal Ensemble Technique in the Julia programming language (JuPOETs). JuPOETs integrates simulated annealing with Pareto optimality to estimate ensembles on or near the optimal tradeoff surface between competing training objectives. We demonstrate JuPOETs on a suite of multiobjective problems, including test functions with parameter bounds and system constraints as well as for the identification of a proof-of-concept biochemical model with four conflicting training objectives. JuPOETs identified optimal or near optimal solutions approximately six-fold faster than a corresponding implementation in Octave for the suite of test functions. For the proof-of-concept biochemical model, JuPOETs produced an ensemble of parameters that gave both the mean of the training data for conflicting data sets, while simultaneously estimating parameter sets that performed well on each of the individual objective functions. JuPOETs is a promising approach for the estimation of parameter and model ensembles using multiobjective optimization. JuPOETs can be adapted to solve many problem types, including mixed binary and continuous variable types, bilevel optimization problems and constrained problems without altering the base algorithm. JuPOETs is open source, available under an MIT license, and can be installed using the Julia package manager from the JuPOETs GitHub repository.
Gantner, Melisa E; Peroni, Roxana N; Morales, Juan F; Villalba, María L; Ruiz, María E; Talevi, Alan
2017-08-28
Breast Cancer Resistance Protein (BCRP) is an ATP-dependent efflux transporter linked to the multidrug resistance phenomenon in many diseases such as epilepsy and cancer and a potential source of drug interactions. For these reasons, the early identification of substrates and nonsubstrates of this transporter during the drug discovery stage is of great interest. We have developed a computational nonlinear model ensemble based on conformational independent molecular descriptors using a combined strategy of genetic algorithms, J48 decision tree classifiers, and data fusion. The best model ensemble consists in averaging the ranking of the 12 decision trees that showed the best performance on the training set, which also demonstrated a good performance for the test set. It was experimentally validated using the ex vivo everted rat intestinal sac model. Five anticonvulsant drugs classified as nonsubstrates for BRCP by the model ensemble were experimentally evaluated, and none of them proved to be a BCRP substrate under the experimental conditions used, thus confirming the predictive ability of the model ensemble. The model ensemble reported here is a potentially valuable tool to be used as an in silico ADME filter in computer-aided drug discovery campaigns intended to overcome BCRP-mediated multidrug resistance issues and to prevent drug-drug interactions.
An ensemble framework for identifying essential proteins.
Zhang, Xue; Xiao, Wangxin; Acencio, Marcio Luis; Lemke, Ney; Wang, Xujing
2016-08-25
Many centrality measures have been proposed to mine and characterize the correlations between network topological properties and protein essentiality. However, most of them show limited prediction accuracy, and the number of common predicted essential proteins by different methods is very small. In this paper, an ensemble framework is proposed which integrates gene expression data and protein-protein interaction networks (PINs). It aims to improve the prediction accuracy of basic centrality measures. The idea behind this ensemble framework is that different protein-protein interactions (PPIs) may show different contributions to protein essentiality. Five standard centrality measures (degree centrality, betweenness centrality, closeness centrality, eigenvector centrality, and subgraph centrality) are integrated into the ensemble framework respectively. We evaluated the performance of the proposed ensemble framework using yeast PINs and gene expression data. The results show that it can considerably improve the prediction accuracy of the five centrality measures individually. It can also remarkably increase the number of common predicted essential proteins among those predicted by each centrality measure individually and enable each centrality measure to find more low-degree essential proteins. This paper demonstrates that it is valuable to differentiate the contributions of different PPIs for identifying essential proteins based on network topological characteristics. The proposed ensemble framework is a successful paradigm to this end.
A Bayesian Ensemble Approach for Epidemiological Projections
Lindström, Tom; Tildesley, Michael; Webb, Colleen
2015-01-01
Mathematical models are powerful tools for epidemiology and can be used to compare control actions. However, different models and model parameterizations may provide different prediction of outcomes. In other fields of research, ensemble modeling has been used to combine multiple projections. We explore the possibility of applying such methods to epidemiology by adapting Bayesian techniques developed for climate forecasting. We exemplify the implementation with single model ensembles based on different parameterizations of the Warwick model run for the 2001 United Kingdom foot and mouth disease outbreak and compare the efficacy of different control actions. This allows us to investigate the effect that discrepancy among projections based on different modeling assumptions has on the ensemble prediction. A sensitivity analysis showed that the choice of prior can have a pronounced effect on the posterior estimates of quantities of interest, in particular for ensembles with large discrepancy among projections. However, by using a hierarchical extension of the method we show that prior sensitivity can be circumvented. We further extend the method to include a priori beliefs about different modeling assumptions and demonstrate that the effect of this can have different consequences depending on the discrepancy among projections. We propose that the method is a promising analytical tool for ensemble modeling of disease outbreaks. PMID:25927892
Hampson, Robert E.; Song, Dong; Chan, Rosa H.M.; Sweatt, Andrew J.; Riley, Mitchell R.; Goonawardena, Anushka V.; Marmarelis, Vasilis Z.; Gerhardt, Greg A.; Berger, Theodore W.; Deadwyler, Sam A.
2012-01-01
A major factor involved in providing closed loop feedback for control of neural function is to understand how neural ensembles encode online information critical to the final behavioral endpoint. This issue was directly assessed in rats performing a short-term delay memory task in which successful encoding of task information is dependent upon specific spatiotemporal firing patterns recorded from ensembles of CA3 and CA1 hippocampal neurons. Such patterns, extracted by a specially designed nonlinear multi-input multi-output (MIMO) nonlinear mathematical model, were used to predict successful performance online via a closed loop paradigm which regulated trial difficulty (time of retention) as a function of the “strength” of stimulus encoding. The significance of the MIMO model as a neural prosthesis has been demonstrated by substituting trains of electrical stimulation pulses to mimic these same ensemble firing patterns. This feature was used repeatedly to vary “normal” encoding as a means of understanding how neural ensembles can be “tuned” to mimic the inherent process of selecting codes of different strength and functional specificity. The capacity to enhance and tune hippocampal encoding via MIMO model detection and insertion of critical ensemble firing patterns shown here provides the basis for possible extension to other disrupted brain circuitry. PMID:22498704
Model dependence and its effect on ensemble projections in CMIP5
NASA Astrophysics Data System (ADS)
Abramowitz, G.; Bishop, C.
2013-12-01
Conceptually, the notion of model dependence within climate model ensembles is relatively simple - modelling groups share a literature base, parametrisations, data sets and even model code - the potential for dependence in sampling different climate futures is clear. How though can this conceptual problem inform a practical solution that demonstrably improves the ensemble mean and ensemble variance as an estimate of system uncertainty? While some research has already focused on error correlation or error covariance as a candidate to improve ensemble mean estimates, a complete definition of independence must at least implicitly subscribe to an ensemble interpretation paradigm, such as the 'truth-plus-error', 'indistinguishable', or more recently 'replicate Earth' paradigm. Using a definition of model dependence based on error covariance within the replicate Earth paradigm, this presentation will show that accounting for dependence in surface air temperature gives cooler projections in CMIP5 - by as much as 20% globally in some RCPs - although results differ significantly for each RCP, especially regionally. The fact that the change afforded by accounting for dependence across different RCPs is different is not an inconsistent result. Different numbers of submissions to each RCP by different modelling groups mean that differences in projections from different RCPs are not entirely about RCP forcing conditions - they also reflect different sampling strategies.
Skill of Ensemble Seasonal Probability Forecasts
NASA Astrophysics Data System (ADS)
Smith, Leonard A.; Binter, Roman; Du, Hailiang; Niehoerster, Falk
2010-05-01
In operational forecasting, the computational complexity of large simulation models is, ideally, justified by enhanced performance over simpler models. We will consider probability forecasts and contrast the skill of ENSEMBLES-based seasonal probability forecasts of interest to the finance sector (specifically temperature forecasts for Nino 3.4 and the Atlantic Main Development Region (MDR)). The ENSEMBLES model simulations will be contrasted against forecasts from statistical models based on the observations (climatological distributions) and empirical dynamics based on the observations but conditioned on the current state (dynamical climatology). For some start dates, individual ENSEMBLES models yield significant skill even at a lead-time of 14 months. The nature of this skill is discussed, and chances of application are noted. Questions surrounding the interpretation of probability forecasts based on these multi-model ensemble simulations are then considered; the distributions considered are formed by kernel dressing the ensemble and blending with the climatology. The sources of apparent (RMS) skill in distributions based on multi-model simulations is discussed, and it is demonstrated that the inclusion of "zero-skill" models in the long range can improve Root-Mean-Square-Error scores, casting some doubt on the common justification for the claim that all models should be included in forming an operational probability forecast. It is argued that the rational response varies with lead time.
Multi-Resolution Climate Ensemble Parameter Analysis with Nested Parallel Coordinates Plots.
Wang, Junpeng; Liu, Xiaotong; Shen, Han-Wei; Lin, Guang
2017-01-01
Due to the uncertain nature of weather prediction, climate simulations are usually performed multiple times with different spatial resolutions. The outputs of simulations are multi-resolution spatial temporal ensembles. Each simulation run uses a unique set of values for multiple convective parameters. Distinct parameter settings from different simulation runs in different resolutions constitute a multi-resolution high-dimensional parameter space. Understanding the correlation between the different convective parameters, and establishing a connection between the parameter settings and the ensemble outputs are crucial to domain scientists. The multi-resolution high-dimensional parameter space, however, presents a unique challenge to the existing correlation visualization techniques. We present Nested Parallel Coordinates Plot (NPCP), a new type of parallel coordinates plots that enables visualization of intra-resolution and inter-resolution parameter correlations. With flexible user control, NPCP integrates superimposition, juxtaposition and explicit encodings in a single view for comparative data visualization and analysis. We develop an integrated visual analytics system to help domain scientists understand the connection between multi-resolution convective parameters and the large spatial temporal ensembles. Our system presents intricate climate ensembles with a comprehensive overview and on-demand geographic details. We demonstrate NPCP, along with the climate ensemble visualization system, based on real-world use-cases from our collaborators in computational and predictive science.
Multiscale Macromolecular Simulation: Role of Evolving Ensembles
Singharoy, A.; Joshi, H.; Ortoleva, P.J.
2013-01-01
Multiscale analysis provides an algorithm for the efficient simulation of macromolecular assemblies. This algorithm involves the coevolution of a quasiequilibrium probability density of atomic configurations and the Langevin dynamics of spatial coarse-grained variables denoted order parameters (OPs) characterizing nanoscale system features. In practice, implementation of the probability density involves the generation of constant OP ensembles of atomic configurations. Such ensembles are used to construct thermal forces and diffusion factors that mediate the stochastic OP dynamics. Generation of all-atom ensembles at every Langevin timestep is computationally expensive. Here, multiscale computation for macromolecular systems is made more efficient by a method that self-consistently folds in ensembles of all-atom configurations constructed in an earlier step, history, of the Langevin evolution. This procedure accounts for the temporal evolution of these ensembles, accurately providing thermal forces and diffusions. It is shown that efficiency and accuracy of the OP-based simulations is increased via the integration of this historical information. Accuracy improves with the square root of the number of historical timesteps included in the calculation. As a result, CPU usage can be decreased by a factor of 3-8 without loss of accuracy. The algorithm is implemented into our existing force-field based multiscale simulation platform and demonstrated via the structural dynamics of viral capsomers. PMID:22978601
NASA Astrophysics Data System (ADS)
Priebe, Katharina E.; Rathje, Christopher; Yalunin, Sergey V.; Hohage, Thorsten; Feist, Armin; Schäfer, Sascha; Ropers, Claus
2017-12-01
Ultrafast electron and X-ray imaging and spectroscopy are the basis for an ongoing revolution in the understanding of dynamical atomic-scale processes in matter. The underlying technology relies heavily on laser science for the generation and characterization of ever shorter pulses. Recent findings suggest that ultrafast electron microscopy with attosecond-structured wavefunctions may be feasible. However, such future technologies call for means to both prepare and fully analyse the corresponding free-electron quantum states. Here, we introduce a framework for the preparation, coherent manipulation and characterization of free-electron quantum states, experimentally demonstrating attosecond electron pulse trains. Phase-locked optical fields coherently control the electron wavefunction along the beam direction. We establish a new variant of quantum state tomography—`SQUIRRELS'—for free-electron ensembles. The ability to tailor and quantitatively map electron quantum states will promote the nanoscale study of electron-matter entanglement and new forms of ultrafast electron microscopy down to the attosecond regime.
Ultralong relaxation times in bistable hybrid quantum systems.
Angerer, Andreas; Putz, Stefan; Krimer, Dmitry O; Astner, Thomas; Zens, Matthias; Glattauer, Ralph; Streltsov, Kirill; Munro, William J; Nemoto, Kae; Rotter, Stefan; Schmiedmayer, Jörg; Majer, Johannes
2017-12-01
Nonlinear systems, whose outputs are not directly proportional to their inputs, are well known to exhibit many interesting and important phenomena that have profoundly changed our technological landscape over the last 50 years. Recently, the ability to engineer quantum metamaterials through hybridization has allowed us to explore these nonlinear effects in systems with no natural analog. We investigate amplitude bistability, which is one of the most fundamental nonlinear phenomena, in a hybrid system composed of a superconducting resonator inductively coupled to an ensemble of nitrogen-vacancy centers. One of the exciting properties of this spin system is its long spin lifetime, which is many orders of magnitude longer than other relevant time scales of the hybrid system. This allows us to dynamically explore this nonlinear regime of cavity quantum electrodynamics and demonstrate a critical slowing down of the cavity population on the order of several tens of thousands of seconds-a time scale much longer than observed so far for this effect. Our results provide a foundation for future quantum technologies based on nonlinear phenomena.
Development of Ensemble Model Based Water Demand Forecasting Model
NASA Astrophysics Data System (ADS)
Kwon, Hyun-Han; So, Byung-Jin; Kim, Seong-Hyeon; Kim, Byung-Seop
2014-05-01
In recent years, Smart Water Grid (SWG) concept has globally emerged over the last decade and also gained significant recognition in South Korea. Especially, there has been growing interest in water demand forecast and optimal pump operation and this has led to various studies regarding energy saving and improvement of water supply reliability. Existing water demand forecasting models are categorized into two groups in view of modeling and predicting their behavior in time series. One is to consider embedded patterns such as seasonality, periodicity and trends, and the other one is an autoregressive model that is using short memory Markovian processes (Emmanuel et al., 2012). The main disadvantage of the abovementioned model is that there is a limit to predictability of water demands of about sub-daily scale because the system is nonlinear. In this regard, this study aims to develop a nonlinear ensemble model for hourly water demand forecasting which allow us to estimate uncertainties across different model classes. The proposed model is consist of two parts. One is a multi-model scheme that is based on combination of independent prediction model. The other one is a cross validation scheme named Bagging approach introduced by Brieman (1996) to derive weighting factors corresponding to individual models. Individual forecasting models that used in this study are linear regression analysis model, polynomial regression, multivariate adaptive regression splines(MARS), SVM(support vector machine). The concepts are demonstrated through application to observed from water plant at several locations in the South Korea. Keywords: water demand, non-linear model, the ensemble forecasting model, uncertainty. Acknowledgements This subject is supported by Korea Ministry of Environment as "Projects for Developing Eco-Innovation Technologies (GT-11-G-02-001-6)
NASA Astrophysics Data System (ADS)
Alessandri, Andrea; Felice, Matteo De; Catalano, Franco; Lee, June-Yi; Wang, Bin; Lee, Doo Young; Yoo, Jin-Ho; Weisheimer, Antije
2018-04-01
Multi-model ensembles (MMEs) are powerful tools in dynamical climate prediction as they account for the overconfidence and the uncertainties related to single-model ensembles. Previous works suggested that the potential benefit that can be expected by using a MME amplifies with the increase of the independence of the contributing Seasonal Prediction Systems. In this work we combine the two MME Seasonal Prediction Systems (SPSs) independently developed by the European (ENSEMBLES) and by the Asian-Pacific (APCC/CliPAS) communities. To this aim, all the possible multi-model combinations obtained by putting together the 5 models from ENSEMBLES and the 11 models from APCC/CliPAS have been evaluated. The grand ENSEMBLES-APCC/CliPAS MME enhances significantly the skill in predicting 2m temperature and precipitation compared to previous estimates from the contributing MMEs. Our results show that, in general, the better combinations of SPSs are obtained by mixing ENSEMBLES and APCC/CliPAS models and that only a limited number of SPSs is required to obtain the maximum performance. The number and selection of models that perform better is usually different depending on the region/phenomenon under consideration so that all models are useful in some cases. It is shown that the incremental performance contribution tends to be higher when adding one model from ENSEMBLES to APCC/CliPAS MMEs and vice versa, confirming that the benefit of using MMEs amplifies with the increase of the independence the contributing models. To verify the above results for a real world application, the Grand ENSEMBLES-APCC/CliPAS MME is used to predict retrospective energy demand over Italy as provided by TERNA (Italian Transmission System Operator) for the period 1990-2007. The results demonstrate the useful application of MME seasonal predictions for energy demand forecasting over Italy. It is shown a significant enhancement of the potential economic value of forecasting energy demand when using the better combinations from the Grand MME by comparison to the maximum value obtained from the better combinations of each of the two contributing MMEs. The above results demonstrate for the first time the potential of the Grand MME to significantly contribute in obtaining useful predictions at the seasonal time-scale.
NASA Astrophysics Data System (ADS)
Chan, Yi-Tung; Wang, Shuenn-Jyi; Tsai, Chung-Hsien
2017-09-01
Public safety is a matter of national security and people's livelihoods. In recent years, intelligent video-surveillance systems have become important active-protection systems. A surveillance system that provides early detection and threat assessment could protect people from crowd-related disasters and ensure public safety. Image processing is commonly used to extract features, e.g., people, from a surveillance video. However, little research has been conducted on the relationship between foreground detection and feature extraction. Most current video-surveillance research has been developed for restricted environments, in which the extracted features are limited by having information from a single foreground; they do not effectively represent the diversity of crowd behavior. This paper presents a general framework based on extracting ensemble features from the foreground of a surveillance video to analyze a crowd. The proposed method can flexibly integrate different foreground-detection technologies to adapt to various monitored environments. Furthermore, the extractable representative features depend on the heterogeneous foreground data. Finally, a classification algorithm is applied to these features to automatically model crowd behavior and distinguish an abnormal event from normal patterns. The experimental results demonstrate that the proposed method's performance is both comparable to that of state-of-the-art methods and satisfies the requirements of real-time applications.
CATS Near Real Time Data Products: Applications for Assimilation Into the NASA GEOS-5 AGCM
NASA Technical Reports Server (NTRS)
Hlavka, D. L.; Nowottnick, E. P.; Yorks, J. E.; Da Silva, A.; McGill, M. J.; Palm, S. P.; Selmer, P. A.; Pauly, R. M.; Ozog, S.
2017-01-01
From February 2015 through October 2017, the NASA Cloud-Aerosol Transport System (CATS) backscatter lidar operated on the International Space Station (ISS) as a technology demonstration for future Earth Science Missions, providing vertical measurements of cloud and aerosols properties. Owing to its location on the ISS, a cornerstone technology demonstration of CATS was the capability to acquire, process, and disseminate near-real time (NRT) data within 6 hours of observation time. CATS NRT data has several applications, including providing notification of hazardous events for air traffic control and air quality advisories, field campaign flight planning, as well as for constraining cloud and aerosol distributions in via data assimilation in aerosol transport models. Â Recent developments in aerosol data assimilation techniques have permitted the assimilation of aerosol optical thickness (AOT), a 2-dimensional column integrated quantity that is reflective of the simulated aerosol loading in aerosol transport models. While this capability has greatly improved simulated AOT forecasts, the vertical position, a key control on aerosol transport, is often not impacted when 2-D AOT is assimilated. Here, we present preliminary efforts to assimilate CATS aerosol observations into the NASA Goddard Earth Observing System version 5 (GEOS-5) atmospheric general circulation model and assimilation system using a 1-D Variational (1-D VAR) ensemble approach, demonstrating the utility of CATS for future Earth Science Missions.
Unsupervised Learning in an Ensemble of Spiking Neural Networks Mediated by ITDP.
Shim, Yoonsik; Philippides, Andrew; Staras, Kevin; Husbands, Phil
2016-10-01
We propose a biologically plausible architecture for unsupervised ensemble learning in a population of spiking neural network classifiers. A mixture of experts type organisation is shown to be effective, with the individual classifier outputs combined via a gating network whose operation is driven by input timing dependent plasticity (ITDP). The ITDP gating mechanism is based on recent experimental findings. An abstract, analytically tractable model of the ITDP driven ensemble architecture is derived from a logical model based on the probabilities of neural firing events. A detailed analysis of this model provides insights that allow it to be extended into a full, biologically plausible, computational implementation of the architecture which is demonstrated on a visual classification task. The extended model makes use of a style of spiking network, first introduced as a model of cortical microcircuits, that is capable of Bayesian inference, effectively performing expectation maximization. The unsupervised ensemble learning mechanism, based around such spiking expectation maximization (SEM) networks whose combined outputs are mediated by ITDP, is shown to perform the visual classification task well and to generalize to unseen data. The combined ensemble performance is significantly better than that of the individual classifiers, validating the ensemble architecture and learning mechanisms. The properties of the full model are analysed in the light of extensive experiments with the classification task, including an investigation into the influence of different input feature selection schemes and a comparison with a hierarchical STDP based ensemble architecture.
Correlated variability modifies working memory fidelity in primate prefrontal neuronal ensembles
Leavitt, Matthew L.; Pieper, Florian; Sachs, Adam J.; Martinez-Trujillo, Julio C.
2017-01-01
Neurons in the primate lateral prefrontal cortex (LPFC) encode working memory (WM) representations via sustained firing, a phenomenon hypothesized to arise from recurrent dynamics within ensembles of interconnected neurons. Here, we tested this hypothesis by using microelectrode arrays to examine spike count correlations (rsc) in LPFC neuronal ensembles during a spatial WM task. We found a pattern of pairwise rsc during WM maintenance indicative of stronger coupling between similarly tuned neurons and increased inhibition between dissimilarly tuned neurons. We then used a linear decoder to quantify the effects of the high-dimensional rsc structure on information coding in the neuronal ensembles. We found that the rsc structure could facilitate or impair coding, depending on the size of the ensemble and tuning properties of its constituent neurons. A simple optimization procedure demonstrated that near-maximum decoding performance could be achieved using a relatively small number of neurons. These WM-optimized subensembles were more signal correlation (rsignal)-diverse and anatomically dispersed than predicted by the statistics of the full recorded population of neurons, and they often contained neurons that were poorly WM-selective, yet enhanced coding fidelity by shaping the ensemble’s rsc structure. We observed a pattern of rsc between LPFC neurons indicative of recurrent dynamics as a mechanism for WM-related activity and that the rsc structure can increase the fidelity of WM representations. Thus, WM coding in LPFC neuronal ensembles arises from a complex synergy between single neuron coding properties and multidimensional, ensemble-level phenomena. PMID:28275096
Unsupervised Learning in an Ensemble of Spiking Neural Networks Mediated by ITDP
Staras, Kevin
2016-01-01
We propose a biologically plausible architecture for unsupervised ensemble learning in a population of spiking neural network classifiers. A mixture of experts type organisation is shown to be effective, with the individual classifier outputs combined via a gating network whose operation is driven by input timing dependent plasticity (ITDP). The ITDP gating mechanism is based on recent experimental findings. An abstract, analytically tractable model of the ITDP driven ensemble architecture is derived from a logical model based on the probabilities of neural firing events. A detailed analysis of this model provides insights that allow it to be extended into a full, biologically plausible, computational implementation of the architecture which is demonstrated on a visual classification task. The extended model makes use of a style of spiking network, first introduced as a model of cortical microcircuits, that is capable of Bayesian inference, effectively performing expectation maximization. The unsupervised ensemble learning mechanism, based around such spiking expectation maximization (SEM) networks whose combined outputs are mediated by ITDP, is shown to perform the visual classification task well and to generalize to unseen data. The combined ensemble performance is significantly better than that of the individual classifiers, validating the ensemble architecture and learning mechanisms. The properties of the full model are analysed in the light of extensive experiments with the classification task, including an investigation into the influence of different input feature selection schemes and a comparison with a hierarchical STDP based ensemble architecture. PMID:27760125
Hsieh, Nan-Chen; Hung, Lun-Ping; Shih, Chun-Che; Keh, Huan-Chao; Chan, Chien-Hui
2012-06-01
Endovascular aneurysm repair (EVAR) is an advanced minimally invasive surgical technology that is helpful for reducing patients' recovery time, postoperative morbidity and mortality. This study proposes an ensemble model to predict postoperative morbidity after EVAR. The ensemble model was developed using a training set of consecutive patients who underwent EVAR between 2000 and 2009. All data required for prediction modeling, including patient demographics, preoperative, co-morbidities, and complication as outcome variables, was collected prospectively and entered into a clinical database. A discretization approach was used to categorize numerical values into informative feature space. Then, the Bayesian network (BN), artificial neural network (ANN), and support vector machine (SVM) were adopted as base models, and stacking combined multiple models. The research outcomes consisted of an ensemble model to predict postoperative morbidity after EVAR, the occurrence of postoperative complications prospectively recorded, and the causal effect knowledge by BNs with Markov blanket concept.
NASA Astrophysics Data System (ADS)
Delaney, C.; Hartman, R. K.; Mendoza, J.; Whitin, B.
2017-12-01
Forecast informed reservoir operations (FIRO) is a methodology that incorporates short to mid-range precipitation and flow forecasts to inform the flood operations of reservoirs. The Ensemble Forecast Operations (EFO) alternative is a probabilistic approach of FIRO that incorporates ensemble streamflow predictions (ESPs) made by NOAA's California-Nevada River Forecast Center (CNRFC). With the EFO approach, release decisions are made to manage forecasted risk of reaching critical operational thresholds. A water management model was developed for Lake Mendocino, a 111,000 acre-foot reservoir located near Ukiah, California, to evaluate the viability of the EFO alternative to improve water supply reliability but not increase downstream flood risk. Lake Mendocino is a dual use reservoir, which is owned and operated for flood control by the United States Army Corps of Engineers and is operated for water supply by the Sonoma County Water Agency. Due to recent changes in the operations of an upstream hydroelectric facility, this reservoir has suffered from water supply reliability issues since 2007. The EFO alternative was simulated using a 26-year (1985-2010) ESP hindcast generated by the CNRFC. The ESP hindcast was developed using Global Ensemble Forecast System version 10 precipitation reforecasts processed with the Hydrologic Ensemble Forecast System to generate daily reforecasts of 61 flow ensemble members for a 15-day forecast horizon. Model simulation results demonstrate that the EFO alternative may improve water supply reliability for Lake Mendocino yet not increase flood risk for downstream areas. The developed operations framework can directly leverage improved skill in the second week of the forecast and is extendable into the S2S time domain given the demonstration of improved skill through a reliable reforecast of adequate historical duration and consistent with operationally available numerical weather predictions.
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.
Managing uncertainty in metabolic network structure and improving predictions using EnsembleFBA
2017-01-01
Genome-scale metabolic network reconstructions (GENREs) are repositories of knowledge about the metabolic processes that occur in an organism. GENREs have been used to discover and interpret metabolic functions, and to engineer novel network structures. A major barrier preventing more widespread use of GENREs, particularly to study non-model organisms, is the extensive time required to produce a high-quality GENRE. Many automated approaches have been developed which reduce this time requirement, but automatically-reconstructed draft GENREs still require curation before useful predictions can be made. We present a novel approach to the analysis of GENREs which improves the predictive capabilities of draft GENREs by representing many alternative network structures, all equally consistent with available data, and generating predictions from this ensemble. This ensemble approach is compatible with many reconstruction methods. We refer to this new approach as Ensemble Flux Balance Analysis (EnsembleFBA). We validate EnsembleFBA by predicting growth and gene essentiality in the model organism Pseudomonas aeruginosa UCBPP-PA14. We demonstrate how EnsembleFBA can be included in a systems biology workflow by predicting essential genes in six Streptococcus species and mapping the essential genes to small molecule ligands from DrugBank. We found that some metabolic subsystems contributed disproportionately to the set of predicted essential reactions in a way that was unique to each Streptococcus species, leading to species-specific outcomes from small molecule interactions. Through our analyses of P. aeruginosa and six Streptococci, we show that ensembles increase the quality of predictions without drastically increasing reconstruction time, thus making GENRE approaches more practical for applications which require predictions for many non-model organisms. All of our functions and accompanying example code are available in an open online repository. PMID:28263984
Managing uncertainty in metabolic network structure and improving predictions using EnsembleFBA.
Biggs, Matthew B; Papin, Jason A
2017-03-01
Genome-scale metabolic network reconstructions (GENREs) are repositories of knowledge about the metabolic processes that occur in an organism. GENREs have been used to discover and interpret metabolic functions, and to engineer novel network structures. A major barrier preventing more widespread use of GENREs, particularly to study non-model organisms, is the extensive time required to produce a high-quality GENRE. Many automated approaches have been developed which reduce this time requirement, but automatically-reconstructed draft GENREs still require curation before useful predictions can be made. We present a novel approach to the analysis of GENREs which improves the predictive capabilities of draft GENREs by representing many alternative network structures, all equally consistent with available data, and generating predictions from this ensemble. This ensemble approach is compatible with many reconstruction methods. We refer to this new approach as Ensemble Flux Balance Analysis (EnsembleFBA). We validate EnsembleFBA by predicting growth and gene essentiality in the model organism Pseudomonas aeruginosa UCBPP-PA14. We demonstrate how EnsembleFBA can be included in a systems biology workflow by predicting essential genes in six Streptococcus species and mapping the essential genes to small molecule ligands from DrugBank. We found that some metabolic subsystems contributed disproportionately to the set of predicted essential reactions in a way that was unique to each Streptococcus species, leading to species-specific outcomes from small molecule interactions. Through our analyses of P. aeruginosa and six Streptococci, we show that ensembles increase the quality of predictions without drastically increasing reconstruction time, thus making GENRE approaches more practical for applications which require predictions for many non-model organisms. All of our functions and accompanying example code are available in an open online repository.
Estimation of Uncertainties in the Global Distance Test (GDT_TS) for CASP Models.
Li, Wenlin; Schaeffer, R Dustin; Otwinowski, Zbyszek; Grishin, Nick V
2016-01-01
The Critical Assessment of techniques for protein Structure Prediction (or CASP) is a community-wide blind test experiment to reveal the best accomplishments of structure modeling. Assessors have been using the Global Distance Test (GDT_TS) measure to quantify prediction performance since CASP3 in 1998. However, identifying significant score differences between close models is difficult because of the lack of uncertainty estimations for this measure. Here, we utilized the atomic fluctuations caused by structure flexibility to estimate the uncertainty of GDT_TS scores. Structures determined by nuclear magnetic resonance are deposited as ensembles of alternative conformers that reflect the structural flexibility, whereas standard X-ray refinement produces the static structure averaged over time and space for the dynamic ensembles. To recapitulate the structural heterogeneous ensemble in the crystal lattice, we performed time-averaged refinement for X-ray datasets to generate structural ensembles for our GDT_TS uncertainty analysis. Using those generated ensembles, our study demonstrates that the time-averaged refinements produced structure ensembles with better agreement with the experimental datasets than the averaged X-ray structures with B-factors. The uncertainty of the GDT_TS scores, quantified by their standard deviations (SDs), increases for scores lower than 50 and 70, with maximum SDs of 0.3 and 1.23 for X-ray and NMR structures, respectively. We also applied our procedure to the high accuracy version of GDT-based score and produced similar results with slightly higher SDs. To facilitate score comparisons by the community, we developed a user-friendly web server that produces structure ensembles for NMR and X-ray structures and is accessible at http://prodata.swmed.edu/SEnCS. Our work helps to identify the significance of GDT_TS score differences, as well as to provide structure ensembles for estimating SDs of any scores.
Coherent Rabi Dynamics of a Superradiant Spin Ensemble in a Microwave Cavity
NASA Astrophysics Data System (ADS)
Rose, B. C.; Tyryshkin, A. M.; Riemann, H.; Abrosimov, N. V.; Becker, P.; Pohl, H.-J.; Thewalt, M. L. W.; Itoh, K. M.; Lyon, S. A.
2017-07-01
We achieve the strong-coupling regime between an ensemble of phosphorus donor spins in a highly enriched 28Si crystal and a 3D dielectric resonator. Spins are polarized beyond Boltzmann equilibrium using spin-selective optical excitation of the no-phonon bound exciton transition resulting in N =3.6 ×1 013 unpaired spins in the ensemble. We observe a normal mode splitting of the spin-ensemble-cavity polariton resonances of 2 g √{N }=580 kHz (where each spin is coupled with strength g ) in a cavity with a quality factor of 75 000 (γ ≪κ ≈60 kHz , where γ and κ are the spin dephasing and cavity loss rates, respectively). The spin ensemble has a long dephasing time (T2*=9 μ s ) providing a wide window for viewing the dynamics of the coupled spin-ensemble-cavity system. The free-induction decay shows up to a dozen collapses and revivals revealing a coherent exchange of excitations between the superradiant state of the spin ensemble and the cavity at the rate g √{N }. The ensemble is found to evolve as a single large pseudospin according to the Tavis-Cummings model due to minimal inhomogeneous broadening and uniform spin-cavity coupling. We demonstrate independent control of the total spin and the initial Z projection of the psuedospin using optical excitation and microwave manipulation, respectively. We vary the microwave excitation power to rotate the pseudospin on the Bloch sphere and observe a long delay in the onset of the superradiant emission as the pseudospin approaches full inversion. This delay is accompanied by an abrupt π -phase shift in the peusdospin microwave emission. The scaling of this delay with the initial angle and the sudden phase shift are explained by the Tavis-Cummings model.
Multi-objective optimization for generating a weighted multi-model ensemble
NASA Astrophysics Data System (ADS)
Lee, H.
2017-12-01
Many studies have demonstrated that multi-model ensembles generally show better skill than each ensemble member. When generating weighted multi-model ensembles, the first step is measuring the performance of individual model simulations using observations. There is a consensus on the assignment of weighting factors based on a single evaluation metric. When considering only one evaluation metric, the weighting factor for each model is proportional to a performance score or inversely proportional to an error for the model. While this conventional approach can provide appropriate combinations of multiple models, the approach confronts a big challenge when there are multiple metrics under consideration. When considering multiple evaluation metrics, it is obvious that a simple averaging of multiple performance scores or model ranks does not address the trade-off problem between conflicting metrics. So far, there seems to be no best method to generate weighted multi-model ensembles based on multiple performance metrics. The current study applies the multi-objective optimization, a mathematical process that provides a set of optimal trade-off solutions based on a range of evaluation metrics, to combining multiple performance metrics for the global climate models and their dynamically downscaled regional climate simulations over North America and generating a weighted multi-model ensemble. NASA satellite data and the Regional Climate Model Evaluation System (RCMES) software toolkit are used for assessment of the climate simulations. Overall, the performance of each model differs markedly with strong seasonal dependence. Because of the considerable variability across the climate simulations, it is important to evaluate models systematically and make future projections by assigning optimized weighting factors to the models with relatively good performance. Our results indicate that the optimally weighted multi-model ensemble always shows better performance than an arithmetic ensemble mean and may provide reliable future projections.
Chemical Structure, Ensemble and Single-Particle Spectroscopy of Thick-Shell InP-ZnSe Quantum Dots.
Reid, Kemar R; McBride, James R; Freymeyer, Nathaniel J; Thal, Lucas B; Rosenthal, Sandra J
2018-02-14
Thick-shell (>5 nm) InP-ZnSe colloidal quantum dots (QDs) grown by a continuous-injection shell growth process are reported. The growth of a thick crystalline shell is attributed to the high temperature of the growth process and the relatively low lattice mismatch between the InP core and ZnSe shell. In addition to a narrow ensemble photoluminescence (PL) line-width (∼40 nm), ensemble and single-particle emission dynamics measurements indicate that blinking and Auger recombination are reduced in these heterostructures. More specifically, high single-dot ON-times (>95%) were obtained for the core-shell QDs, and measured ensemble biexciton lifetimes, τ 2x ∼ 540 ps, represent a 7-fold increase compared to InP-ZnS QDs. Further, high-resolution energy dispersive X-ray (EDX) chemical maps directly show for the first time significant incorporation of indium into the shell of the InP-ZnSe QDs. Examination of the atomic structure of the thick-shell QDs by high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) reveals structural defects in subpopulations of particles that may mitigate PL efficiencies (∼40% in ensemble), providing insight toward further synthetic refinement. These InP-ZnSe heterostructures represent progress toward fully cadmium-free QDs with superior photophysical properties important in biological labeling and other emission-based technologies.
Numerical analysis of the chimera states in the multilayered network model
NASA Astrophysics Data System (ADS)
Goremyko, Mikhail V.; Maksimenko, Vladimir A.; Makarov, Vladimir V.; Ghosh, Dibakar; Bera, Bidesh K.; Dana, Syamal K.; Hramov, Alexander E.
2017-03-01
We numerically study the interaction between the ensembles of the Hindmarsh-Rose (HR) neuron systems, arranged in the multilayer network model. We have shown that the fully identical layers, demonstrated individually different chimera due to the initial mismatch, come to the identical chimera state with the increase of inter-layer coupling. Within the multilayer model we also consider the case, when the one layer demonstrates chimera state, while another layer exhibits coherent or incoherent dynamics. It has been shown that the interactions chimera-coherent state and chimera-incoherent state leads to the both excitation of chimera as from the ensemble of fully coherent or incoherent oscillators, and suppression of initially stable chimera state
How Interplanetary Scintillation Data Can Improve Modeling of Coronal Mass Ejection Propagation
NASA Astrophysics Data System (ADS)
Taktakishvili, A.; Mays, M. L.; Manoharan, P. K.; Rastaetter, L.; Kuznetsova, M. M.
2017-12-01
Coronal mass ejections (CMEs) can have a significant impact on the Earth's magnetosphere-ionosphere system and cause widespread anomalies for satellites from geosynchronous to low-Earth orbit and produce effects such as geomagnetically induced currents. At the NASA/GSFC Community Coordinated Modeling Center we have been using ensemble modeling of CMEs since 2012. In this presnetation we demonstrate that using of interplanetary scintillation (IPS) observations from the Ooty Radio Telescope facility in India can help to track CME propagaion and improve ensemble forecasting of CMEs. The observations of the solar wind density and velocity using IPS from hundreds of distant sources in ensemble modeling of CMEs can be a game-changing improvement of the current state of the art in CME forecasting.
Statistical Analysis of Protein Ensembles
NASA Astrophysics Data System (ADS)
Máté, Gabriell; Heermann, Dieter
2014-04-01
As 3D protein-configuration data is piling up, there is an ever-increasing need for well-defined, mathematically rigorous analysis approaches, especially that the vast majority of the currently available methods rely heavily on heuristics. We propose an analysis framework which stems from topology, the field of mathematics which studies properties preserved under continuous deformations. First, we calculate a barcode representation of the molecules employing computational topology algorithms. Bars in this barcode represent different topological features. Molecules are compared through their barcodes by statistically determining the difference in the set of their topological features. As a proof-of-principle application, we analyze a dataset compiled of ensembles of different proteins, obtained from the Ensemble Protein Database. We demonstrate that our approach correctly detects the different protein groupings.
Dynamics of heterogeneous oscillator ensembles in terms of collective variables
NASA Astrophysics Data System (ADS)
Pikovsky, Arkady; Rosenblum, Michael
2011-04-01
We consider general heterogeneous ensembles of phase oscillators, sine coupled to arbitrary external fields. Starting with the infinitely large ensembles, we extend the Watanabe-Strogatz theory, valid for identical oscillators, to cover the case of an arbitrary parameter distribution. The obtained equations yield the description of the ensemble dynamics in terms of collective variables and constants of motion. As a particular case of the general setup we consider hierarchically organized ensembles, consisting of a finite number of subpopulations, whereas the number of elements in a subpopulation can be both finite or infinite. Next, we link the Watanabe-Strogatz and Ott-Antonsen theories and demonstrate that the latter one corresponds to a particular choice of constants of motion. The approach is applied to the standard Kuramoto-Sakaguchi model, to its extension for the case of nonlinear coupling, and to the description of two interacting subpopulations, exhibiting a chimera state. With these examples we illustrate that, although the asymptotic dynamics can be found within the framework of the Ott-Antonsen theory, the transients depend on the constants of motion. The most dramatic effect is the dependence of the basins of attraction of different synchronous regimes on the initial configuration of phases.
Conductor gestures influence evaluations of ensemble performance
Morrison, Steven J.; Price, Harry E.; Smedley, Eric M.; Meals, Cory D.
2014-01-01
Previous research has found that listener evaluations of ensemble performances vary depending on the expressivity of the conductor’s gestures, even when performances are otherwise identical. It was the purpose of the present study to test whether this effect of visual information was evident in the evaluation of specific aspects of ensemble performance: articulation and dynamics. We constructed a set of 32 music performances that combined auditory and visual information and were designed to feature a high degree of contrast along one of two target characteristics: articulation and dynamics. We paired each of four music excerpts recorded by a chamber ensemble in both a high- and low-contrast condition with video of four conductors demonstrating high- and low-contrast gesture specifically appropriate to either articulation or dynamics. Using one of two equivalent test forms, college music majors and non-majors (N = 285) viewed sixteen 30 s performances and evaluated the quality of the ensemble’s articulation, dynamics, technique, and tempo along with overall expressivity. Results showed significantly higher evaluations for performances featuring high rather than low conducting expressivity regardless of the ensemble’s performance quality. Evaluations for both articulation and dynamics were strongly and positively correlated with evaluations of overall ensemble expressivity. PMID:25104944
Sensory processing patterns predict the integration of information held in visual working memory.
Lowe, Matthew X; Stevenson, Ryan A; Wilson, Kristin E; Ouslis, Natasha E; Barense, Morgan D; Cant, Jonathan S; Ferber, Susanne
2016-02-01
Given the limited resources of visual working memory, multiple items may be remembered as an averaged group or ensemble. As a result, local information may be ill-defined, but these ensemble representations provide accurate diagnostics of the natural world by combining gist information with item-level information held in visual working memory. Some neurodevelopmental disorders are characterized by sensory processing profiles that predispose individuals to avoid or seek-out sensory stimulation, fundamentally altering their perceptual experience. Here, we report such processing styles will affect the computation of ensemble statistics in the general population. We identified stable adult sensory processing patterns to demonstrate that individuals with low sensory thresholds who show a greater proclivity to engage in active response strategies to prevent sensory overstimulation are less likely to integrate mean size information across a set of similar items and are therefore more likely to be biased away from the mean size representation of an ensemble display. We therefore propose the study of ensemble processing should extend beyond the statistics of the display, and should also consider the statistics of the observer. (PsycINFO Database Record (c) 2016 APA, all rights reserved).
Dynamical backaction cooling with free electrons
Niguès, A.; Siria, A.; Verlot, P.
2015-01-01
The ability to cool single ions, atomic ensembles, and more recently macroscopic degrees of freedom down to the quantum ground state has generated considerable progress and perspectives in fundamental and technological science. These major advances have been essentially obtained by coupling mechanical motion to a resonant electromagnetic degree of freedom in what is generally known as laser cooling. Here, we experimentally demonstrate the first self-induced coherent cooling mechanism that is not mediated by an electromagnetic resonance. Using a focused electron beam, we report a 50-fold reduction of the motional temperature of a nanowire. Our result primarily relies on the sub-nanometre confinement of the electron beam and generalizes to any delayed and spatially confined interaction, with important consequences for near-field microscopy and fundamental nanoscale dissipation mechanisms. PMID:26381454
Pu, Y-F; Jiang, N.; Chang, W.; Yang, H-X; Li, C.; Duan, L-M
2017-01-01
To realize long-distance quantum communication and quantum network, it is required to have multiplexed quantum memory with many memory cells. Each memory cell needs to be individually addressable and independently accessible. Here we report an experiment that realizes a multiplexed DLCZ-type quantum memory with 225 individually accessible memory cells in a macroscopic atomic ensemble. As a key element for quantum repeaters, we demonstrate that entanglement with flying optical qubits can be stored into any neighboring memory cells and read out after a programmable time with high fidelity. Experimental realization of a multiplexed quantum memory with many individually accessible memory cells and programmable control of its addressing and readout makes an important step for its application in quantum information technology. PMID:28480891
NASA Astrophysics Data System (ADS)
Roberge, S.; Chokmani, K.; De Sève, D.
2012-04-01
The snow cover plays an important role in the hydrological cycle of Quebec (Eastern Canada). Consequently, evaluating its spatial extent interests the authorities responsible for the management of water resources, especially hydropower companies. The main objective of this study is the development of a snow-cover mapping strategy using remote sensing data and ensemble based systems techniques. Planned to be tested in a near real-time operational mode, this snow-cover mapping strategy has the advantage to provide the probability of a pixel to be snow covered and its uncertainty. Ensemble systems are made of two key components. First, a method is needed to build an ensemble of classifiers that is diverse as much as possible. Second, an approach is required to combine the outputs of individual classifiers that make up the ensemble in such a way that correct decisions are amplified, and incorrect ones are cancelled out. In this study, we demonstrate the potential of ensemble systems to snow-cover mapping using remote sensing data. The chosen classifier is a sequential thresholds algorithm using NOAA-AVHRR data adapted to conditions over Eastern Canada. Its special feature is the use of a combination of six sequential thresholds varying according to the day in the winter season. Two versions of the snow-cover mapping algorithm have been developed: one is specific for autumn (from October 1st to December 31st) and the other for spring (from March 16th to May 31st). In order to build the ensemble based system, different versions of the algorithm are created by varying randomly its parameters. One hundred of the versions are included in the ensemble. The probability of a pixel to be snow, no-snow or cloud covered corresponds to the amount of votes the pixel has been classified as such by all classifiers. The overall performance of ensemble based mapping is compared to the overall performance of the chosen classifier, and also with ground observations at meteorological stations.
Design of an Evolutionary Approach for Intrusion Detection
2013-01-01
A novel evolutionary approach is proposed for effective intrusion detection based on benchmark datasets. The proposed approach can generate a pool of noninferior individual solutions and ensemble solutions thereof. The generated ensembles can be used to detect the intrusions accurately. For intrusion detection problem, the proposed approach could consider conflicting objectives simultaneously like detection rate of each attack class, error rate, accuracy, diversity, and so forth. The proposed approach can generate a pool of noninferior solutions and ensembles thereof having optimized trade-offs values of multiple conflicting objectives. In this paper, a three-phase, approach is proposed to generate solutions to a simple chromosome design in the first phase. In the first phase, a Pareto front of noninferior individual solutions is approximated. In the second phase of the proposed approach, the entire solution set is further refined to determine effective ensemble solutions considering solution interaction. In this phase, another improved Pareto front of ensemble solutions over that of individual solutions is approximated. The ensemble solutions in improved Pareto front reported improved detection results based on benchmark datasets for intrusion detection. In the third phase, a combination method like majority voting method is used to fuse the predictions of individual solutions for determining prediction of ensemble solution. Benchmark datasets, namely, KDD cup 1999 and ISCX 2012 dataset, are used to demonstrate and validate the performance of the proposed approach for intrusion detection. The proposed approach can discover individual solutions and ensemble solutions thereof with a good support and a detection rate from benchmark datasets (in comparison with well-known ensemble methods like bagging and boosting). In addition, the proposed approach is a generalized classification approach that is applicable to the problem of any field having multiple conflicting objectives, and a dataset can be represented in the form of labelled instances in terms of its features. PMID:24376390
NASA Astrophysics Data System (ADS)
Li, N.; Kinzelbach, W.; Li, H.; Li, W.; Chen, F.; Wang, L.
2017-12-01
Data assimilation techniques are widely used in hydrology to improve the reliability of hydrological models and to reduce model predictive uncertainties. This provides critical information for decision makers in water resources management. This study aims to evaluate a data assimilation system for the Guantao groundwater flow model coupled with a one-dimensional soil column simulation (Hydrus 1D) using an Unbiased Ensemble Square Root Filter (UnEnSRF) originating from the Ensemble Kalman Filter (EnKF) to update parameters and states, separately or simultaneously. To simplify the coupling between unsaturated and saturated zone, a linear relationship obtained from analyzing inputs to and outputs from Hydrus 1D is applied in the data assimilation process. Unlike EnKF, the UnEnSRF updates parameter ensemble mean and ensemble perturbations separately. In order to keep the ensemble filter working well during the data assimilation, two factors are introduced in the study. One is called damping factor to dampen the update amplitude of the posterior ensemble mean to avoid nonrealistic values. The other is called inflation factor to relax the posterior ensemble perturbations close to prior to avoid filter inbreeding problems. The sensitivities of the two factors are studied and their favorable values for the Guantao model are determined. The appropriate observation error and ensemble size were also determined to facilitate the further analysis. This study demonstrated that the data assimilation of both model parameters and states gives a smaller model prediction error but with larger uncertainty while the data assimilation of only model states provides a smaller predictive uncertainty but with a larger model prediction error. Data assimilation in a groundwater flow model will improve model prediction and at the same time make the model converge to the true parameters, which provides a successful base for applications in real time modelling or real time controlling strategies in groundwater resources management.
NIMEFI: Gene Regulatory Network Inference using Multiple Ensemble Feature Importance Algorithms
Ruyssinck, Joeri; Huynh-Thu, Vân Anh; Geurts, Pierre; Dhaene, Tom; Demeester, Piet; Saeys, Yvan
2014-01-01
One of the long-standing open challenges in computational systems biology is the topology inference of gene regulatory networks from high-throughput omics data. Recently, two community-wide efforts, DREAM4 and DREAM5, have been established to benchmark network inference techniques using gene expression measurements. In these challenges the overall top performer was the GENIE3 algorithm. This method decomposes the network inference task into separate regression problems for each gene in the network in which the expression values of a particular target gene are predicted using all other genes as possible predictors. Next, using tree-based ensemble methods, an importance measure for each predictor gene is calculated with respect to the target gene and a high feature importance is considered as putative evidence of a regulatory link existing between both genes. The contribution of this work is twofold. First, we generalize the regression decomposition strategy of GENIE3 to other feature importance methods. We compare the performance of support vector regression, the elastic net, random forest regression, symbolic regression and their ensemble variants in this setting to the original GENIE3 algorithm. To create the ensemble variants, we propose a subsampling approach which allows us to cast any feature selection algorithm that produces a feature ranking into an ensemble feature importance algorithm. We demonstrate that the ensemble setting is key to the network inference task, as only ensemble variants achieve top performance. As second contribution, we explore the effect of using rankwise averaged predictions of multiple ensemble algorithms as opposed to only one. We name this approach NIMEFI (Network Inference using Multiple Ensemble Feature Importance algorithms) and show that this approach outperforms all individual methods in general, although on a specific network a single method can perform better. An implementation of NIMEFI has been made publicly available. PMID:24667482
Ali, Safdar; Majid, Abdul; Khan, Asifullah
2014-04-01
Development of an accurate and reliable intelligent decision-making method for the construction of cancer diagnosis system is one of the fast growing research areas of health sciences. Such decision-making system can provide adequate information for cancer diagnosis and drug discovery. Descriptors derived from physicochemical properties of protein sequences are very useful for classifying cancerous proteins. Recently, several interesting research studies have been reported on breast cancer classification. To this end, we propose the exploitation of the physicochemical properties of amino acids in protein primary sequences such as hydrophobicity (Hd) and hydrophilicity (Hb) for breast cancer classification. Hd and Hb properties of amino acids, in recent literature, are reported to be quite effective in characterizing the constituent amino acids and are used to study protein foldings, interactions, structures, and sequence-order effects. Especially, using these physicochemical properties, we observed that proline, serine, tyrosine, cysteine, arginine, and asparagine amino acids offer high discrimination between cancerous and healthy proteins. In addition, unlike traditional ensemble classification approaches, the proposed 'IDM-PhyChm-Ens' method was developed by combining the decision spaces of a specific classifier trained on different feature spaces. The different feature spaces used were amino acid composition, split amino acid composition, and pseudo amino acid composition. Consequently, we have exploited different feature spaces using Hd and Hb properties of amino acids to develop an accurate method for classification of cancerous protein sequences. We developed ensemble classifiers using diverse learning algorithms such as random forest (RF), support vector machines (SVM), and K-nearest neighbor (KNN) trained on different feature spaces. We observed that ensemble-RF, in case of cancer classification, performed better than ensemble-SVM and ensemble-KNN. Our analysis demonstrates that ensemble-RF, ensemble-SVM and ensemble-KNN are more effective than their individual counterparts. The proposed 'IDM-PhyChm-Ens' method has shown improved performance compared to existing techniques.
The role of model dynamics in ensemble Kalman filter performance for chaotic systems
Ng, G.-H.C.; McLaughlin, D.; Entekhabi, D.; Ahanin, A.
2011-01-01
The ensemble Kalman filter (EnKF) is susceptible to losing track of observations, or 'diverging', when applied to large chaotic systems such as atmospheric and ocean models. Past studies have demonstrated the adverse impact of sampling error during the filter's update step. We examine how system dynamics affect EnKF performance, and whether the absence of certain dynamic features in the ensemble may lead to divergence. The EnKF is applied to a simple chaotic model, and ensembles are checked against singular vectors of the tangent linear model, corresponding to short-term growth and Lyapunov vectors, corresponding to long-term growth. Results show that the ensemble strongly aligns itself with the subspace spanned by unstable Lyapunov vectors. Furthermore, the filter avoids divergence only if the full linearized long-term unstable subspace is spanned. However, short-term dynamics also become important as non-linearity in the system increases. Non-linear movement prevents errors in the long-term stable subspace from decaying indefinitely. If these errors then undergo linear intermittent growth, a small ensemble may fail to properly represent all important modes, causing filter divergence. A combination of long and short-term growth dynamics are thus critical to EnKF performance. These findings can help in developing practical robust filters based on model dynamics. ?? 2011 The Authors Tellus A ?? 2011 John Wiley & Sons A/S.
The Hydrologic Ensemble Prediction Experiment (HEPEX)
NASA Astrophysics Data System (ADS)
Wood, A. W.; Thielen, J.; Pappenberger, F.; Schaake, J. C.; Hartman, R. K.
2012-12-01
The Hydrologic Ensemble Prediction Experiment was established in March, 2004, at a workshop hosted by the European Center for Medium Range Weather Forecasting (ECMWF). With support from the US National Weather Service (NWS) and the European Commission (EC), the HEPEX goal was to bring the international hydrological and meteorological communities together to advance the understanding and adoption of hydrological ensemble forecasts for decision support in emergency management and water resources sectors. The strategy to meet this goal includes meetings that connect the user, forecast producer and research communities to exchange ideas, data and methods; the coordination of experiments to address specific challenges; and the formation of testbeds to facilitate shared experimentation. HEPEX has organized about a dozen international workshops, as well as sessions at scientific meetings (including AMS, AGU and EGU) and special issues of scientific journals where workshop results have been published. Today, the HEPEX mission is to demonstrate the added value of hydrological ensemble prediction systems (HEPS) for emergency management and water resources sectors to make decisions that have important consequences for economy, public health, safety, and the environment. HEPEX is now organised around six major themes that represent core elements of a hydrologic ensemble prediction enterprise: input and pre-processing, ensemble techniques, data assimilation, post-processing, verification, and communication and use in decision making. This poster presents an overview of recent and planned HEPEX activities, highlighting case studies that exemplify the focus and objectives of HEPEX.
Visualizing Confidence in Cluster-Based Ensemble Weather Forecast Analyses.
Kumpf, Alexander; Tost, Bianca; Baumgart, Marlene; Riemer, Michael; Westermann, Rudiger; Rautenhaus, Marc
2018-01-01
In meteorology, cluster analysis is frequently used to determine representative trends in ensemble weather predictions in a selected spatio-temporal region, e.g., to reduce a set of ensemble members to simplify and improve their analysis. Identified clusters (i.e., groups of similar members), however, can be very sensitive to small changes of the selected region, so that clustering results can be misleading and bias subsequent analyses. In this article, we - a team of visualization scientists and meteorologists-deliver visual analytics solutions to analyze the sensitivity of clustering results with respect to changes of a selected region. We propose an interactive visual interface that enables simultaneous visualization of a) the variation in composition of identified clusters (i.e., their robustness), b) the variability in cluster membership for individual ensemble members, and c) the uncertainty in the spatial locations of identified trends. We demonstrate that our solution shows meteorologists how representative a clustering result is, and with respect to which changes in the selected region it becomes unstable. Furthermore, our solution helps to identify those ensemble members which stably belong to a given cluster and can thus be considered similar. In a real-world application case we show how our approach is used to analyze the clustering behavior of different regions in a forecast of "Tropical Cyclone Karl", guiding the user towards the cluster robustness information required for subsequent ensemble analysis.
Walcott, Sam
2014-10-01
Molecular motors, by turning chemical energy into mechanical work, are responsible for active cellular processes. Often groups of these motors work together to perform their biological role. Motors in an ensemble are coupled and exhibit complex emergent behavior. Although large motor ensembles can be modeled with partial differential equations (PDEs) by assuming that molecules function independently of their neighbors, this assumption is violated when motors are coupled locally. It is therefore unclear how to describe the ensemble behavior of the locally coupled motors responsible for biological processes such as calcium-dependent skeletal muscle activation. Here we develop a theory to describe locally coupled motor ensembles and apply the theory to skeletal muscle activation. The central idea is that a muscle filament can be divided into two phases: an active and an inactive phase. Dynamic changes in the relative size of these phases are described by a set of linear ordinary differential equations (ODEs). As the dynamics of the active phase are described by PDEs, muscle activation is governed by a set of coupled ODEs and PDEs, building on previous PDE models. With comparison to Monte Carlo simulations, we demonstrate that the theory captures the behavior of locally coupled ensembles. The theory also plausibly describes and predicts muscle experiments from molecular to whole muscle scales, suggesting that a micro- to macroscale muscle model is within reach.
Zheng, Lianqing; Chen, Mengen; Yang, Wei
2009-06-21
To overcome the pseudoergodicity problem, conformational sampling can be accelerated via generalized ensemble methods, e.g., through the realization of random walks along prechosen collective variables, such as spatial order parameters, energy scaling parameters, or even system temperatures or pressures, etc. As usually observed, in generalized ensemble simulations, hidden barriers are likely to exist in the space perpendicular to the collective variable direction and these residual free energy barriers could greatly abolish the sampling efficiency. This sampling issue is particularly severe when the collective variable is defined in a low-dimension subset of the target system; then the "Hamiltonian lagging" problem, which reveals the fact that necessary structural relaxation falls behind the move of the collective variable, may be likely to occur. To overcome this problem in equilibrium conformational sampling, we adopted the orthogonal space random walk (OSRW) strategy, which was originally developed in the context of free energy simulation [L. Zheng, M. Chen, and W. Yang, Proc. Natl. Acad. Sci. U.S.A. 105, 20227 (2008)]. Thereby, generalized ensemble simulations can simultaneously escape both the explicit barriers along the collective variable direction and the hidden barriers that are strongly coupled with the collective variable move. As demonstrated in our model studies, the present OSRW based generalized ensemble treatments show improved sampling capability over the corresponding classical generalized ensemble treatments.
NASA Technical Reports Server (NTRS)
Williamson, Rebecca; Carbo, Jorge; Luna, Bernadette; Webbon, Bruce W.
1998-01-01
Wearing impermeable garments for hazardous materials clean up can often present a health and safety problem for the wearer. Even short duration clean up activities can produce heat stress injuries in hazardous materials workers. It was hypothesized that an internal cooling system might increase worker productivity and decrease likelihood of heat stress injuries in typical HazMat operations. Two HazMat protective ensembles were compared during treadmill exercise. The different ensembles were created using two different suits: a Trelleborg VPS suit representative of current HazMat suits and a prototype suit developed by NASA engineers. The two life support systems used were a current technology Interspiro Spirolite breathing apparatus and a liquid air breathing system that also provided convective cooling. Twelve local members of a HazMat team served as test subjects. They were fully instrumented to allow a complete physiological comparison of their thermal responses to the different ensembles. Results showed that cooling from the liquid air system significantly decreased thermal stress. The results of the subjective evaluations of new design features in the prototype suit were also highly favorable. Incorporation of these new design features could lead to significant operational advantages in the future.
Shen, Xiaobai
2010-01-01
This paper provides an historical survey of the evolution of rice technology in China, from the traditional farming system to genetically modified rice today. Using sociotechnological analytical framework, it analyses rice technology as a socio-technical ensemble - a complex interaction of material and social elements, and discusses the specificity of technology development and its socio-technical outcomes. It points to two imperatives in rice variety development: wholesale transporting agricultural technology and social mechanism to developing countries are likely lead to negative consequences; indigenous innovation including deploying GM technology for seed varietal development and capturing/cultivating local knowledge will provide better solutions.
Parameterizations for ensemble Kalman inversion
NASA Astrophysics Data System (ADS)
Chada, Neil K.; Iglesias, Marco A.; Roininen, Lassi; Stuart, Andrew M.
2018-05-01
The use of ensemble methods to solve inverse problems is attractive because it is a derivative-free methodology which is also well-adapted to parallelization. In its basic iterative form the method produces an ensemble of solutions which lie in the linear span of the initial ensemble. Choice of the parameterization of the unknown field is thus a key component of the success of the method. We demonstrate how both geometric ideas and hierarchical ideas can be used to design effective parameterizations for a number of applied inverse problems arising in electrical impedance tomography, groundwater flow and source inversion. In particular we show how geometric ideas, including the level set method, can be used to reconstruct piecewise continuous fields, and we show how hierarchical methods can be used to learn key parameters in continuous fields, such as length-scales, resulting in improved reconstructions. Geometric and hierarchical ideas are combined in the level set method to find piecewise constant reconstructions with interfaces of unknown topology.
Synchrony suppression in ensembles of coupled oscillators via adaptive vanishing feedback.
Montaseri, Ghazal; Yazdanpanah, Mohammad Javad; Pikovsky, Arkady; Rosenblum, Michael
2013-09-01
Synchronization and emergence of a collective mode is a general phenomenon, frequently observed in ensembles of coupled self-sustained oscillators of various natures. In several circumstances, in particular in cases of neurological pathologies, this state of the active medium is undesirable. Destruction of this state by a specially designed stimulation is a challenge of high clinical relevance. Typically, the precise effect of an external action on the ensemble is unknown, since the microscopic description of the oscillators and their interactions are not available. We show that, desynchronization in case of a large degree of uncertainty about important features of the system is nevertheless possible; it can be achieved by virtue of a feedback loop with an additional adaptation of parameters. The adaptation also ensures desynchronization of ensembles with non-stationary, time-varying parameters. We perform the stability analysis of the feedback-controlled system and demonstrate efficient destruction of synchrony for several models, including those of spiking and bursting neurons.
Synchrony suppression in ensembles of coupled oscillators via adaptive vanishing feedback
NASA Astrophysics Data System (ADS)
Montaseri, Ghazal; Javad Yazdanpanah, Mohammad; Pikovsky, Arkady; Rosenblum, Michael
2013-09-01
Synchronization and emergence of a collective mode is a general phenomenon, frequently observed in ensembles of coupled self-sustained oscillators of various natures. In several circumstances, in particular in cases of neurological pathologies, this state of the active medium is undesirable. Destruction of this state by a specially designed stimulation is a challenge of high clinical relevance. Typically, the precise effect of an external action on the ensemble is unknown, since the microscopic description of the oscillators and their interactions are not available. We show that, desynchronization in case of a large degree of uncertainty about important features of the system is nevertheless possible; it can be achieved by virtue of a feedback loop with an additional adaptation of parameters. The adaptation also ensures desynchronization of ensembles with non-stationary, time-varying parameters. We perform the stability analysis of the feedback-controlled system and demonstrate efficient destruction of synchrony for several models, including those of spiking and bursting neurons.
Landsgesell, Jonas; Holm, Christian; Smiatek, Jens
2017-02-14
We present a novel method for the study of weak polyelectrolytes and general acid-base reactions in molecular dynamics and Monte Carlo simulations. The approach combines the advantages of the reaction ensemble and the Wang-Landau sampling method. Deprotonation and protonation reactions are simulated explicitly with the help of the reaction ensemble method, while the accurate sampling of the corresponding phase space is achieved by the Wang-Landau approach. The combination of both techniques provides a sufficient statistical accuracy such that meaningful estimates for the density of states and the partition sum can be obtained. With regard to these estimates, several thermodynamic observables like the heat capacity or reaction free energies can be calculated. We demonstrate that the computation times for the calculation of titration curves with a high statistical accuracy can be significantly decreased when compared to the original reaction ensemble method. The applicability of our approach is validated by the study of weak polyelectrolytes and their thermodynamic properties.
A Flexible Approach for the Statistical Visualization of Ensemble Data
DOE Office of Scientific and Technical Information (OSTI.GOV)
Potter, K.; Wilson, A.; Bremer, P.
2009-09-29
Scientists are increasingly moving towards ensemble data sets to explore relationships present in dynamic systems. Ensemble data sets combine spatio-temporal simulation results generated using multiple numerical models, sampled input conditions and perturbed parameters. While ensemble data sets are a powerful tool for mitigating uncertainty, they pose significant visualization and analysis challenges due to their complexity. We present a collection of overview and statistical displays linked through a high level of interactivity to provide a framework for gaining key scientific insight into the distribution of the simulation results as well as the uncertainty associated with the data. In contrast to methodsmore » that present large amounts of diverse information in a single display, we argue that combining multiple linked statistical displays yields a clearer presentation of the data and facilitates a greater level of visual data analysis. We demonstrate this approach using driving problems from climate modeling and meteorology and discuss generalizations to other fields.« less
Fast and slow transitions in frontal ensemble activity during flexible sensorimotor behavior.
Siniscalchi, Michael J; Phoumthipphavong, Victoria; Ali, Farhan; Lozano, Marc; Kwan, Alex C
2016-09-01
The ability to shift between repetitive and goal-directed actions is a hallmark of cognitive control. Previous studies have reported that adaptive shifts in behavior are accompanied by changes of neural activity in frontal cortex. However, neural and behavioral adaptations can occur at multiple time scales, and their relationship remains poorly defined. Here we developed an adaptive sensorimotor decision-making task for head-fixed mice, requiring them to shift flexibly between multiple auditory-motor mappings. Two-photon calcium imaging of secondary motor cortex (M2) revealed different ensemble activity states for each mapping. When adapting to a conditional mapping, transitions in ensemble activity were abrupt and occurred before the recovery of behavioral performance. By contrast, gradual and delayed transitions accompanied shifts toward repetitive responding. These results demonstrate distinct ensemble signatures associated with the start versus end of sensory-guided behavior and suggest that M2 leads in engaging goal-directed response strategies that require sensorimotor associations.
Rapid learning of visual ensembles.
Chetverikov, Andrey; Campana, Gianluca; Kristjánsson, Árni
2017-02-01
We recently demonstrated that observers are capable of encoding not only summary statistics, such as mean and variance of stimulus ensembles, but also the shape of the ensembles. Here, for the first time, we show the learning dynamics of this process, investigate the possible priors for the distribution shape, and demonstrate that observers are able to learn more complex distributions, such as bimodal ones. We used speeding and slowing of response times between trials (intertrial priming) in visual search for an oddly oriented line to assess internal models of distractor distributions. Experiment 1 demonstrates that two repetitions are sufficient for enabling learning of the shape of uniform distractor distributions. In Experiment 2, we compared Gaussian and uniform distractor distributions, finding that following only two repetitions Gaussian distributions are represented differently than uniform ones. Experiment 3 further showed that when distractor distributions are bimodal (with a 30° distance between two uniform intervals), observers initially treat them as uniform, and only with further repetitions do they begin to treat the distributions as bimodal. In sum, observers do not have strong initial priors for distribution shapes and quickly learn simple ones but have the ability to adjust their representations to more complex feature distributions as information accumulates with further repetitions of the same distractor distribution.
NASA Astrophysics Data System (ADS)
Kumar, Sujay V.; Wang, Shugong; Mocko, David M.; Peters-Lidard, Christa D.; Xia, Youlong
2017-11-01
Multimodel ensembles are often used to produce ensemble mean estimates that tend to have increased simulation skill over any individual model output. If multimodel outputs are too similar, an individual LSM would add little additional information to the multimodel ensemble, whereas if the models are too dissimilar, it may be indicative of systematic errors in their formulations or configurations. The article presents a formal similarity assessment of the North American Land Data Assimilation System (NLDAS) multimodel ensemble outputs to assess their utility to the ensemble, using a confirmatory factor analysis. Outputs from four NLDAS Phase 2 models currently running in operations at NOAA/NCEP and four new/upgraded models that are under consideration for the next phase of NLDAS are employed in this study. The results show that the runoff estimates from the LSMs were most dissimilar whereas the models showed greater similarity for root zone soil moisture, snow water equivalent, and terrestrial water storage. Generally, the NLDAS operational models showed weaker association with the common factor of the ensemble and the newer versions of the LSMs showed stronger association with the common factor, with the model similarity increasing at longer time scales. Trade-offs between the similarity metrics and accuracy measures indicated that the NLDAS operational models demonstrate a larger span in the similarity-accuracy space compared to the new LSMs. The results of the article indicate that simultaneous consideration of model similarity and accuracy at the relevant time scales is necessary in the development of multimodel ensemble.
Advanced Atmospheric Ensemble Modeling Techniques
DOE Office of Scientific and Technical Information (OSTI.GOV)
Buckley, R.; Chiswell, S.; Kurzeja, R.
Ensemble modeling (EM), the creation of multiple atmospheric simulations for a given time period, has become an essential tool for characterizing uncertainties in model predictions. We explore two novel ensemble modeling techniques: (1) perturbation of model parameters (Adaptive Programming, AP), and (2) data assimilation (Ensemble Kalman Filter, EnKF). The current research is an extension to work from last year and examines transport on a small spatial scale (<100 km) in complex terrain, for more rigorous testing of the ensemble technique. Two different release cases were studied, a coastal release (SF6) and an inland release (Freon) which consisted of two releasemore » times. Observations of tracer concentration and meteorology are used to judge the ensemble results. In addition, adaptive grid techniques have been developed to reduce required computing resources for transport calculations. Using a 20- member ensemble, the standard approach generated downwind transport that was quantitatively good for both releases; however, the EnKF method produced additional improvement for the coastal release where the spatial and temporal differences due to interior valley heating lead to the inland movement of the plume. The AP technique showed improvements for both release cases, with more improvement shown in the inland release. This research demonstrated that transport accuracy can be improved when models are adapted to a particular location/time or when important local data is assimilated into the simulation and enhances SRNL’s capability in atmospheric transport modeling in support of its current customer base and local site missions, as well as our ability to attract new customers within the intelligence community.« less
HEPEX - achievements and challenges!
NASA Astrophysics Data System (ADS)
Pappenberger, Florian; Ramos, Maria-Helena; Thielen, Jutta; Wood, Andy; Wang, Qj; Duan, Qingyun; Collischonn, Walter; Verkade, Jan; Voisin, Nathalie; Wetterhall, Fredrik; Vuillaume, Jean-Francois Emmanuel; Lucatero Villasenor, Diana; Cloke, Hannah L.; Schaake, John; van Andel, Schalk-Jan
2014-05-01
HEPEX is an international initiative bringing together hydrologists, meteorologists, researchers and end-users to develop advanced probabilistic hydrological forecast techniques for improved flood, drought and water management. HEPEX was launched in 2004 as an independent, cooperative international scientific activity. During the first meeting, the overarching goal was defined as: "to develop and test procedures to produce reliable hydrological ensemble forecasts, and to demonstrate their utility in decision making related to the water, environmental and emergency management sectors." The applications of hydrological ensemble predictions span across large spatio-temporal scales, ranging from short-term and localized predictions to global climate change and regional modeling. Within the HEPEX community, information is shared through its blog (www.hepex.org), meetings, testbeds and intercompaison experiments, as well as project reportings. Key questions of HEPEX are: * What adaptations are required for meteorological ensemble systems to be coupled with hydrological ensemble systems? * How should the existing hydrological ensemble prediction systems be modified to account for all sources of uncertainty within a forecast? * What is the best way for the user community to take advantage of ensemble forecasts and to make better decisions based on them? This year HEPEX celebrates its 10th year anniversary and this poster will present a review of the main operational and research achievements and challenges prepared by Hepex contributors on data assimilation, post-processing of hydrologic predictions, forecast verification, communication and use of probabilistic forecasts in decision-making. Additionally, we will present the most recent activities implemented by Hepex and illustrate how everyone can join the community and participate to the development of new approaches in hydrologic ensemble prediction.
NASA Astrophysics Data System (ADS)
Ament, F.; Weusthoff, T.; Arpagaus, M.; Rotach, M.
2009-04-01
The main aim of the WWRP Forecast Demonstration Project MAP D-PHASE is to demonstrate the performance of today's models to forecast heavy precipitation and flood events in the Alpine region. Therefore an end-to-end, real-time forecasting system was installed and operated during the D PHASE Operations Period from June to November 2007. Part of this system are 30 numerical weather prediction models (deterministic as well as ensemble systems) operated by weather services and research institutes, which issue alerts if predicted precipitation accumulations exceed critical thresholds. Additionally to the real-time alerts, all relevant model fields of these simulations are stored in a central data archive. This comprehensive data set allows a detailed assessment of today's quantitative precipitation forecast (QPF) performance in the Alpine region. We will present results of QPF verifications against Swiss radar and rain gauge data both from a qualitative point of view, in terms of alerts, as well as from a quantitative perspective, in terms of precipitation rate. Various influencing factors like lead time, accumulation time, selection of warning thresholds, or bias corrections will be discussed. Additional to traditional verifications of area average precipitation amounts, the performance of the models to predict the correct precipitation statistics without requiring a point-to-point match will be described by using modern Fuzzy verification techniques. Both analyses reveal significant advantages of deep convection resolving models compared to coarser models with parameterized convection. An intercomparison of the model forecasts themselves reveals a remarkably high variability between different models, and makes it worthwhile to evaluate the potential of a multi-model ensemble. Various multi-model ensemble strategies will be tested by combining D-PHASE models to virtual ensemble systems.
Few-Photon Nonlinearity with an Atomic Ensemble in an Optical Cavity
NASA Astrophysics Data System (ADS)
Tanji, Haruka
2011-12-01
This thesis investigates the effect of the cavity vacuum field on the dispersive properties of an atomic ensemble in a strongly coupled high-finesse cavity. In particular, we demonstrate vacuum-induced transparency (VIT). The light absorption by the ensemble is suppressed by up to 40% in the presence of a cavity vacuum field. The sharp transparency peak is accompanied by the reduction in the group velocity of a light pulse, measured to be as low as 1800 m/s. This observation is a large step towards the realization of photon number-state filters, recently proposed by Nikoghosyan et al. Furthermore, we demonstrate few-photon optical nonlinearity, where the transparency is increased from 40% to 80% with ˜12 photons in the cavity mode. The result may be viewed as all-optical switching, where the transmission of photons in one mode may be controlled by 12 photons in another. These studies point to the possibility of nonlinear interaction between photons in different free-space modes, a scheme that circumvents cavity-coupling losses that plague cavity-based quantum information processing. Potential applications include advanced quantum devices such as photonic quantum gates, photon-number resolving detectors, and single-photon transistors. In the efforts leading up to these results, we investigate the collective enhancement of atomic coupling to a single mode of a low-finesse cavity. With the strong collective coupling, we obtain exquisite control of quantum states in the atom-photon coupled system. In this system, we demonstrate a heralded single-photon source with 84% conditional efficiency, a quantum bus for deterministic entanglement of two remote ensembles, and heralded polarization-state quantum memory with fidelity above 90%.
NASA Astrophysics Data System (ADS)
Lopez, Ana; Fung, Fai; New, Mark; Watts, Glenn; Weston, Alan; Wilby, Robert L.
2009-08-01
The majority of climate change impacts and adaptation studies so far have been based on at most a few deterministic realizations of future climate, usually representing different emissions scenarios. Large ensembles of climate models are increasingly available either as ensembles of opportunity or perturbed physics ensembles, providing a wealth of additional data that is potentially useful for improving adaptation strategies to climate change. Because of the novelty of this ensemble information, there is little previous experience of practical applications or of the added value of this information for impacts and adaptation decision making. This paper evaluates the value of perturbed physics ensembles of climate models for understanding and planning public water supply under climate change. We deliberately select water resource models that are already used by water supply companies and regulators on the assumption that uptake of information from large ensembles of climate models will be more likely if it does not involve significant investment in new modeling tools and methods. We illustrate the methods with a case study on the Wimbleball water resource zone in the southwest of England. This zone is sufficiently simple to demonstrate the utility of the approach but with enough complexity to allow a variety of different decisions to be made. Our research shows that the additional information contained in the climate model ensemble provides a better understanding of the possible ranges of future conditions, compared to the use of single-model scenarios. Furthermore, with careful presentation, decision makers will find the results from large ensembles of models more accessible and be able to more easily compare the merits of different management options and the timing of different adaptation. The overhead in additional time and expertise for carrying out the impacts analysis will be justified by the increased quality of the decision-making process. We remark that even though we have focused our study on a water resource system in the United Kingdom, our conclusions about the added value of climate model ensembles in guiding adaptation decisions can be generalized to other sectors and geographical regions.
Decoding ensemble activity from neurophysiological recordings in the temporal cortex.
Kreiman, Gabriel
2011-01-01
We study subjects with pharmacologically intractable epilepsy who undergo semi-chronic implantation of electrodes for clinical purposes. We record physiological activity from tens to more than one hundred electrodes implanted in different parts of neocortex. These recordings provide higher spatial and temporal resolution than non-invasive measures of human brain activity. Here we discuss our efforts to develop hardware and algorithms to interact with the human brain by decoding ensemble activity in single trials. We focus our discussion on decoding visual information during a variety of visual object recognition tasks but the same technologies and algorithms can also be directly applied to other cognitive phenomena.
Direct experimental observation of nonclassicality in ensembles of single-photon emitters
NASA Astrophysics Data System (ADS)
Moreva, E.; Traina, P.; Forneris, J.; Degiovanni, I. P.; Ditalia Tchernij, S.; Picollo, F.; Brida, G.; Olivero, P.; Genovese, M.
2017-11-01
In this work we experimentally demonstrate a recently proposed criterion addressed to detect nonclassical behavior in the fluorescence emission of ensembles of single-photon emitters. In particular, we apply the method to study clusters of nitrogen-vacancy centers in diamond characterized with single-photon-sensitive confocal microscopy. Theoretical considerations on the behavior of the parameter at any arbitrary order in the presence of Poissonian noise are presented and, finally, the opportunity of detecting manifold coincidences is discussed.
Dynamics of multi-frequency oscillator ensembles with resonant coupling
NASA Astrophysics Data System (ADS)
Lück, S.; Pikovsky, A.
2011-07-01
We study dynamics of populations of resonantly coupled oscillators having different frequencies. Starting from the coupled van der Pol equations we derive the Kuramoto-type phase model for the situation, where the natural frequencies of two interacting subpopulations are in relation 2:1. Depending on the parameter of coupling, ensembles can demonstrate fully synchronous clusters, partial synchrony (only one subpopulation synchronizes), or asynchrony in both subpopulations. Theoretical description of the dynamics based on the Watanabe-Strogatz approach is developed.
Application of Ensemble Kalman Filter in Power System State Tracking and Sensitivity
DOE Office of Scientific and Technical Information (OSTI.GOV)
Li, Yulan; Huang, Zhenyu; Zhou, Ning
2012-05-01
Ensemble Kalman Filter (EnKF) is proposed to track dynamic states of generators. The algorithm of EnKF and its application to generator state tracking are presented in detail. The accuracy and sensitivity of the method are analyzed with respect to initial state errors, measurement noise, unknown fault locations, time steps and parameter errors. It is demonstrated through simulation studies that even with some errors in the parameters, the developed EnKF can effectively track generator dynamic states using disturbance data.
Optimized, Budget-constrained Monitoring Well Placement Using DREAM
DOE Office of Scientific and Technical Information (OSTI.GOV)
Yonkofski, Catherine M. R.; Davidson, Casie L.; Rodriguez, Luke R.
Defining the ideal suite of monitoring technologies to be deployed at a carbon capture and storage (CCS) site presents a challenge to project developers, financers, insurers, regulators and other stakeholders. The monitoring, verification, and accounting (MVA) toolkit offers a suite of technologies to monitor an extensive range of parameters across a wide span of spatial and temporal resolutions, each with their own degree of sensitivity to changes in the parameter being monitored. Understanding how best to optimize MVA budgets to minimize the time to leak detection could help to address issues around project risks, and in turn help support broadmore » CCS deployment. This paper presents a case study demonstrating an application of the Designs for Risk Evaluation and Management (DREAM) tool using an ensemble of CO 2 leakage scenarios taken from a previous study on leakage impacts to groundwater. Impacts were assessed and monitored as a function of pH, total dissolved solids (TDS), and trace metal concentrations of arsenic (As), cadmium (Cd), chromium (Cr), and lead (Pb). Using output from the previous study, DREAM was used to optimize monitoring system designs based on variable sampling locations and parameters. The algorithm requires the user to define a finite budget to limit the number of monitoring wells and technologies deployed, and then iterates well placement and sensor type and location until it converges on the configuration with the lowest time to first detection of the leak averaged across all scenarios. To facilitate an understanding of the optimal number of sampling wells, DREAM was used to assess the marginal utility of additional sampling locations. Based on assumptions about monitoring costs and replacement costs of degraded water, the incremental cost of each additional sampling well can be compared against its marginal value in terms of avoided aquifer degradation. Applying this method, DREAM identified the most cost-effective ensemble with 14 monitoring locations. Here, while this preliminary study applied relatively simplistic cost and technology assumptions, it provides an exciting proof-of-concept for the application of DREAM to questions of cost-optimized MVA system design that are informed not only by site-specific costs and technology options, but also by reservoir simulation results developed during site characterization and operation.« less
Optimized, Budget-constrained Monitoring Well Placement Using DREAM
Yonkofski, Catherine M. R.; Davidson, Casie L.; Rodriguez, Luke R.; ...
2017-08-18
Defining the ideal suite of monitoring technologies to be deployed at a carbon capture and storage (CCS) site presents a challenge to project developers, financers, insurers, regulators and other stakeholders. The monitoring, verification, and accounting (MVA) toolkit offers a suite of technologies to monitor an extensive range of parameters across a wide span of spatial and temporal resolutions, each with their own degree of sensitivity to changes in the parameter being monitored. Understanding how best to optimize MVA budgets to minimize the time to leak detection could help to address issues around project risks, and in turn help support broadmore » CCS deployment. This paper presents a case study demonstrating an application of the Designs for Risk Evaluation and Management (DREAM) tool using an ensemble of CO 2 leakage scenarios taken from a previous study on leakage impacts to groundwater. Impacts were assessed and monitored as a function of pH, total dissolved solids (TDS), and trace metal concentrations of arsenic (As), cadmium (Cd), chromium (Cr), and lead (Pb). Using output from the previous study, DREAM was used to optimize monitoring system designs based on variable sampling locations and parameters. The algorithm requires the user to define a finite budget to limit the number of monitoring wells and technologies deployed, and then iterates well placement and sensor type and location until it converges on the configuration with the lowest time to first detection of the leak averaged across all scenarios. To facilitate an understanding of the optimal number of sampling wells, DREAM was used to assess the marginal utility of additional sampling locations. Based on assumptions about monitoring costs and replacement costs of degraded water, the incremental cost of each additional sampling well can be compared against its marginal value in terms of avoided aquifer degradation. Applying this method, DREAM identified the most cost-effective ensemble with 14 monitoring locations. Here, while this preliminary study applied relatively simplistic cost and technology assumptions, it provides an exciting proof-of-concept for the application of DREAM to questions of cost-optimized MVA system design that are informed not only by site-specific costs and technology options, but also by reservoir simulation results developed during site characterization and operation.« less
NASA Astrophysics Data System (ADS)
Alessandri, A.; De Felice, M.; Catalano, F.; Lee, J. Y.; Wang, B.; Lee, D. Y.; Yoo, J. H.; Weisheimer, A.
2017-12-01
By initiating a novel cooperation between the European and the Asian-Pacific climate-prediction communities, this work demonstrates the potential of gathering together their Multi-Model Ensembles (MMEs) to obtain useful climate predictions at seasonal time-scale.MMEs are powerful tools in dynamical climate prediction as they account for the overconfidence and the uncertainties related to single-model ensembles and increasing benefit is expected with the increase of the independence of the contributing Seasonal Prediction Systems (SPSs). In this work we combine the two MME SPSs independently developed by the European (ENSEMBLES) and by the Asian-Pacific (APCC/CliPAS) communities by establishing an unprecedented partnerships. To this aim, all the possible MME combinations obtained by putting together the 5 models from ENSEMBLES and the 11 models from APCC/CliPAS have been evaluated. The Grand ENSEMBLES-APCC/CliPAS MME enhances significantly the skill in predicting 2m temperature and precipitation. Our results show that, in general, the better combinations of SPSs are obtained by mixing ENSEMBLES and APCC/CliPAS models and that only a limited number of SPSs is required to obtain the maximum performance. The selection of models that perform better is usually different depending on the region/phenomenon under consideration so that all models are useful in some cases. It is shown that the incremental performance contribution tends to be higher when adding one model from ENSEMBLES to APCC/CliPAS MMEs and vice versa, confirming that the benefit of using MMEs amplifies with the increase of the independence the contributing models.To verify the above results for a real world application, the Grand MME is used to predict energy demand over Italy as provided by TERNA (Italian Transmission System Operator) for the period 1990-2007. The results demonstrate the useful application of MME seasonal predictions for energy demand forecasting over Italy. It is shown a significant enhancement of the potential economic value of forecasting energy demand when using the better combinations from the Grand MME by comparison to the maximum value obtained from the better combinations of each of the two contributing MMEs. Above results are discussed in a Clim Dyn paper (Alessandri et al., 2017; doi:10.1007/s00382-016-3372-4).
WONKA: objective novel complex analysis for ensembles of protein-ligand structures.
Bradley, A R; Wall, I D; von Delft, F; Green, D V S; Deane, C M; Marsden, B D
2015-10-01
WONKA is a tool for the systematic analysis of an ensemble of protein-ligand structures. It makes the identification of conserved and unusual features within such an ensemble straightforward. WONKA uses an intuitive workflow to process structural co-ordinates. Ligand and protein features are summarised and then presented within an interactive web application. WONKA's power in consolidating and summarising large amounts of data is described through the analysis of three bromodomain datasets. Furthermore, and in contrast to many current methods, WONKA relates analysis to individual ligands, from which we find unusual and erroneous binding modes. Finally the use of WONKA as an annotation tool to share observations about structures is demonstrated. WONKA is freely available to download and install locally or can be used online at http://wonka.sgc.ox.ac.uk.
Wang, Qi; Xie, Zhiyi; Li, Fangbai
2015-11-01
This study aims to identify and apportion multi-source and multi-phase heavy metal pollution from natural and anthropogenic inputs using ensemble models that include stochastic gradient boosting (SGB) and random forest (RF) in agricultural soils on the local scale. The heavy metal pollution sources were quantitatively assessed, and the results illustrated the suitability of the ensemble models for the assessment of multi-source and multi-phase heavy metal pollution in agricultural soils on the local scale. The results of SGB and RF consistently demonstrated that anthropogenic sources contributed the most to the concentrations of Pb and Cd in agricultural soils in the study region and that SGB performed better than RF. Copyright © 2015 Elsevier Ltd. All rights reserved.
Zhao, Huawei
2009-01-01
A ZEMAX model was constructed to simulate a clinical trial of intraocular lenses (IOLs) based on a clinically oriented Monte Carlo ensemble analysis using postoperative ocular parameters. The purpose of this model is to test the feasibility of streamlining and optimizing both the design process and the clinical testing of IOLs. This optical ensemble analysis (OEA) is also validated. Simulated pseudophakic eyes were generated by using the tolerancing and programming features of ZEMAX optical design software. OEA methodology was verified by demonstrating that the results of clinical performance simulations were consistent with previously published clinical performance data using the same types of IOLs. From these results we conclude that the OEA method can objectively simulate the potential clinical trial performance of IOLs.
Generalized ensemble theory with non-extensive statistics
NASA Astrophysics Data System (ADS)
Shen, Ke-Ming; Zhang, Ben-Wei; Wang, En-Ke
2017-12-01
The non-extensive canonical ensemble theory is reconsidered with the method of Lagrange multipliers by maximizing Tsallis entropy, with the constraint that the normalized term of Tsallis' q -average of physical quantities, the sum ∑ pjq, is independent of the probability pi for Tsallis parameter q. The self-referential problem in the deduced probability and thermal quantities in non-extensive statistics is thus avoided, and thermodynamical relationships are obtained in a consistent and natural way. We also extend the study to the non-extensive grand canonical ensemble theory and obtain the q-deformed Bose-Einstein distribution as well as the q-deformed Fermi-Dirac distribution. The theory is further applied to the generalized Planck law to demonstrate the distinct behaviors of the various generalized q-distribution functions discussed in literature.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Calabrese, Gabriele, E-mail: calabrese@pdi-berlin.de; Corfdir, Pierre; Gao, Guanhui
We demonstrate the self-assembled growth of vertically aligned GaN nanowire ensembles on a flexible Ti foil by plasma-assisted molecular beam epitaxy. The analysis of single nanowires by transmission electron microscopy reveals that they are single crystalline. Low-temperature photoluminescence spectroscopy demonstrates that in comparison to standard GaN nanowires grown on Si, the nanowires prepared on the Ti foil exhibit an equivalent crystalline perfection, a higher density of basal-plane stacking faults, but a reduced density of inversion domain boundaries. The room-temperature photoluminescence spectrum of the nanowire ensemble is not influenced or degraded by the bending of the substrate. The present results pavemore » the way for the fabrication of flexible optoelectronic devices based on GaN nanowires on metal foils.« less
An ensemble predictive modeling framework for breast cancer classification.
Nagarajan, Radhakrishnan; Upreti, Meenakshi
2017-12-01
Molecular changes often precede clinical presentation of diseases and can be useful surrogates with potential to assist in informed clinical decision making. Recent studies have demonstrated the usefulness of modeling approaches such as classification that can predict the clinical outcomes from molecular expression profiles. While useful, a majority of these approaches implicitly use all molecular markers as features in the classification process often resulting in sparse high-dimensional projection of the samples often comparable to that of the sample size. In this study, a variant of the recently proposed ensemble classification approach is used for predicting good and poor-prognosis breast cancer samples from their molecular expression profiles. In contrast to traditional single and ensemble classifiers, the proposed approach uses multiple base classifiers with varying feature sets obtained from two-dimensional projection of the samples in conjunction with a majority voting strategy for predicting the class labels. In contrast to our earlier implementation, base classifiers in the ensembles are chosen based on maximal sensitivity and minimal redundancy by choosing only those with low average cosine distance. The resulting ensemble sets are subsequently modeled as undirected graphs. Performance of four different classification algorithms is shown to be better within the proposed ensemble framework in contrast to using them as traditional single classifier systems. Significance of a subset of genes with high-degree centrality in the network abstractions across the poor-prognosis samples is also discussed. Copyright © 2017 Elsevier Inc. All rights reserved.
Chakravorty, Arghya; Jia, Zhe; Li, Lin; Zhao, Shan; Alexov, Emil
2018-02-13
Typically, the ensemble average polar component of solvation energy (ΔG polar solv ) of a macromolecule is computed using molecular dynamics (MD) or Monte Carlo (MC) simulations to generate conformational ensemble and then single/rigid conformation solvation energy calculation is performed on each snapshot. The primary objective of this work is to demonstrate that Poisson-Boltzmann (PB)-based approach using a Gaussian-based smooth dielectric function for macromolecular modeling previously developed by us (Li et al. J. Chem. Theory Comput. 2013, 9 (4), 2126-2136) can reproduce that ensemble average (ΔG polar solv ) of a protein from a single structure. We show that the Gaussian-based dielectric model reproduces the ensemble average ΔG polar solv (⟨ΔG polar solv ⟩) from an energy-minimized structure of a protein regardless of the minimization environment (structure minimized in vacuo, implicit or explicit waters, or crystal structure); the best case, however, is when it is paired with an in vacuo-minimized structure. In other minimization environments (implicit or explicit waters or crystal structure), the traditional two-dielectric model can still be selected with which the model produces correct solvation energies. Our observations from this work reflect how the ability to appropriately mimic the motion of residues, especially the salt bridge residues, influences a dielectric model's ability to reproduce the ensemble average value of polar solvation free energy from a single in vacuo-minimized structure.
Hernández, Griselda; Anderson, Janet S.; LeMaster, David M.
2012-01-01
The acute sensitivity to conformation exhibited by amide hydrogen exchange reactivity provides a valuable test for the physical accuracy of model ensembles developed to represent the Boltzmann distribution of the protein native state. A number of molecular dynamics studies of ubiquitin have predicted a well-populated transition in the tight turn immediately preceding the primary site of proteasome-directed polyubiquitylation Lys 48. Amide exchange reactivity analysis demonstrates that this transition is 103-fold rarer than these predictions. More strikingly, for the most populated novel conformational basin predicted from a recent 1 ms MD simulation of bovine pancreatic trypsin inhibitor (at 13% of total), experimental hydrogen exchange data indicates a population below 10−6. The most sophisticated efforts to directly incorporate experimental constraints into the derivation of model protein ensembles have been applied to ubiquitin, as illustrated by three recently deposited studies (PDB codes 2NR2, 2K39 and 2KOX). Utilizing the extensive set of experimental NOE constraints, each of these three ensembles yields a modestly more accurate prediction of the exchange rates for the highly exposed amides than does a standard unconstrained molecular simulation. However, for the less frequently exposed amide hydrogens, the 2NR2 ensemble offers no improvement in rate predictions as compared to the unconstrained MD ensemble. The other two NMR-constrained ensembles performed markedly worse, either underestimating (2KOX) or overestimating (2K39) the extent of conformational diversity. PMID:22425325
NASA Astrophysics Data System (ADS)
Wang, S.; Huang, G. H.; Baetz, B. W.; Cai, X. M.; Ancell, B. C.; Fan, Y. R.
2017-11-01
The ensemble Kalman filter (EnKF) is recognized as a powerful data assimilation technique that generates an ensemble of model variables through stochastic perturbations of forcing data and observations. However, relatively little guidance exists with regard to the proper specification of the magnitude of the perturbation and the ensemble size, posing a significant challenge in optimally implementing the EnKF. This paper presents a robust data assimilation system (RDAS), in which a multi-factorial design of the EnKF experiments is first proposed for hydrologic ensemble predictions. A multi-way analysis of variance is then used to examine potential interactions among factors affecting the EnKF experiments, achieving optimality of the RDAS with maximized performance of hydrologic predictions. The RDAS is applied to the Xiangxi River watershed which is the most representative watershed in China's Three Gorges Reservoir region to demonstrate its validity and applicability. Results reveal that the pairwise interaction between perturbed precipitation and streamflow observations has the most significant impact on the performance of the EnKF system, and their interactions vary dynamically across different settings of the ensemble size and the evapotranspiration perturbation. In addition, the interactions among experimental factors vary greatly in magnitude and direction depending on different statistical metrics for model evaluation including the Nash-Sutcliffe efficiency and the Box-Cox transformed root-mean-square error. It is thus necessary to test various evaluation metrics in order to enhance the robustness of hydrologic prediction systems.
Predicting X-ray diffuse scattering from translation–libration–screw structural ensembles
Van Benschoten, Andrew H.; Afonine, Pavel V.; Terwilliger, Thomas C.; Wall, Michael E.; Jackson, Colin J.; Sauter, Nicholas K.; Adams, Paul D.; Urzhumtsev, Alexandre; Fraser, James S.
2015-01-01
Identifying the intramolecular motions of proteins and nucleic acids is a major challenge in macromolecular X-ray crystallography. Because Bragg diffraction describes the average positional distribution of crystalline atoms with imperfect precision, the resulting electron density can be compatible with multiple models of motion. Diffuse X-ray scattering can reduce this degeneracy by reporting on correlated atomic displacements. Although recent technological advances are increasing the potential to accurately measure diffuse scattering, computational modeling and validation tools are still needed to quantify the agreement between experimental data and different parameterizations of crystalline disorder. A new tool, phenix.diffuse, addresses this need by employing Guinier’s equation to calculate diffuse scattering from Protein Data Bank (PDB)-formatted structural ensembles. As an example case, phenix.diffuse is applied to translation–libration–screw (TLS) refinement, which models rigid-body displacement for segments of the macromolecule. To enable the calculation of diffuse scattering from TLS-refined structures, phenix.tls_as_xyz builds multi-model PDB files that sample the underlying T, L and S tensors. In the glycerophosphodiesterase GpdQ, alternative TLS-group partitioning and different motional correlations between groups yield markedly dissimilar diffuse scattering maps with distinct implications for molecular mechanism and allostery. These methods demonstrate how, in principle, X-ray diffuse scattering could extend macromolecular structural refinement, validation and analysis. PMID:26249347
Predicting X-ray diffuse scattering from translation–libration–screw structural ensembles
Van Benschoten, Andrew H.; Afonine, Pavel V.; Terwilliger, Thomas C.; ...
2015-07-28
Identifying the intramolecular motions of proteins and nucleic acids is a major challenge in macromolecular X-ray crystallography. Because Bragg diffraction describes the average positional distribution of crystalline atoms with imperfect precision, the resulting electron density can be compatible with multiple models of motion. Diffuse X-ray scattering can reduce this degeneracy by reporting on correlated atomic displacements. Although recent technological advances are increasing the potential to accurately measure diffuse scattering, computational modeling and validation tools are still needed to quantify the agreement between experimental data and different parameterizations of crystalline disorder. A new tool, phenix.diffuse, addresses this need by employing Guinier'smore » equation to calculate diffuse scattering from Protein Data Bank (PDB)-formatted structural ensembles. As an example case, phenix.diffuse is applied to translation–libration–screw (TLS) refinement, which models rigid-body displacement for segments of the macromolecule. To enable the calculation of diffuse scattering from TLS-refined structures, phenix.tls_as_xyz builds multi-model PDB files that sample the underlying T, L and S tensors. In the glycerophosphodiesterase GpdQ, alternative TLS-group partitioning and different motional correlations between groups yield markedly dissimilar diffuse scattering maps with distinct implications for molecular mechanism and allostery. In addition, these methods demonstrate how, in principle, X-ray diffuse scattering could extend macromolecular structural refinement, validation and analysis.« less
GPS Technologies as a Tool to Detect the Pre-Earthquake Signals Associated with Strong Earthquakes
NASA Astrophysics Data System (ADS)
Pulinets, S. A.; Krankowski, A.; Hernandez-Pajares, M.; Liu, J. Y. G.; Hattori, K.; Davidenko, D.; Ouzounov, D.
2015-12-01
The existence of ionospheric anomalies before earthquakes is now widely accepted. These phenomena started to be considered by GPS community to mitigate the GPS signal degradation over the territories of the earthquake preparation. The question is still open if they could be useful for seismology and for short-term earthquake forecast. More than decade of intensive studies proved that ionospheric anomalies registered before earthquakes are initiated by processes in the boundary layer of atmosphere over earthquake preparation zone and are induced in the ionosphere by electromagnetic coupling through the Global Electric Circuit. Multiparameter approach based on the Lithosphere-Atmosphere-Ionosphere Coupling model demonstrated that earthquake forecast is possible only if we consider the final stage of earthquake preparation in the multidimensional space where every dimension is one from many precursors in ensemble, and they are synergistically connected. We demonstrate approaches developed in different countries (Russia, Taiwan, Japan, Spain, and Poland) within the framework of the ISSI and ESA projects) to identify the ionospheric precursors. They are also useful to determine the all three parameters necessary for the earthquake forecast: impending earthquake epicenter position, expectation time and magnitude. These parameters are calculated using different technologies of GPS signal processing: time series, correlation, spectral analysis, ionospheric tomography, wave propagation, etc. Obtained results from different teams demonstrate the high level of statistical significance and physical justification what gives us reason to suggest these methodologies for practical validation.
A new large initial condition ensemble to assess avoided impacts in a climate mitigation scenario
NASA Astrophysics Data System (ADS)
Sanderson, B. M.; Tebaldi, C.; Knutti, R.; Oleson, K. W.
2014-12-01
It has recently been demonstrated that when considering timescales of up to 50 years, natural variability may play an equal role to anthropogenic forcing on subcontinental trends for a variety of climate indicators. Thus, for many questions assessing climate impacts on such time and spatial scales, it has become clear that a significant number of ensemble members may be required to produce robust statistics (and especially so for extreme events). However, large ensemble experiments to date have considered the role of variability in a single scenario, leaving uncertain the relationship between the forced climate trajectory and the variability about that path. To address this issue, we present a new, publicly available, 15 member initial condition ensemble of 21st century climate projections for the RCP 4.5 scenario using the CESM1.1 Earth System Model, which we propose as a companion project to the existing 40 member CESM large ensemble which uses the higher greenhouse gas emission future of RCP8.5. This provides a valuable data set for assessing what societal and ecological impacts might be avoided through a moderate mitigation strategy in contrast to a fossil fuel intensive future. We present some early analyses of these combined ensembles to assess to what degree the climate variability can be considered to combine linearly with the underlying forced response. In regions where there is no detectable relationship between the mean state and the variability about the mean trajectory, then linear assumptions can be trivially exploited to utilize a single ensemble or control simulation to characterize the variability in any scenario of interest. We highlight regions where there is a detectable nonlinearity in extreme event frequency, how far in the future they will be manifested and propose mechanisms to account for these effects.
Improving medium-range ensemble streamflow forecasts through statistical post-processing
NASA Astrophysics Data System (ADS)
Mendoza, Pablo; Wood, Andy; Clark, Elizabeth; Nijssen, Bart; Clark, Martyn; Ramos, Maria-Helena; Nowak, Kenneth; Arnold, Jeffrey
2017-04-01
Probabilistic hydrologic forecasts are a powerful source of information for decision-making in water resources operations. A common approach is the hydrologic model-based generation of streamflow forecast ensembles, which can be implemented to account for different sources of uncertainties - e.g., from initial hydrologic conditions (IHCs), weather forecasts, and hydrologic model structure and parameters. In practice, hydrologic ensemble forecasts typically have biases and spread errors stemming from errors in the aforementioned elements, resulting in a degradation of probabilistic properties. In this work, we compare several statistical post-processing techniques applied to medium-range ensemble streamflow forecasts obtained with the System for Hydromet Applications, Research and Prediction (SHARP). SHARP is a fully automated prediction system for the assessment and demonstration of short-term to seasonal streamflow forecasting applications, developed by the National Center for Atmospheric Research, University of Washington, U.S. Army Corps of Engineers, and U.S. Bureau of Reclamation. The suite of post-processing techniques includes linear blending, quantile mapping, extended logistic regression, quantile regression, ensemble analogs, and the generalized linear model post-processor (GLMPP). We assess and compare these techniques using multi-year hindcasts in several river basins in the western US. This presentation discusses preliminary findings about the effectiveness of the techniques for improving probabilistic skill, reliability, discrimination, sharpness and resolution.
NASA Astrophysics Data System (ADS)
Shulman, Igor; Gould, Richard W.; Frolov, Sergey; McCarthy, Sean; Penta, Brad; Anderson, Stephanie; Sakalaukus, Peter
2018-03-01
An ensemble-based approach to specify observational error covariance in the data assimilation of satellite bio-optical properties is proposed. The observational error covariance is derived from statistical properties of the generated ensemble of satellite MODIS-Aqua chlorophyll (Chl) images. The proposed observational error covariance is used in the Optimal Interpolation scheme for the assimilation of MODIS-Aqua Chl observations. The forecast error covariance is specified in the subspace of the multivariate (bio-optical, physical) empirical orthogonal functions (EOFs) estimated from a month-long model run. The assimilation of surface MODIS-Aqua Chl improved surface and subsurface model Chl predictions. Comparisons with surface and subsurface water samples demonstrate that data assimilation run with the proposed observational error covariance has higher RMSE than the data assimilation run with "optimistic" assumption about observational errors (10% of the ensemble mean), but has smaller or comparable RMSE than data assimilation run with an assumption that observational errors equal to 35% of the ensemble mean (the target error for satellite data product for chlorophyll). Also, with the assimilation of the MODIS-Aqua Chl data, the RMSE between observed and model-predicted fractions of diatoms to the total phytoplankton is reduced by a factor of two in comparison to the nonassimilative run.
Can decadal climate predictions be improved by ocean ensemble dispersion filtering?
NASA Astrophysics Data System (ADS)
Kadow, C.; Illing, S.; Kröner, I.; Ulbrich, U.; Cubasch, U.
2017-12-01
Decadal predictions by Earth system models aim to capture the state and phase of the climate several years inadvance. Atmosphere-ocean interaction plays an important role for such climate forecasts. While short-termweather forecasts represent an initial value problem and long-term climate projections represent a boundarycondition problem, the decadal climate prediction falls in-between these two time scales. The ocean memorydue to its heat capacity holds big potential skill on the decadal scale. In recent years, more precise initializationtechniques of coupled Earth system models (incl. atmosphere and ocean) have improved decadal predictions.Ensembles are another important aspect. Applying slightly perturbed predictions results in an ensemble. Insteadof using and evaluating one prediction, but the whole ensemble or its ensemble average, improves a predictionsystem. However, climate models in general start losing the initialized signal and its predictive skill from oneforecast year to the next. Here we show that the climate prediction skill of an Earth system model can be improvedby a shift of the ocean state toward the ensemble mean of its individual members at seasonal intervals. Wefound that this procedure, called ensemble dispersion filter, results in more accurate results than the standarddecadal prediction. Global mean and regional temperature, precipitation, and winter cyclone predictions showan increased skill up to 5 years ahead. Furthermore, the novel technique outperforms predictions with largerensembles and higher resolution. Our results demonstrate how decadal climate predictions benefit from oceanensemble dispersion filtering toward the ensemble mean. This study is part of MiKlip (fona-miklip.de) - a major project on decadal climate prediction in Germany.We focus on the Max-Planck-Institute Earth System Model using the low-resolution version (MPI-ESM-LR) andMiKlip's basic initialization strategy as in 2017 published decadal climate forecast: http://www.fona-miklip.de/decadal-forecast-2017-2026/decadal-forecast-for-2017-2026/ More informations about this study in JAMES:DOI: 10.1002/2016MS000787
NASA Astrophysics Data System (ADS)
Clark, Elizabeth; Wood, Andy; Nijssen, Bart; Mendoza, Pablo; Newman, Andy; Nowak, Kenneth; Arnold, Jeffrey
2017-04-01
In an automated forecast system, hydrologic data assimilation (DA) performs the valuable function of correcting raw simulated watershed model states to better represent external observations, including measurements of streamflow, snow, soil moisture, and the like. Yet the incorporation of automated DA into operational forecasting systems has been a long-standing challenge due to the complexities of the hydrologic system, which include numerous lags between state and output variations. To help demonstrate that such methods can succeed in operational automated implementations, we present results from the real-time application of an ensemble particle filter (PF) for short-range (7 day lead) ensemble flow forecasts in western US river basins. We use the System for Hydromet Applications, Research and Prediction (SHARP), developed by the National Center for Atmospheric Research (NCAR) in collaboration with the University of Washington, U.S. Army Corps of Engineers, and U.S. Bureau of Reclamation. SHARP is a fully automated platform for short-term to seasonal hydrologic forecasting applications, incorporating uncertainty in initial hydrologic conditions (IHCs) and in hydrometeorological predictions through ensemble methods. In this implementation, IHC uncertainty is estimated by propagating an ensemble of 100 temperature and precipitation time series through conceptual and physically-oriented models. The resulting ensemble of derived IHCs exhibits a broad range of possible soil moisture and snow water equivalent (SWE) states. The PF selects and/or weights and resamples the IHCs that are most consistent with external streamflow observations, and uses the particles to initialize a streamflow forecast ensemble driven by ensemble precipitation and temperature forecasts downscaled from the Global Ensemble Forecast System (GEFS). We apply this method in real-time for several basins in the western US that are important for water resources management, and perform a hindcast experiment to evaluate the utility of PF-based data assimilation on streamflow forecasts skill. This presentation describes findings, including a comparison of sequential and non-sequential particle weighting methods.
Assessment of Surface Air Temperature over China Using Multi-criterion Model Ensemble Framework
NASA Astrophysics Data System (ADS)
Li, J.; Zhu, Q.; Su, L.; He, X.; Zhang, X.
2017-12-01
The General Circulation Models (GCMs) are designed to simulate the present climate and project future trends. It has been noticed that the performances of GCMs are not always in agreement with each other over different regions. Model ensemble techniques have been developed to post-process the GCMs' outputs and improve their prediction reliabilities. To evaluate the performances of GCMs, root-mean-square error, correlation coefficient, and uncertainty are commonly used statistical measures. However, the simultaneous achievements of these satisfactory statistics cannot be guaranteed when using many model ensemble techniques. Meanwhile, uncertainties and future scenarios are critical for Water-Energy management and operation. In this study, a new multi-model ensemble framework was proposed. It uses a state-of-art evolutionary multi-objective optimization algorithm, termed Multi-Objective Complex Evolution Global Optimization with Principle Component Analysis and Crowding Distance (MOSPD), to derive optimal GCM ensembles and demonstrate the trade-offs among various solutions. Such trade-off information was further analyzed with a robust Pareto front with respect to different statistical measures. A case study was conducted to optimize the surface air temperature (SAT) ensemble solutions over seven geographical regions of China for the historical period (1900-2005) and future projection (2006-2100). The results showed that the ensemble solutions derived with MOSPD algorithm are superior over the simple model average and any single model output during the historical simulation period. For the future prediction, the proposed ensemble framework identified that the largest SAT change would occur in the South Central China under RCP 2.6 scenario, North Eastern China under RCP 4.5 scenario, and North Western China under RCP 8.5 scenario, while the smallest SAT change would occur in the Inner Mongolia under RCP 2.6 scenario, South Central China under RCP 4.5 scenario, and South Central China under RCP 8.5 scenario.
NASA Astrophysics Data System (ADS)
Solvang Johansen, Stian; Steinsland, Ingelin; Engeland, Kolbjørn
2016-04-01
Running hydrological models with precipitation and temperature ensemble forcing to generate ensembles of streamflow is a commonly used method in operational hydrology. Evaluations of streamflow ensembles have however revealed that the ensembles are biased with respect to both mean and spread. Thus postprocessing of the ensembles is needed in order to improve the forecast skill. The aims of this study is (i) to to evaluate how postprocessing of streamflow ensembles works for Norwegian catchments within different hydrological regimes and to (ii) demonstrate how post processed streamflow ensembles are used operationally by a hydropower producer. These aims were achieved by postprocessing forecasted daily discharge for 10 lead-times for 20 catchments in Norway by using EPS forcing from ECMWF applied the semi-distributed HBV-model dividing each catchment into 10 elevation zones. Statkraft Energi uses forecasts from these catchments for scheduling hydropower production. The catchments represent different hydrological regimes. Some catchments have stable winter condition with winter low flow and a major flood event during spring or early summer caused by snow melting. Others has a more mixed snow-rain regime, often with a secondary flood season during autumn, and in the coastal areas, the stream flow is dominated by rain, and the main flood season is autumn and winter. For post processing, a Bayesian model averaging model (BMA) close to (Kleiber et al 2011) is used. The model creates a predictive PDF that is a weighted average of PDFs centered on the individual bias corrected forecasts. The weights are here equal since all ensemble members come from the same model, and thus have the same probability. For modeling streamflow, the gamma distribution is chosen as a predictive PDF. The bias correction parameters and the PDF parameters are estimated using a 30-day sliding window training period. Preliminary results show that the improvement varies between catchments depending on where they are situated and the hydrological regime. There is an improvement in CRPS for all catchments compared to raw EPS ensembles. The improvement is up to lead-time 5-7. The postprocessing also improves the MAE for the median of the predictive PDF compared to the median of the raw EPS. But less compared to CRPS, often up to lead-time 2-3. The streamflow ensembles are to some extent used operationally in Statkraft Energi (Hydro Power company, Norway), with respect to early warning, risk assessment and decision-making. Presently all forecast used operationally for short-term scheduling are deterministic, but ensembles are used visually for expert assessment of risk in difficult situations where e.g. there is a chance of overflow in a reservoir. However, there are plans to incorporate ensembles in the daily scheduling of hydropower production.
Ultralong relaxation times in bistable hybrid quantum systems
Angerer, Andreas; Putz, Stefan; Krimer, Dmitry O.; Astner, Thomas; Zens, Matthias; Glattauer, Ralph; Streltsov, Kirill; Munro, William J.; Nemoto, Kae; Rotter, Stefan; Schmiedmayer, Jörg; Majer, Johannes
2017-01-01
Nonlinear systems, whose outputs are not directly proportional to their inputs, are well known to exhibit many interesting and important phenomena that have profoundly changed our technological landscape over the last 50 years. Recently, the ability to engineer quantum metamaterials through hybridization has allowed us to explore these nonlinear effects in systems with no natural analog. We investigate amplitude bistability, which is one of the most fundamental nonlinear phenomena, in a hybrid system composed of a superconducting resonator inductively coupled to an ensemble of nitrogen-vacancy centers. One of the exciting properties of this spin system is its long spin lifetime, which is many orders of magnitude longer than other relevant time scales of the hybrid system. This allows us to dynamically explore this nonlinear regime of cavity quantum electrodynamics and demonstrate a critical slowing down of the cavity population on the order of several tens of thousands of seconds—a time scale much longer than observed so far for this effect. Our results provide a foundation for future quantum technologies based on nonlinear phenomena. PMID:29230435
Neutral Silicon-Vacancy Center in Diamond: Spin Polarization and Lifetimes
NASA Astrophysics Data System (ADS)
Green, B. L.; Mottishaw, S.; Breeze, B. G.; Edmonds, A. M.; D'Haenens-Johansson, U. F. S.; Doherty, M. W.; Williams, S. D.; Twitchen, D. J.; Newton, M. E.
2017-09-01
We demonstrate optical spin polarization of the neutrally charged silicon-vacancy defect in diamond (SiV0 ), an S =1 defect which emits with a zero-phonon line at 946 nm. The spin polarization is found to be most efficient under resonant excitation, but nonzero at below-resonant energies. We measure an ensemble spin coherence time T2>100 μ s at low-temperature, and a spin relaxation limit of T1>25 s . Optical spin-state initialization around 946 nm allows independent initialization of SiV0 and NV- within the same optically addressed volume, and SiV0 emits within the telecoms down-conversion band to 1550 nm: when combined with its high Debye-Waller factor, our initial results suggest that SiV0 is a promising candidate for a long-range quantum communication technology.
Aerosol Measurements of the Fine and Ultrafine Particle Content of Lunar Regolith
NASA Technical Reports Server (NTRS)
Greenberg, Paul S.; Chen, Da-Ren; Smith, Sally A.
2007-01-01
We report the first quantitative measurements of the ultrafine (20 to 100 nm) and fine (100 nm to 20 m) particulate components of Lunar surface regolith. The measurements were performed by gas-phase dispersal of the samples, and analysis using aerosol diagnostic techniques. This approach makes no a priori assumptions about the particle size distribution function as required by ensemble optical scattering methods, and is independent of refractive index and density. The method provides direct evaluation of effective transport diameters, in contrast to indirect scattering techniques or size information derived from two-dimensional projections of high magnification-images. The results demonstrate considerable populations in these size regimes. In light of the numerous difficulties attributed to dust exposure during the Apollo program, this outcome is of significant importance to the design of mitigation technologies for future Lunar exploration.
Cortical ensemble activity increasingly predicts behaviour outcomes during learning of a motor task
NASA Astrophysics Data System (ADS)
Laubach, Mark; Wessberg, Johan; Nicolelis, Miguel A. L.
2000-06-01
When an animal learns to make movements in response to different stimuli, changes in activity in the motor cortex seem to accompany and underlie this learning. The precise nature of modifications in cortical motor areas during the initial stages of motor learning, however, is largely unknown. Here we address this issue by chronically recording from neuronal ensembles located in the rat motor cortex, throughout the period required for rats to learn a reaction-time task. Motor learning was demonstrated by a decrease in the variance of the rats' reaction times and an increase in the time the animals were able to wait for a trigger stimulus. These behavioural changes were correlated with a significant increase in our ability to predict the correct or incorrect outcome of single trials based on three measures of neuronal ensemble activity: average firing rate, temporal patterns of firing, and correlated firing. This increase in prediction indicates that an association between sensory cues and movement emerged in the motor cortex as the task was learned. Such modifications in cortical ensemble activity may be critical for the initial learning of motor tasks.
Decimated Input Ensembles for Improved Generalization
NASA Technical Reports Server (NTRS)
Tumer, Kagan; Oza, Nikunj C.; Norvig, Peter (Technical Monitor)
1999-01-01
Recently, many researchers have demonstrated that using classifier ensembles (e.g., averaging the outputs of multiple classifiers before reaching a classification decision) leads to improved performance for many difficult generalization problems. However, in many domains there are serious impediments to such "turnkey" classification accuracy improvements. Most notable among these is the deleterious effect of highly correlated classifiers on the ensemble performance. One particular solution to this problem is generating "new" training sets by sampling the original one. However, with finite number of patterns, this causes a reduction in the training patterns each classifier sees, often resulting in considerably worsened generalization performance (particularly for high dimensional data domains) for each individual classifier. Generally, this drop in the accuracy of the individual classifier performance more than offsets any potential gains due to combining, unless diversity among classifiers is actively promoted. In this work, we introduce a method that: (1) reduces the correlation among the classifiers; (2) reduces the dimensionality of the data, thus lessening the impact of the 'curse of dimensionality'; and (3) improves the classification performance of the ensemble.
Chimera at the phase-flip transition of an ensemble of identical nonlinear oscillators
NASA Astrophysics Data System (ADS)
Gopal, R.; Chandrasekar, V. K.; Senthilkumar, D. V.; Venkatesan, A.; Lakshmanan, M.
2018-06-01
A complex collective emerging behavior characterized by coexisting coherent and incoherent domains is termed as a chimera state. We bring out the existence of a new type of chimera in a nonlocally coupled ensemble of identical oscillators driven by a common dynamic environment. The latter facilitates the onset of phase-flip bifurcation/transitions among the coupled oscillators of the ensemble, while the nonlocal coupling induces a partial asynchronization among the out-of-phase synchronized oscillators at this onset. This leads to the manifestation of coexisting out-of-phase synchronized coherent domains interspersed by asynchronous incoherent domains elucidating the existence of a different type of chimera state. In addition to this, a rich variety of other collective behaviors such as clusters with phase-flip transition, conventional chimera, solitary state and complete synchronized state which have been reported using different coupling architectures are found to be induced by the employed couplings for appropriate coupling strengths. The robustness of the resulting dynamics is demonstrated in ensembles of two paradigmatic models, namely Rössler oscillators and Stuart-Landau oscillators.
Long-distance quantum communication with atomic ensembles and linear optics.
Duan, L M; Lukin, M D; Cirac, J I; Zoller, P
2001-11-22
Quantum communication holds promise for absolutely secure transmission of secret messages and the faithful transfer of unknown quantum states. Photonic channels appear to be very attractive for the physical implementation of quantum communication. However, owing to losses and decoherence in the channel, the communication fidelity decreases exponentially with the channel length. Here we describe a scheme that allows the implementation of robust quantum communication over long lossy channels. The scheme involves laser manipulation of atomic ensembles, beam splitters, and single-photon detectors with moderate efficiencies, and is therefore compatible with current experimental technology. We show that the communication efficiency scales polynomially with the channel length, and hence the scheme should be operable over very long distances.
Operating Spin Echo in the Quantum Regime for an Atomic-Ensemble Quantum Memory
NASA Astrophysics Data System (ADS)
Rui, Jun; Jiang, Yan; Yang, Sheng-Jun; Zhao, Bo; Bao, Xiao-Hui; Pan, Jian-Wei
2015-09-01
Spin echo is a powerful technique to extend atomic or nuclear coherence times by overcoming the dephasing due to inhomogeneous broadenings. However, there are disputes about the feasibility of applying this technique to an ensemble-based quantum memory at the single-quanta level. In this experimental study, we find that noise due to imperfections of the rephasing pulses has both intense superradiant and weak isotropic parts. By properly arranging the beam directions and optimizing the pulse fidelities, we successfully manage to operate the spin echo technique in the quantum regime by observing nonclassical photon-photon correlations as well as the quantum behavior of retrieved photons. Our work for the first time demonstrates the feasibility of harnessing the spin echo method to extend the lifetime of ensemble-based quantum memories at the single-quanta level.
An Ensemble of Neural Networks for Stock Trading Decision Making
NASA Astrophysics Data System (ADS)
Chang, Pei-Chann; Liu, Chen-Hao; Fan, Chin-Yuan; Lin, Jun-Lin; Lai, Chih-Ming
Stock turning signals detection are very interesting subject arising in numerous financial and economic planning problems. In this paper, Ensemble Neural Network system with Intelligent Piecewise Linear Representation for stock turning points detection is presented. The Intelligent piecewise linear representation method is able to generate numerous stocks turning signals from the historic data base, then Ensemble Neural Network system will be applied to train the pattern and retrieve similar stock price patterns from historic data for training. These turning signals represent short-term and long-term trading signals for selling or buying stocks from the market which are applied to forecast the future turning points from the set of test data. Experimental results demonstrate that the hybrid system can make a significant and constant amount of profit when compared with other approaches using stock data available in the market.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Seiboth, Frank; Wittwer, Felix; Scholz, Maria
Wavefront errors of rotationally parabolic refractive X-ray lenses made of beryllium (Be CRLs) have been recovered for various lens sets and X-ray beam configurations. Due to manufacturing via an embossing process, aberrations of individual lenses within the investigated ensemble are very similar. By deriving a mean single-lens deformation for the ensemble, aberrations of any arbitrary lens stack can be predicted from the ensemble with σ¯ = 0.034λ. Using these findings the expected focusing performance of current Be CRLs are modeled for relevant X-ray energies and bandwidths and it is shown that a correction of aberrations can be realised without priormore » lens characterization but simply based on the derived lens deformation. As a result, the performance of aberration-corrected Be CRLs is discussed and the applicability of aberration-correction demonstrated over wide X-ray energy ranges.« less
Chetverikov, Andrey; Campana, Gianluca; Kristjánsson, Árni
2017-10-01
Colors are rarely uniform, yet little is known about how people represent color distributions. We introduce a new method for studying color ensembles based on intertrial learning in visual search. Participants looked for an oddly colored diamond among diamonds with colors taken from either uniform or Gaussian color distributions. On test trials, the targets had various distances in feature space from the mean of the preceding distractor color distribution. Targets on test trials therefore served as probes into probabilistic representations of distractor colors. Test-trial response times revealed a striking similarity between the physical distribution of colors and their internal representations. The results demonstrate that the visual system represents color ensembles in a more detailed way than previously thought, coding not only mean and variance but, most surprisingly, the actual shape (uniform or Gaussian) of the distribution of colors in the environment.
NASA Astrophysics Data System (ADS)
Stergiou, A.; Gobeze, H. B.; Petsalakis, I. D.; Zhao, S.; Shinohara, H.; D'Souza, F.; Tagmatarchis, N.
2015-09-01
Advances in organic synthetic chemistry combined with the exceptional electronic properties of carbon allotropes, particularly graphene, is the basis used to design and fabricate novel electron donor-acceptor ensembles with desired properties for technological applications. Thiophene-based materials, which are mainly thiophene-containing polymers, are known for their notable electronic properties. In this frame moving from polymer to oligomer forms, new fundamental information would help for a better understanding of their electrochemical and photophysical properties. Furthermore, a successful combination of their electronic properties with those of graphene is a challenging goal. In this study, two oligothiophene compounds, which consist of three and nine thiophene-rings and are abbreviated 3T and 9T, respectively, were synthesized and noncovalently associated with liquid phase exfoliated few-layered graphene sheets (abbreviated eG), thus forming donor-acceptor 3T/eG and 9T/eG nanoensembes. Markedly, intra-ensemble electronic interactions between the two components in the ground and excited states were evaluated with the aid of UV-Vis and photoluminescence spectroscopy. Furthermore, redox assays revealed the one-electron oxidation of 3T accompanied by one-electron reduction due to eG in 3T/eG, whereas there were two reversible one-electron oxidations of 9T accompanied by one-electron reduction of eG9T/eG. The electrochemical band gap for the 3T/eG and 9T/eG ensembles were calculated and verified, in which the negative free-energy change for the charge-separated state of 3T/eG and 9T/eGvia the singlet excited state of 3T and 9T, respectively, were thermodynamically favorable. Finally, the results of transient pump-probe spectroscopy studies at the femtosecond time scale were supportive of charge transfer type interactions in the 3T/eG and 9T/eG ensembles. The estimated rates for intra-ensemble charge separation were found to be 9.52 × 109 s-1 and 2.2 × 1011 s-1, respectively, for 3T/eG and 9T/eG in THF, which reveal moderate to ultrafast photoinduced events in the oligothiophene/graphene supramolecular ensembles.Advances in organic synthetic chemistry combined with the exceptional electronic properties of carbon allotropes, particularly graphene, is the basis used to design and fabricate novel electron donor-acceptor ensembles with desired properties for technological applications. Thiophene-based materials, which are mainly thiophene-containing polymers, are known for their notable electronic properties. In this frame moving from polymer to oligomer forms, new fundamental information would help for a better understanding of their electrochemical and photophysical properties. Furthermore, a successful combination of their electronic properties with those of graphene is a challenging goal. In this study, two oligothiophene compounds, which consist of three and nine thiophene-rings and are abbreviated 3T and 9T, respectively, were synthesized and noncovalently associated with liquid phase exfoliated few-layered graphene sheets (abbreviated eG), thus forming donor-acceptor 3T/eG and 9T/eG nanoensembes. Markedly, intra-ensemble electronic interactions between the two components in the ground and excited states were evaluated with the aid of UV-Vis and photoluminescence spectroscopy. Furthermore, redox assays revealed the one-electron oxidation of 3T accompanied by one-electron reduction due to eG in 3T/eG, whereas there were two reversible one-electron oxidations of 9T accompanied by one-electron reduction of eG9T/eG. The electrochemical band gap for the 3T/eG and 9T/eG ensembles were calculated and verified, in which the negative free-energy change for the charge-separated state of 3T/eG and 9T/eGvia the singlet excited state of 3T and 9T, respectively, were thermodynamically favorable. Finally, the results of transient pump-probe spectroscopy studies at the femtosecond time scale were supportive of charge transfer type interactions in the 3T/eG and 9T/eG ensembles. The estimated rates for intra-ensemble charge separation were found to be 9.52 × 109 s-1 and 2.2 × 1011 s-1, respectively, for 3T/eG and 9T/eG in THF, which reveal moderate to ultrafast photoinduced events in the oligothiophene/graphene supramolecular ensembles. Electronic supplementary information (ESI) available: NMR, MS, ATR-IR, UV-Vis spectra, CV graphs, femto- and nano-second transient absorption spectra of oligothiophenes and their ensembles with exfoliated graphene. See DOI: 10.1039/c5nr04875c
A random matrix approach to credit risk.
Münnix, Michael C; Schäfer, Rudi; Guhr, Thomas
2014-01-01
We estimate generic statistical properties of a structural credit risk model by considering an ensemble of correlation matrices. This ensemble is set up by Random Matrix Theory. We demonstrate analytically that the presence of correlations severely limits the effect of diversification in a credit portfolio if the correlations are not identically zero. The existence of correlations alters the tails of the loss distribution considerably, even if their average is zero. Under the assumption of randomly fluctuating correlations, a lower bound for the estimation of the loss distribution is provided.
A Random Matrix Approach to Credit Risk
Guhr, Thomas
2014-01-01
We estimate generic statistical properties of a structural credit risk model by considering an ensemble of correlation matrices. This ensemble is set up by Random Matrix Theory. We demonstrate analytically that the presence of correlations severely limits the effect of diversification in a credit portfolio if the correlations are not identically zero. The existence of correlations alters the tails of the loss distribution considerably, even if their average is zero. Under the assumption of randomly fluctuating correlations, a lower bound for the estimation of the loss distribution is provided. PMID:24853864
NASA Astrophysics Data System (ADS)
Karmalkar, A.; Sexton, D.; Murphy, J.
2017-12-01
We present exploratory work towards developing an efficient strategy to select variants of a state-of-the-art but expensive climate model suitable for climate projection studies. The strategy combines information from a set of idealized perturbed parameter ensemble (PPE) and CMIP5 multi-model ensemble (MME) experiments, and uses two criteria as basis to select model variants for a PPE suitable for future projections: a) acceptable model performance at two different timescales, and b) maintaining diversity in model response to climate change. We demonstrate that there is a strong relationship between model errors at weather and climate timescales for a variety of key variables. This relationship is used to filter out parts of parameter space that do not give credible simulations of historical climate, while minimizing the impact on ranges in forcings and feedbacks that drive model responses to climate change. We use statistical emulation to explore the parameter space thoroughly, and demonstrate that about 90% can be filtered out without affecting diversity in global-scale climate change responses. This leads to identification of plausible parts of parameter space from which model variants can be selected for projection studies.
Probabilistic Climate Scenario Information for Risk Assessment
NASA Astrophysics Data System (ADS)
Dairaku, K.; Ueno, G.; Takayabu, I.
2014-12-01
Climate information and services for Impacts, Adaptation and Vulnerability (IAV) Assessments are of great concern. In order to develop probabilistic regional climate information that represents the uncertainty in climate scenario experiments in Japan, we compared the physics ensemble experiments using the 60km global atmospheric model of the Meteorological Research Institute (MRI-AGCM) with multi-model ensemble experiments with global atmospheric-ocean coupled models (CMIP3) of SRES A1b scenario experiments. The MRI-AGCM shows relatively good skills particularly in tropics for temperature and geopotential height. Variability in surface air temperature of physical ensemble experiments with MRI-AGCM was within the range of one standard deviation of the CMIP3 model in the Asia region. On the other hand, the variability of precipitation was relatively well represented compared with the variation of the CMIP3 models. Models which show the similar reproducibility in the present climate shows different future climate change. We couldn't find clear relationships between present climate and future climate change in temperature and precipitation. We develop a new method to produce probabilistic information of climate change scenarios by weighting model ensemble experiments based on a regression model (Krishnamurti et al., Science, 1999). The method can be easily applicable to other regions and other physical quantities, and also to downscale to finer-scale dependent on availability of observation dataset. The prototype of probabilistic information in Japan represents the quantified structural uncertainties of multi-model ensemble experiments of climate change scenarios. Acknowledgments: This study was supported by the SOUSEI Program, funded by Ministry of Education, Culture, Sports, Science and Technology, Government of Japan.
Smith, Morgan E; Singh, Brajendra K; Irvine, Michael A; Stolk, Wilma A; Subramanian, Swaminathan; Hollingsworth, T Déirdre; Michael, Edwin
2017-03-01
Mathematical models of parasite transmission provide powerful tools for assessing the impacts of interventions. Owing to complexity and uncertainty, no single model may capture all features of transmission and elimination dynamics. Multi-model ensemble modelling offers a framework to help overcome biases of single models. We report on the development of a first multi-model ensemble of three lymphatic filariasis (LF) models (EPIFIL, LYMFASIM, and TRANSFIL), and evaluate its predictive performance in comparison with that of the constituents using calibration and validation data from three case study sites, one each from the three major LF endemic regions: Africa, Southeast Asia and Papua New Guinea (PNG). We assessed the performance of the respective models for predicting the outcomes of annual MDA strategies for various baseline scenarios thought to exemplify the current endemic conditions in the three regions. The results show that the constructed multi-model ensemble outperformed the single models when evaluated across all sites. Single models that best fitted calibration data tended to do less well in simulating the out-of-sample, or validation, intervention data. Scenario modelling results demonstrate that the multi-model ensemble is able to compensate for variance between single models in order to produce more plausible predictions of intervention impacts. Our results highlight the value of an ensemble approach to modelling parasite control dynamics. However, its optimal use will require further methodological improvements as well as consideration of the organizational mechanisms required to ensure that modelling results and data are shared effectively between all stakeholders. Copyright © 2017 The Authors. Published by Elsevier B.V. All rights reserved.
Law, Andrew J.; Rivlis, Gil
2014-01-01
Pioneering studies demonstrated that novel degrees of freedom could be controlled individually by directly encoding the firing rate of single motor cortex neurons, without regard to each neuron's role in controlling movement of the native limb. In contrast, recent brain-computer interface work has emphasized decoding outputs from large ensembles that include substantially more neurons than the number of degrees of freedom being controlled. To bridge the gap between direct encoding by single neurons and decoding output from large ensembles, we studied monkeys controlling one degree of freedom by comodulating up to four arbitrarily selected motor cortex neurons. Performance typically exceeded random quite early in single sessions and then continued to improve to different degrees in different sessions. We therefore examined factors that might affect performance. Performance improved with larger ensembles. In contrast, other factors that might have reflected preexisting synaptic architecture—such as the similarity of preferred directions—had little if any effect on performance. Patterns of comodulation among ensemble neurons became more consistent across trials as performance improved over single sessions. Compared with the ensemble neurons, other simultaneously recorded neurons showed less modulation. Patterns of voluntarily comodulated firing among small numbers of arbitrarily selected primary motor cortex (M1) neurons thus can be found and improved rapidly, with little constraint based on the normal relationships of the individual neurons to native limb movement. This rapid flexibility in relationships among M1 neurons may in part underlie our ability to learn new movements and improve motor skill. PMID:24920030
Zhang, Cuicui; Liang, Xuefeng; Matsuyama, Takashi
2014-12-08
Multi-camera networks have gained great interest in video-based surveillance systems for security monitoring, access control, etc. Person re-identification is an essential and challenging task in multi-camera networks, which aims to determine if a given individual has already appeared over the camera network. Individual recognition often uses faces as a trial and requires a large number of samples during the training phrase. This is difficult to fulfill due to the limitation of the camera hardware system and the unconstrained image capturing conditions. Conventional face recognition algorithms often encounter the "small sample size" (SSS) problem arising from the small number of training samples compared to the high dimensionality of the sample space. To overcome this problem, interest in the combination of multiple base classifiers has sparked research efforts in ensemble methods. However, existing ensemble methods still open two questions: (1) how to define diverse base classifiers from the small data; (2) how to avoid the diversity/accuracy dilemma occurring during ensemble. To address these problems, this paper proposes a novel generic learning-based ensemble framework, which augments the small data by generating new samples based on a generic distribution and introduces a tailored 0-1 knapsack algorithm to alleviate the diversity/accuracy dilemma. More diverse base classifiers can be generated from the expanded face space, and more appropriate base classifiers are selected for ensemble. Extensive experimental results on four benchmarks demonstrate the higher ability of our system to cope with the SSS problem compared to the state-of-the-art system.
Zhang, Cuicui; Liang, Xuefeng; Matsuyama, Takashi
2014-01-01
Multi-camera networks have gained great interest in video-based surveillance systems for security monitoring, access control, etc. Person re-identification is an essential and challenging task in multi-camera networks, which aims to determine if a given individual has already appeared over the camera network. Individual recognition often uses faces as a trial and requires a large number of samples during the training phrase. This is difficult to fulfill due to the limitation of the camera hardware system and the unconstrained image capturing conditions. Conventional face recognition algorithms often encounter the “small sample size” (SSS) problem arising from the small number of training samples compared to the high dimensionality of the sample space. To overcome this problem, interest in the combination of multiple base classifiers has sparked research efforts in ensemble methods. However, existing ensemble methods still open two questions: (1) how to define diverse base classifiers from the small data; (2) how to avoid the diversity/accuracy dilemma occurring during ensemble. To address these problems, this paper proposes a novel generic learning-based ensemble framework, which augments the small data by generating new samples based on a generic distribution and introduces a tailored 0–1 knapsack algorithm to alleviate the diversity/accuracy dilemma. More diverse base classifiers can be generated from the expanded face space, and more appropriate base classifiers are selected for ensemble. Extensive experimental results on four benchmarks demonstrate the higher ability of our system to cope with the SSS problem compared to the state-of-the-art system. PMID:25494350
NASA Astrophysics Data System (ADS)
Wu, Xiongwu; Brooks, Bernard R.
2011-11-01
The self-guided Langevin dynamics (SGLD) is a method to accelerate conformational searching. This method is unique in the way that it selectively enhances and suppresses molecular motions based on their frequency to accelerate conformational searching without modifying energy surfaces or raising temperatures. It has been applied to studies of many long time scale events, such as protein folding. Recent progress in the understanding of the conformational distribution in SGLD simulations makes SGLD also an accurate method for quantitative studies. The SGLD partition function provides a way to convert the SGLD conformational distribution to the canonical ensemble distribution and to calculate ensemble average properties through reweighting. Based on the SGLD partition function, this work presents a force-momentum-based self-guided Langevin dynamics (SGLDfp) simulation method to directly sample the canonical ensemble. This method includes interaction forces in its guiding force to compensate the perturbation caused by the momentum-based guiding force so that it can approximately sample the canonical ensemble. Using several example systems, we demonstrate that SGLDfp simulations can approximately maintain the canonical ensemble distribution and significantly accelerate conformational searching. With optimal parameters, SGLDfp and SGLD simulations can cross energy barriers of more than 15 kT and 20 kT, respectively, at similar rates for LD simulations to cross energy barriers of 10 kT. The SGLDfp method is size extensive and works well for large systems. For studies where preserving accessible conformational space is critical, such as free energy calculations and protein folding studies, SGLDfp is an efficient approach to search and sample the conformational space.
The Future of Music Education: Continuing the Dialogue about Curricular Reform
ERIC Educational Resources Information Center
Miksza, Peter
2013-01-01
Professional discussion of curricular change and innovation is essential for maintaining and increasing the positive effects that music education can have on schoolchildren. Much recent discourse about curricular change has focused on critiques of the traditional large-ensemble model of music education, technological innovation applied to teaching…
Computer Electromagnetics and Supercomputer Architecture
NASA Technical Reports Server (NTRS)
Cwik, Tom
1993-01-01
The dramatic increase in performance over the last decade for microporcessor computations is compared with that for the supercomputer computations. This performance, the projected performance, and a number of other issues such as cost and the inherent pysical limitations in curent supercomputer technology have naturally led to parallel supercomputers and ensemble of interconnected microprocessors.
Designing Ensemble Based Security Framework for M-Learning System
ERIC Educational Resources Information Center
Mahalingam, Sheila; Abdollah, Mohd Faizal; bin Sahibuddin, Shahrin
2014-01-01
Mobile Learning has a potential to improve efficiency in the education sector and expand educational opportunities to underserved remote area in higher learning institutions. However there are multi challenges in different altitude faced when introducing and implementing m-learning. Despite the evolution of technology changes in education,…
Filling the white space on maps of European runoff trends: estimates from a multi-model ensemble
NASA Astrophysics Data System (ADS)
Stahl, K.; Tallaksen, L. M.; Hannaford, J.; van Lanen, H. A. J.
2012-02-01
An overall appraisal of runoff changes at the European scale has been hindered by "white space" on maps of observed trends due to a paucity of readily-available streamflow data. This study tested whether this white space can be filled using estimates of trends derived from model simulations of European runoff. The simulations stem from an ensemble of eight global hydrological models that were forced with the same climate input for the period 1963-2000. A validation of the derived trends for 293 grid cells across the European domain with observation-based trend estimates, allowed an assessment of the uncertainty of the modelled trends. The models agreed on the predominant continental scale patterns of trends, but disagreed on magnitudes and even on trend directions at the transition between regions with increasing and decreasing runoff trends, in complex terrain with a high spatial variability, and in snow-dominated regimes. Model estimates appeared most reliable in reproducing trends in annual runoff, winter runoff, and 7-day high flow. Modelled trends in runoff during the summer months, spring (for snow influenced regions) and autumn, and trends in summer low flow, were more variable and should be viewed with caution due to higher uncertainty. The ensemble mean overall provided the best representation of the trends in the observations. Maps of trends in annual runoff based on the ensemble mean demonstrated a pronounced continental dipole pattern of positive trends in western and northern Europe and negative trends in southern and parts of Eastern Europe, which has not previously been demonstrated and discussed in comparable detail.
Fuchs, Julian E; Waldner, Birgit J; Huber, Roland G; von Grafenstein, Susanne; Kramer, Christian; Liedl, Klaus R
2015-03-10
Conformational dynamics are central for understanding biomolecular structure and function, since biological macromolecules are inherently flexible at room temperature and in solution. Computational methods are nowadays capable of providing valuable information on the conformational ensembles of biomolecules. However, analysis tools and intuitive metrics that capture dynamic information from in silico generated structural ensembles are limited. In standard work-flows, flexibility in a conformational ensemble is represented through residue-wise root-mean-square fluctuations or B-factors following a global alignment. Consequently, these approaches relying on global alignments discard valuable information on local dynamics. Results inherently depend on global flexibility, residue size, and connectivity. In this study we present a novel approach for capturing positional fluctuations based on multiple local alignments instead of one single global alignment. The method captures local dynamics within a structural ensemble independent of residue type by splitting individual local and global degrees of freedom of protein backbone and side-chains. Dependence on residue type and size in the side-chains is removed via normalization with the B-factors of the isolated residue. As a test case, we demonstrate its application to a molecular dynamics simulation of bovine pancreatic trypsin inhibitor (BPTI) on the millisecond time scale. This allows for illustrating different time scales of backbone and side-chain flexibility. Additionally, we demonstrate the effects of ligand binding on side-chain flexibility of three serine proteases. We expect our new methodology for quantifying local flexibility to be helpful in unraveling local changes in biomolecular dynamics.
Balu, Rajkamal; Knott, Robert; Cowieson, Nathan P.; Elvin, Christopher M.; Hill, Anita J.; Choudhury, Namita R.; Dutta, Naba K.
2015-01-01
Rec1-resilin is the first recombinant resilin-mimetic protein polymer, synthesized from exon-1 of the Drosophila melanogaster gene CG15920 that has demonstrated unusual multi-stimuli responsiveness in aqueous solution. Crosslinked hydrogels of Rec1-resilin have also displayed remarkable mechanical properties including near-perfect rubber-like elasticity. The structural basis of these extraordinary properties is not clearly understood. Here we combine a computational and experimental investigation to examine structural ensembles of Rec1-resilin in aqueous solution. The structure of Rec1-resilin in aqueous solutions is investigated experimentally using circular dichroism (CD) spectroscopy and small angle X-ray scattering (SAXS). Both bench-top and synchrotron SAXS are employed to extract structural data sets of Rec1-resilin and to confirm their validity. Computational approaches have been applied to these experimental data sets in order to extract quantitative information about structural ensembles including radius of gyration, pair-distance distribution function, and the fractal dimension. The present work confirms that Rec1-resilin is an intrinsically disordered protein (IDP) that displays equilibrium structural qualities between those of a structured globular protein and a denatured protein. The ensemble optimization method (EOM) analysis reveals a single conformational population with partial compactness. This work provides new insight into the structural ensembles of Rec1-resilin in solution. PMID:26042819
Exploiting ensemble learning for automatic cataract detection and grading.
Yang, Ji-Jiang; Li, Jianqiang; Shen, Ruifang; Zeng, Yang; He, Jian; Bi, Jing; Li, Yong; Zhang, Qinyan; Peng, Lihui; Wang, Qing
2016-02-01
Cataract is defined as a lenticular opacity presenting usually with poor visual acuity. It is one of the most common causes of visual impairment worldwide. Early diagnosis demands the expertise of trained healthcare professionals, which may present a barrier to early intervention due to underlying costs. To date, studies reported in the literature utilize a single learning model for retinal image classification in grading cataract severity. We present an ensemble learning based approach as a means to improving diagnostic accuracy. Three independent feature sets, i.e., wavelet-, sketch-, and texture-based features, are extracted from each fundus image. For each feature set, two base learning models, i.e., Support Vector Machine and Back Propagation Neural Network, are built. Then, the ensemble methods, majority voting and stacking, are investigated to combine the multiple base learning models for final fundus image classification. Empirical experiments are conducted for cataract detection (two-class task, i.e., cataract or non-cataractous) and cataract grading (four-class task, i.e., non-cataractous, mild, moderate or severe) tasks. The best performance of the ensemble classifier is 93.2% and 84.5% in terms of the correct classification rates for cataract detection and grading tasks, respectively. The results demonstrate that the ensemble classifier outperforms the single learning model significantly, which also illustrates the effectiveness of the proposed approach. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.
Balu, Rajkamal; Knott, Robert; Cowieson, Nathan P; Elvin, Christopher M; Hill, Anita J; Choudhury, Namita R; Dutta, Naba K
2015-06-04
Rec1-resilin is the first recombinant resilin-mimetic protein polymer, synthesized from exon-1 of the Drosophila melanogaster gene CG15920 that has demonstrated unusual multi-stimuli responsiveness in aqueous solution. Crosslinked hydrogels of Rec1-resilin have also displayed remarkable mechanical properties including near-perfect rubber-like elasticity. The structural basis of these extraordinary properties is not clearly understood. Here we combine a computational and experimental investigation to examine structural ensembles of Rec1-resilin in aqueous solution. The structure of Rec1-resilin in aqueous solutions is investigated experimentally using circular dichroism (CD) spectroscopy and small angle X-ray scattering (SAXS). Both bench-top and synchrotron SAXS are employed to extract structural data sets of Rec1-resilin and to confirm their validity. Computational approaches have been applied to these experimental data sets in order to extract quantitative information about structural ensembles including radius of gyration, pair-distance distribution function, and the fractal dimension. The present work confirms that Rec1-resilin is an intrinsically disordered protein (IDP) that displays equilibrium structural qualities between those of a structured globular protein and a denatured protein. The ensemble optimization method (EOM) analysis reveals a single conformational population with partial compactness. This work provides new insight into the structural ensembles of Rec1-resilin in solution.
NASA Astrophysics Data System (ADS)
Wang, Lei; Liu, Zhiwen; Miao, Qiang; Zhang, Xin
2018-06-01
Mode mixing resulting from intermittent signals is an annoying problem associated with the local mean decomposition (LMD) method. Based on noise-assisted approach, ensemble local mean decomposition (ELMD) method alleviates the mode mixing issue of LMD to some degree. However, the product functions (PFs) produced by ELMD often contain considerable residual noise, and thus a relatively large number of ensemble trials are required to eliminate the residual noise. Furthermore, since different realizations of Gaussian white noise are added to the original signal, different trials may generate different number of PFs, making it difficult to take ensemble mean. In this paper, a novel method is proposed called complete ensemble local mean decomposition with adaptive noise (CELMDAN) to solve these two problems. The method adds a particular and adaptive noise at every decomposition stage for each trial. Moreover, a unique residue is obtained after separating each PF, and the obtained residue is used as input for the next stage. Two simulated signals are analyzed to illustrate the advantages of CELMDAN in comparison to ELMD and CEEMDAN. To further demonstrate the efficiency of CELMDAN, the method is applied to diagnose faults for rolling bearings in an experimental case and an engineering case. The diagnosis results indicate that CELMDAN can extract more fault characteristic information with less interference than ELMD.
NASA Astrophysics Data System (ADS)
Balu, Rajkamal; Knott, Robert; Cowieson, Nathan P.; Elvin, Christopher M.; Hill, Anita J.; Choudhury, Namita R.; Dutta, Naba K.
2015-06-01
Rec1-resilin is the first recombinant resilin-mimetic protein polymer, synthesized from exon-1 of the Drosophila melanogaster gene CG15920 that has demonstrated unusual multi-stimuli responsiveness in aqueous solution. Crosslinked hydrogels of Rec1-resilin have also displayed remarkable mechanical properties including near-perfect rubber-like elasticity. The structural basis of these extraordinary properties is not clearly understood. Here we combine a computational and experimental investigation to examine structural ensembles of Rec1-resilin in aqueous solution. The structure of Rec1-resilin in aqueous solutions is investigated experimentally using circular dichroism (CD) spectroscopy and small angle X-ray scattering (SAXS). Both bench-top and synchrotron SAXS are employed to extract structural data sets of Rec1-resilin and to confirm their validity. Computational approaches have been applied to these experimental data sets in order to extract quantitative information about structural ensembles including radius of gyration, pair-distance distribution function, and the fractal dimension. The present work confirms that Rec1-resilin is an intrinsically disordered protein (IDP) that displays equilibrium structural qualities between those of a structured globular protein and a denatured protein. The ensemble optimization method (EOM) analysis reveals a single conformational population with partial compactness. This work provides new insight into the structural ensembles of Rec1-resilin in solution.
Coherence rephasing combined with spin-wave storage using chirped control pulses
NASA Astrophysics Data System (ADS)
Demeter, Gabor
2014-06-01
Photon-echo based optical quantum memory schemes often employ intermediate steps to transform optical coherences to spin coherences for longer storage times. We analyze a scheme that uses three identical chirped control pulses for coherence rephasing in an inhomogeneously broadened ensemble of three-level Λ systems. The pulses induce a cyclic permutation of the atomic populations in the adiabatic regime. Optical coherences created by a signal pulse are stored as spin coherences at an intermediate time interval, and are rephased for echo emission when the ensemble is returned to the initial state. Echo emission during a possible partial rephasing when the medium is inverted can be suppressed with an appropriate choice of control pulse wave vectors. We demonstrate that the scheme works in an optically dense ensemble, despite control pulse distortions during propagation. It integrates conveniently the spin-wave storage step into memory schemes based on a second rephasing of the atomic coherences.
Impact of Damping Uncertainty on SEA Model Response Variance
NASA Technical Reports Server (NTRS)
Schiller, Noah; Cabell, Randolph; Grosveld, Ferdinand
2010-01-01
Statistical Energy Analysis (SEA) is commonly used to predict high-frequency vibroacoustic levels. This statistical approach provides the mean response over an ensemble of random subsystems that share the same gross system properties such as density, size, and damping. Recently, techniques have been developed to predict the ensemble variance as well as the mean response. However these techniques do not account for uncertainties in the system properties. In the present paper uncertainty in the damping loss factor is propagated through SEA to obtain more realistic prediction bounds that account for both ensemble and damping variance. The analysis is performed on a floor-equipped cylindrical test article that resembles an aircraft fuselage. Realistic bounds on the damping loss factor are determined from measurements acquired on the sidewall of the test article. The analysis demonstrates that uncertainties in damping have the potential to significantly impact the mean and variance of the predicted response.
Scientific assessment of accuracy, skill and reliability of ocean probabilistic forecast products.
NASA Astrophysics Data System (ADS)
Wei, M.; Rowley, C. D.; Barron, C. N.; Hogan, P. J.
2016-02-01
As ocean operational centers are increasingly adopting and generating probabilistic forecast products for their customers with valuable forecast uncertainties, how to assess and measure these complicated probabilistic forecast products objectively is challenging. The first challenge is how to deal with the huge amount of the data from the ensemble forecasts. The second one is how to describe the scientific quality of probabilistic products. In fact, probabilistic forecast accuracy, skills, reliability, resolutions are different attributes of a forecast system. We briefly introduce some of the fundamental metrics such as the Reliability Diagram, Reliability, Resolution, Brier Score (BS), Brier Skill Score (BSS), Ranked Probability Score (RPS), Ranked Probability Skill Score (RPSS), Continuous Ranked Probability Score (CRPS), and Continuous Ranked Probability Skill Score (CRPSS). The values and significance of these metrics are demonstrated for the forecasts from the US Navy's regional ensemble system with different ensemble members. The advantages and differences of these metrics are studied and clarified.
Nanofocusing with aberration-corrected rotationally parabolic refractive X-ray lenses
Seiboth, Frank; Wittwer, Felix; Scholz, Maria; ...
2018-01-01
Wavefront errors of rotationally parabolic refractive X-ray lenses made of beryllium (Be CRLs) have been recovered for various lens sets and X-ray beam configurations. Due to manufacturing via an embossing process, aberrations of individual lenses within the investigated ensemble are very similar. By deriving a mean single-lens deformation for the ensemble, aberrations of any arbitrary lens stack can be predicted from the ensemble with σ¯ = 0.034λ. Using these findings the expected focusing performance of current Be CRLs are modeled for relevant X-ray energies and bandwidths and it is shown that a correction of aberrations can be realised without priormore » lens characterization but simply based on the derived lens deformation. As a result, the performance of aberration-corrected Be CRLs is discussed and the applicability of aberration-correction demonstrated over wide X-ray energy ranges.« less
Fast adaptive flat-histogram ensemble to enhance the sampling in large systems
NASA Astrophysics Data System (ADS)
Xu, Shun; Zhou, Xin; Jiang, Yi; Wang, YanTing
2015-09-01
An efficient novel algorithm was developed to estimate the Density of States (DOS) for large systems by calculating the ensemble means of an extensive physical variable, such as the potential energy, U, in generalized canonical ensembles to interpolate the interior reverse temperature curve , where S( U) is the logarithm of the DOS. This curve is computed with different accuracies in different energy regions to capture the dependence of the reverse temperature on U without setting prior grid in the U space. By combining with a U-compression transformation, we decrease the computational complexity from O( N 3/2) in the normal Wang Landau type method to O( N 1/2) in the current algorithm, as the degrees of freedom of system N. The efficiency of the algorithm is demonstrated by applying to Lennard Jones fluids with various N, along with its ability to find different macroscopic states, including metastable states.
Zheng, Lu; Ho, Leon Yoon; Khan, Saif A
2016-10-26
The ability to form transient, self-assembling solid networks that 'cocoon' emulsion droplets on-demand allows new possibilities in the rapidly expanding area of microfluidic droplet-based materials science. In this communication, we demonstrate the spontaneous formation of extended colloidal networks that encase large microfluidic droplet ensembles, thus completely arresting droplet motion and effectively isolating each droplet from others in the ensemble. To do this, we employ molecular inclusion complexes of β-cyclodextrin, which spontaneously form and assemble into colloidal solids at the droplet interface and beyond, via the outward diffusion of a guest molecule (dichloromethane) from the droplets. We illustrate the advantage of such transient network-based droplet stabilization in the area of pharmaceutical crystallization, where we are able to fabricate monodisperse spherical crystalline microgranules of 5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile (ROY), a model hydrophobic drug, with a dramatic enhancement of particle properties compared to conventional methods.
Wan, Shibiao; Mak, Man-Wai; Kung, Sun-Yuan
2016-12-02
In the postgenomic era, the number of unreviewed protein sequences is remarkably larger and grows tremendously faster than that of reviewed ones. However, existing methods for protein subchloroplast localization often ignore the information from these unlabeled proteins. This paper proposes a multi-label predictor based on ensemble linear neighborhood propagation (LNP), namely, LNP-Chlo, which leverages hybrid sequence-based feature information from both labeled and unlabeled proteins for predicting localization of both single- and multi-label chloroplast proteins. Experimental results on a stringent benchmark dataset and a novel independent dataset suggest that LNP-Chlo performs at least 6% (absolute) better than state-of-the-art predictors. This paper also demonstrates that ensemble LNP significantly outperforms LNP based on individual features. For readers' convenience, the online Web server LNP-Chlo is freely available at http://bioinfo.eie.polyu.edu.hk/LNPChloServer/ .
Dols, W. Stuart; Persily, Andrew K.; Morrow, Jayne B.; Matzke, Brett D.; Sego, Landon H.; Nuffer, Lisa L.; Pulsipher, Brent A.
2010-01-01
In an effort to validate and demonstrate response and recovery sampling approaches and technologies, the U.S. Department of Homeland Security (DHS), along with several other agencies, have simulated a biothreat agent release within a facility at Idaho National Laboratory (INL) on two separate occasions in the fall of 2007 and the fall of 2008. Because these events constitute only two realizations of many possible scenarios, increased understanding of sampling strategies can be obtained by virtually examining a wide variety of release and dispersion scenarios using computer simulations. This research effort demonstrates the use of two software tools, CONTAM, developed by the National Institute of Standards and Technology (NIST), and Visual Sample Plan (VSP), developed by Pacific Northwest National Laboratory (PNNL). The CONTAM modeling software was used to virtually contaminate a model of the INL test building under various release and dissemination scenarios as well as a range of building design and operation parameters. The results of these CONTAM simulations were then used to investigate the relevance and performance of various sampling strategies using VSP. One of the fundamental outcomes of this project was the demonstration of how CONTAM and VSP can be used together to effectively develop sampling plans to support the various stages of response to an airborne chemical, biological, radiological, or nuclear event. Following such an event (or prior to an event), incident details and the conceptual site model could be used to create an ensemble of CONTAM simulations which model contaminant dispersion within a building. These predictions could then be used to identify priority area zones within the building and then sampling designs and strategies could be developed based on those zones. PMID:27134782
Dols, W Stuart; Persily, Andrew K; Morrow, Jayne B; Matzke, Brett D; Sego, Landon H; Nuffer, Lisa L; Pulsipher, Brent A
2010-01-01
In an effort to validate and demonstrate response and recovery sampling approaches and technologies, the U.S. Department of Homeland Security (DHS), along with several other agencies, have simulated a biothreat agent release within a facility at Idaho National Laboratory (INL) on two separate occasions in the fall of 2007 and the fall of 2008. Because these events constitute only two realizations of many possible scenarios, increased understanding of sampling strategies can be obtained by virtually examining a wide variety of release and dispersion scenarios using computer simulations. This research effort demonstrates the use of two software tools, CONTAM, developed by the National Institute of Standards and Technology (NIST), and Visual Sample Plan (VSP), developed by Pacific Northwest National Laboratory (PNNL). The CONTAM modeling software was used to virtually contaminate a model of the INL test building under various release and dissemination scenarios as well as a range of building design and operation parameters. The results of these CONTAM simulations were then used to investigate the relevance and performance of various sampling strategies using VSP. One of the fundamental outcomes of this project was the demonstration of how CONTAM and VSP can be used together to effectively develop sampling plans to support the various stages of response to an airborne chemical, biological, radiological, or nuclear event. Following such an event (or prior to an event), incident details and the conceptual site model could be used to create an ensemble of CONTAM simulations which model contaminant dispersion within a building. These predictions could then be used to identify priority area zones within the building and then sampling designs and strategies could be developed based on those zones.
Verification of Meteorological and Oceanographic Ensemble Forecasts in the U.S. Navy
NASA Astrophysics Data System (ADS)
Klotz, S.; Hansen, J.; Pauley, P.; Sestak, M.; Wittmann, P.; Skupniewicz, C.; Nelson, G.
2013-12-01
The Navy Ensemble Forecast Verification System (NEFVS) has been promoted recently to operational status at the U.S. Navy's Fleet Numerical Meteorology and Oceanography Center (FNMOC). NEFVS processes FNMOC and National Centers for Environmental Prediction (NCEP) meteorological and ocean wave ensemble forecasts, gridded forecast analyses, and innovation (observational) data output by FNMOC's data assimilation system. The NEFVS framework consists of statistical analysis routines, a variety of pre- and post-processing scripts to manage data and plot verification metrics, and a master script to control application workflow. NEFVS computes metrics that include forecast bias, mean-squared error, conditional error, conditional rank probability score, and Brier score. The system also generates reliability and Receiver Operating Characteristic diagrams. In this presentation we describe the operational framework of NEFVS and show examples of verification products computed from ensemble forecasts, meteorological observations, and forecast analyses. The construction and deployment of NEFVS addresses important operational and scientific requirements within Navy Meteorology and Oceanography. These include computational capabilities for assessing the reliability and accuracy of meteorological and ocean wave forecasts in an operational environment, for quantifying effects of changes and potential improvements to the Navy's forecast models, and for comparing the skill of forecasts from different forecast systems. NEFVS also supports the Navy's collaboration with the U.S. Air Force, NCEP, and Environment Canada in the North American Ensemble Forecast System (NAEFS) project and with the Air Force and the National Oceanic and Atmospheric Administration (NOAA) in the National Unified Operational Prediction Capability (NUOPC) program. This program is tasked with eliminating unnecessary duplication within the three agencies, accelerating the transition of new technology, such as multi-model ensemble forecasting, to U.S. Department of Defense use, and creating a superior U.S. global meteorological and oceanographic prediction capability. Forecast verification is an important component of NAEFS and NUOPC. Distribution Statement A: Approved for Public Release; distribution is unlimited
Verification of Meteorological and Oceanographic Ensemble Forecasts in the U.S. Navy
NASA Astrophysics Data System (ADS)
Klotz, S. P.; Hansen, J.; Pauley, P.; Sestak, M.; Wittmann, P.; Skupniewicz, C.; Nelson, G.
2012-12-01
The Navy Ensemble Forecast Verification System (NEFVS) has been promoted recently to operational status at the U.S. Navy's Fleet Numerical Meteorology and Oceanography Center (FNMOC). NEFVS processes FNMOC and National Centers for Environmental Prediction (NCEP) meteorological and ocean wave ensemble forecasts, gridded forecast analyses, and innovation (observational) data output by FNMOC's data assimilation system. The NEFVS framework consists of statistical analysis routines, a variety of pre- and post-processing scripts to manage data and plot verification metrics, and a master script to control application workflow. NEFVS computes metrics that include forecast bias, mean-squared error, conditional error, conditional rank probability score, and Brier score. The system also generates reliability and Receiver Operating Characteristic diagrams. In this presentation we describe the operational framework of NEFVS and show examples of verification products computed from ensemble forecasts, meteorological observations, and forecast analyses. The construction and deployment of NEFVS addresses important operational and scientific requirements within Navy Meteorology and Oceanography (METOC). These include computational capabilities for assessing the reliability and accuracy of meteorological and ocean wave forecasts in an operational environment, for quantifying effects of changes and potential improvements to the Navy's forecast models, and for comparing the skill of forecasts from different forecast systems. NEFVS also supports the Navy's collaboration with the U.S. Air Force, NCEP, and Environment Canada in the North American Ensemble Forecast System (NAEFS) project and with the Air Force and the National Oceanic and Atmospheric Administration (NOAA) in the National Unified Operational Prediction Capability (NUOPC) program. This program is tasked with eliminating unnecessary duplication within the three agencies, accelerating the transition of new technology, such as multi-model ensemble forecasting, to U.S. Department of Defense use, and creating a superior U.S. global meteorological and oceanographic prediction capability. Forecast verification is an important component of NAEFS and NUOPC.
Asfaw, A. T.; Sigillito, A. J.; Tyryshkin, A. M.; ...
2017-07-17
In this work, we demonstrate the use of frequency-tunable superconducting NbTiN coplanar waveguide microresonators for multi-frequency pulsed electron spin resonance (ESR) experiments. By applying a bias current to the center pin, the resonance frequency (~7.6 GHz) can be continuously tuned by as much as 95 MHz in 270 ns without a change in the quality factor of 3000 at 2 K. We demonstrate the ESR performance of our resonators by measuring donor spin ensembles in silicon and show that adiabatic pulses can be used to overcome magnetic field inhomogeneities and microwave power limitations due to the applied bias current. Wemore » take advantage of the rapid tunability of these resonators to manipulate both phosphorus and arsenic spins in a single pulse sequence, demonstrating pulsed double electron-electron resonance. Our NbTiN resonator design is useful for multi-frequency pulsed ESR and should also have applications in experiments where spin ensembles are used as quantum memories.« less
NASA Astrophysics Data System (ADS)
Asfaw, A. T.; Sigillito, A. J.; Tyryshkin, A. M.; Schenkel, T.; Lyon, S. A.
2017-07-01
In this work, we demonstrate the use of frequency-tunable superconducting NbTiN coplanar waveguide microresonators for multi-frequency pulsed electron spin resonance (ESR) experiments. By applying a bias current to the center pin, the resonance frequency (˜7.6 GHz) can be continuously tuned by as much as 95 MHz in 270 ns without a change in the quality factor of 3000 at 2 K. We demonstrate the ESR performance of our resonators by measuring donor spin ensembles in silicon and show that adiabatic pulses can be used to overcome magnetic field inhomogeneities and microwave power limitations due to the applied bias current. We take advantage of the rapid tunability of these resonators to manipulate both phosphorus and arsenic spins in a single pulse sequence, demonstrating pulsed double electron-electron resonance. Our NbTiN resonator design is useful for multi-frequency pulsed ESR and should also have applications in experiments where spin ensembles are used as quantum memories.
Reinforce: An Ensemble Approach for Inferring PPI Network from AP-MS Data.
Tian, Bo; Duan, Qiong; Zhao, Can; Teng, Ben; He, Zengyou
2017-05-17
Affinity Purification-Mass Spectrometry (AP-MS) is one of the most important technologies for constructing protein-protein interaction (PPI) networks. In this paper, we propose an ensemble method, Reinforce, for inferring PPI network from AP-MS data set. The new algorithm named Reinforce is based on rank aggregation and false discovery rate control. Under the null hypothesis that the interaction scores from different scoring methods are randomly generated, Reinforce follows three steps to integrate multiple ranking results from different algorithms or different data sets. The experimental results show that Reinforce can get more stable and accurate inference results than existing algorithms. The source codes of Reinforce and data sets used in the experiments are available at: https://sourceforge.net/projects/reinforce/.
Facial Expression Recognition using Multiclass Ensemble Least-Square Support Vector Machine
NASA Astrophysics Data System (ADS)
Lawi, Armin; Sya'Rani Machrizzandi, M.
2018-03-01
Facial expression is one of behavior characteristics of human-being. The use of biometrics technology system with facial expression characteristics makes it possible to recognize a person’s mood or emotion. The basic components of facial expression analysis system are face detection, face image extraction, facial classification and facial expressions recognition. This paper uses Principal Component Analysis (PCA) algorithm to extract facial features with expression parameters, i.e., happy, sad, neutral, angry, fear, and disgusted. Then Multiclass Ensemble Least-Squares Support Vector Machine (MELS-SVM) is used for the classification process of facial expression. The result of MELS-SVM model obtained from our 185 different expression images of 10 persons showed high accuracy level of 99.998% using RBF kernel.
A self-consistent high- and low-frequency scattering model for cirrus
NASA Astrophysics Data System (ADS)
Baran, Anthony J.; Cotton, Richard; Havemann, Stephan; C.-Labonnote, Laurent; Marenco, Franco
2013-05-01
This paper demonstrates that an ensemble model of cirrus ice crystals that follows observed mass-dimensional power laws can predict the scattering properties of cirrus across the electromagnetic spectrum, without the need for tailor made scattering models for particular regions of the spectrum. The ensemble model predicts a mass-dimensional power law of the following form, mass ∝ D2 (where D is the maximum dimension of the ice crystal). This same mass-dimensional power law is applied across the spectrum to predict the particle size distribution (PSD) using a moment estimation parameterization of the PSD. The PSD parameterization predicts the original PSD, using in-situ estimates (bulk measurements) of the ice water content (IWC) and measurements of the in-cloud temperature; the measurements were obtained from a number of mid-latitude cirrus cases, which occurred over the U.K. during the winter and spring of 2010. It is demonstrated that the ensemble model predicts lidar backscatter estimates, at 0.355 μm, of the volume extinction coefficient and total solar optical depth to within current experimental uncertainties, hyperspectral brightness temperature measurements of the terrestrial region (800 cm-1 - 1200 cm-1) to generally well within ±1 K in the window regions, and the 35 GHz radar reflectivity to within ±2 dBZ. Therefore, for simulation of satellite radiances within general circulation models, and retrieval of cirrus properties, scattering models, which are demonstrated to be physically consistent across the electromagnetic spectrum, should be preferred.
Weighted projected networks: mapping hypergraphs to networks.
López, Eduardo
2013-05-01
Many natural, technological, and social systems incorporate multiway interactions, yet are characterized and measured on the basis of weighted pairwise interactions. In this article, I propose a family of models in which pairwise interactions originate from multiway interactions, by starting from ensembles of hypergraphs and applying projections that generate ensembles of weighted projected networks. I calculate analytically the statistical properties of weighted projected networks, and suggest ways these could be used beyond theoretical studies. Weighted projected networks typically exhibit weight disorder along links even for very simple generating hypergraph ensembles. Also, as the size of a hypergraph changes, a signature of multiway interaction emerges on the link weights of weighted projected networks that distinguishes them from fundamentally weighted pairwise networks. This signature could be used to search for hidden multiway interactions in weighted network data. I find the percolation threshold and size of the largest component for hypergraphs of arbitrary uniform rank, translate the results into projected networks, and show that the transition is second order. This general approach to network formation has the potential to shed new light on our understanding of weighted networks.
NASA Astrophysics Data System (ADS)
Javed, Kamran; Gouriveau, Rafael; Zerhouni, Noureddine; Hissel, Daniel
2016-08-01
Proton Exchange Membrane Fuel Cell (PEMFC) is considered the most versatile among available fuel cell technologies, which qualify for diverse applications. However, the large-scale industrial deployment of PEMFCs is limited due to their short life span and high exploitation costs. Therefore, ensuring fuel cell service for a long duration is of vital importance, which has led to Prognostics and Health Management of fuel cells. More precisely, prognostics of PEMFC is major area of focus nowadays, which aims at identifying degradation of PEMFC stack at early stages and estimating its Remaining Useful Life (RUL) for life cycle management. This paper presents a data-driven approach for prognostics of PEMFC stack using an ensemble of constraint based Summation Wavelet- Extreme Learning Machine (SW-ELM) models. This development aim at improving the robustness and applicability of prognostics of PEMFC for an online application, with limited learning data. The proposed approach is applied to real data from two different PEMFC stacks and compared with ensembles of well known connectionist algorithms. The results comparison on long-term prognostics of both PEMFC stacks validates our proposition.
Magnetophoretic circuits for digital control of single particles and cells
NASA Astrophysics Data System (ADS)
Lim, Byeonghwa; Reddy, Venu; Hu, Xinghao; Kim, Kunwoo; Jadhav, Mital; Abedini-Nassab, Roozbeh; Noh, Young-Woock; Lim, Yong Taik; Yellen, Benjamin B.; Kim, Cheolgi
2014-05-01
The ability to manipulate small fluid droplets, colloidal particles and single cells with the precision and parallelization of modern-day computer hardware has profound applications for biochemical detection, gene sequencing, chemical synthesis and highly parallel analysis of single cells. Drawing inspiration from general circuit theory and magnetic bubble technology, here we demonstrate a class of integrated circuits for executing sequential and parallel, timed operations on an ensemble of single particles and cells. The integrated circuits are constructed from lithographically defined, overlaid patterns of magnetic film and current lines. The magnetic patterns passively control particles similar to electrical conductors, diodes and capacitors. The current lines actively switch particles between different tracks similar to gated electrical transistors. When combined into arrays and driven by a rotating magnetic field clock, these integrated circuits have general multiplexing properties and enable the precise control of magnetizable objects.
Modeling Bloch oscillations in nanoscale Josephson junctions.
Vora, Heli; Kautz, R L; Nam, S W; Aumentado, J
2017-08-01
Bloch oscillations in nanoscale Josephson junctions with a Coulomb charging energy comparable to the Josephson coupling energy are explored within the context of a model previously considered by Geigenmüller and Schön that includes Zener tunneling and treats quasiparticle tunneling as an explicit shot-noise process. The dynamics of the junction quasicharge are investigated numerically using both Monte Carlo and ensemble approaches to calculate voltage-current characteristics in the presence of microwaves. We examine in detail the origin of harmonic and subharmonic Bloch steps at dc biases I = ( n/m )2 ef induced by microwaves of frequency f and consider the optimum parameters for the observation of harmonic ( m = 1) steps. We also demonstrate that the GS model allows a detailed semiquantitative fit to experimental voltage-current characteristics previously obtained at the Chalmers University of Technology, confirming and strengthening the interpretation of the observed microwave-induced steps in terms of Bloch oscillations.
Modeling Bloch oscillations in nanoscale Josephson junctions
Vora, Heli; Kautz, R. L.; Nam, S. W.; Aumentado, J.
2018-01-01
Bloch oscillations in nanoscale Josephson junctions with a Coulomb charging energy comparable to the Josephson coupling energy are explored within the context of a model previously considered by Geigenmüller and Schön that includes Zener tunneling and treats quasiparticle tunneling as an explicit shot-noise process. The dynamics of the junction quasicharge are investigated numerically using both Monte Carlo and ensemble approaches to calculate voltage-current characteristics in the presence of microwaves. We examine in detail the origin of harmonic and subharmonic Bloch steps at dc biases I = (n/m)2ef induced by microwaves of frequency f and consider the optimum parameters for the observation of harmonic (m = 1) steps. We also demonstrate that the GS model allows a detailed semiquantitative fit to experimental voltage-current characteristics previously obtained at the Chalmers University of Technology, confirming and strengthening the interpretation of the observed microwave-induced steps in terms of Bloch oscillations. PMID:29577106
Critical mingling and universal correlations in model binary active liquids
NASA Astrophysics Data System (ADS)
Bain, Nicolas; Bartolo, Denis
2017-06-01
Ensembles of driven or motile bodies moving along opposite directions are generically reported to self-organize into strongly anisotropic lanes. Here, building on a minimal model of self-propelled bodies targeting opposite directions, we first evidence a critical phase transition between a mingled state and a phase-separated lane state specific to active particles. We then demonstrate that the mingled state displays algebraic structural correlations also found in driven binary mixtures. Finally, constructing a hydrodynamic theory, we single out the physical mechanisms responsible for these universal long-range correlations typical of ensembles of oppositely moving bodies.
The ensemble switch method for computing interfacial tensions
DOE Office of Scientific and Technical Information (OSTI.GOV)
Schmitz, Fabian; Virnau, Peter
2015-04-14
We present a systematic thermodynamic integration approach to compute interfacial tensions for solid-liquid interfaces, which is based on the ensemble switch method. Applying Monte Carlo simulations and finite-size scaling techniques, we obtain results for hard spheres, which are in agreement with previous computations. The case of solid-liquid interfaces in a variant of the effective Asakura-Oosawa model and of liquid-vapor interfaces in the Lennard-Jones model are discussed as well. We demonstrate that a thorough finite-size analysis of the simulation data is required to obtain precise results for the interfacial tension.
NASA Astrophysics Data System (ADS)
Rybalova, Elena; Semenova, Nadezhda; Strelkova, Galina; Anishchenko, Vadim
2017-06-01
We study the transition from coherence (complete synchronization) to incoherence (spatio-temporal chaos) in ensembles of nonlocally coupled chaotic maps with nonhyperbolic and hyperbolic attractors. As basic models of a partial element we use the Henon map and the Lozi map. We show that the transition to incoherence in a ring of coupled Henon maps occurs through the appearance of phase and amplitude chimera states. An ensemble of coupled Lozi maps demonstrates the coherence-incoherence transition via solitary states and no chimera states are observed in this case.
Entanglement of a class of non-Gaussian states in disordered harmonic oscillator systems
NASA Astrophysics Data System (ADS)
Abdul-Rahman, Houssam
2018-03-01
For disordered harmonic oscillator systems over the d-dimensional lattice, we consider the problem of finding the bipartite entanglement of the uniform ensemble of the energy eigenstates associated with a particular number of modes. Such an ensemble defines a class of mixed, non-Gaussian entangled states that are labeled, by the energy of the system, in an increasing order. We develop a novel approach to find the exact logarithmic negativity of this class of states. We also prove entanglement bounds and demonstrate that the low energy states follow an area law.
NASA Astrophysics Data System (ADS)
Alvarez-Garreton, C.; Ryu, D.; Western, A. W.; Su, C.-H.; Crow, W. T.; Robertson, D. E.; Leahy, C.
2014-09-01
Assimilation of remotely sensed soil moisture data (SM-DA) to correct soil water stores of rainfall-runoff models has shown skill in improving streamflow prediction. In the case of large and sparsely monitored catchments, SM-DA is a particularly attractive tool. Within this context, we assimilate active and passive satellite soil moisture (SSM) retrievals using an ensemble Kalman filter to improve operational flood prediction within a large semi-arid catchment in Australia (>40 000 km2). We assess the importance of accounting for channel routing and the spatial distribution of forcing data by applying SM-DA to a lumped and a semi-distributed scheme of the probability distributed model (PDM). Our scheme also accounts for model error representation and seasonal biases and errors in the satellite data. Before assimilation, the semi-distributed model provided more accurate streamflow prediction (Nash-Sutcliffe efficiency, NS = 0.77) than the lumped model (NS = 0.67) at the catchment outlet. However, this did not ensure good performance at the "ungauged" inner catchments. After SM-DA, the streamflow ensemble prediction at the outlet was improved in both the lumped and the semi-distributed schemes: the root mean square error of the ensemble was reduced by 27 and 31%, respectively; the NS of the ensemble mean increased by 7 and 38%, respectively; the false alarm ratio was reduced by 15 and 25%, respectively; and the ensemble prediction spread was reduced while its reliability was maintained. Our findings imply that even when rainfall is the main driver of flooding in semi-arid catchments, adequately processed SSM can be used to reduce errors in the model soil moisture, which in turn provides better streamflow ensemble prediction. We demonstrate that SM-DA efficacy is enhanced when the spatial distribution in forcing data and routing processes are accounted for. At ungauged locations, SM-DA is effective at improving streamflow ensemble prediction, however, the updated prediction is still poor since SM-DA does not address systematic errors in the model.
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
NASA Astrophysics Data System (ADS)
Bao, Hongjun; Zhao, Linna
2012-02-01
A coupled atmospheric-hydrologic-hydraulic ensemble flood forecasting model, driven by The Observing System Research and Predictability Experiment (THORPEX) Interactive Grand Global Ensemble (TIGGE) data, has been developed for flood forecasting over the Huaihe River. The incorporation of numerical weather prediction (NWP) information into flood forecasting systems may increase forecast lead time from a few hours to a few days. A single NWP model forecast from a single forecast center, however, is insufficient as it involves considerable non-predictable uncertainties and leads to a high number of false alarms. The availability of global ensemble NWP systems through TIGGE offers a new opportunity for flood forecast. The Xinanjiang model used for hydrological rainfall-runoff modeling and the one-dimensional unsteady flow model applied to channel flood routing are coupled with ensemble weather predictions based on the TIGGE data from the Canadian Meteorological Centre (CMC), the European Centre for Medium-Range Weather Forecasts (ECMWF), the UK Met Office (UKMO), and the US National Centers for Environmental Prediction (NCEP). The developed ensemble flood forecasting model is applied to flood forecasting of the 2007 flood season as a test case. The test case is chosen over the upper reaches of the Huaihe River above Lutaizi station with flood diversion and retarding areas. The input flood discharge hydrograph from the main channel to the flood diversion area is estimated with the fixed split ratio of the main channel discharge. The flood flow inside the flood retarding area is calculated as a reservoir with the water balance method. The Muskingum method is used for flood routing in the flood diversion area. A probabilistic discharge and flood inundation forecast is provided as the end product to study the potential benefits of using the TIGGE ensemble forecasts. The results demonstrate satisfactory flood forecasting with clear signals of probability of floods up to a few days in advance, and show that TIGGE ensemble forecast data are a promising tool for forecasting of flood inundation, comparable with that driven by raingauge observations.
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
NASA Astrophysics Data System (ADS)
Tsai, Hsiao-Chung; Elsberry, Russell L.
2013-12-01
SummaryAn opportunity exists to extend support to the decision-making processes of water resource management and hydrological operations by providing extended-range tropical cyclone (TC) formation and track forecasts in the western North Pacific from the 51-member ECMWF 32-day ensemble. A new objective verification technique demonstrates that the ECMWF ensemble can predict most of the formations and tracks of the TCs during July 2009 to December 2010, even for most of the tropical depressions. Due to the relatively large number of false-alarm TCs in the ECMWF ensemble forecasts that would cause problems for support of hydrological operations, characteristics of these false alarms are discussed. Special attention is given to the ability of the ECMWF ensemble to predict periods of no-TCs in the Taiwan area, since water resource management decisions also depend on the absence of typhoon-related rainfall. A three-tier approach is proposed to provide support for hydrological operations via extended-range forecasts twice weekly on the 30-day timescale, twice-daily on the 15-day timescale, and up to four times a day with a consensus of high-resolution deterministic models.
Zhou, Shenghan; Qian, Silin; Chang, Wenbing; Xiao, Yiyong; Cheng, Yang
2018-06-14
Timely and accurate state detection and fault diagnosis of rolling element bearings are very critical to ensuring the reliability of rotating machinery. This paper proposes a novel method of rolling bearing fault diagnosis based on a combination of ensemble empirical mode decomposition (EEMD), weighted permutation entropy (WPE) and an improved support vector machine (SVM) ensemble classifier. A hybrid voting (HV) strategy that combines SVM-based classifiers and cloud similarity measurement (CSM) was employed to improve the classification accuracy. First, the WPE value of the bearing vibration signal was calculated to detect the fault. Secondly, if a bearing fault occurred, the vibration signal was decomposed into a set of intrinsic mode functions (IMFs) by EEMD. The WPE values of the first several IMFs were calculated to form the fault feature vectors. Then, the SVM ensemble classifier was composed of binary SVM and the HV strategy to identify the bearing multi-fault types. Finally, the proposed model was fully evaluated by experiments and comparative studies. The results demonstrate that the proposed method can effectively detect bearing faults and maintain a high accuracy rate of fault recognition when a small number of training samples are available.
Fast Constrained Spectral Clustering and Cluster Ensemble with Random Projection
Liu, Wenfen
2017-01-01
Constrained spectral clustering (CSC) method can greatly improve the clustering accuracy with the incorporation of constraint information into spectral clustering and thus has been paid academic attention widely. In this paper, we propose a fast CSC algorithm via encoding landmark-based graph construction into a new CSC model and applying random sampling to decrease the data size after spectral embedding. Compared with the original model, the new algorithm has the similar results with the increase of its model size asymptotically; compared with the most efficient CSC algorithm known, the new algorithm runs faster and has a wider range of suitable data sets. Meanwhile, a scalable semisupervised cluster ensemble algorithm is also proposed via the combination of our fast CSC algorithm and dimensionality reduction with random projection in the process of spectral ensemble clustering. We demonstrate by presenting theoretical analysis and empirical results that the new cluster ensemble algorithm has advantages in terms of efficiency and effectiveness. Furthermore, the approximate preservation of random projection in clustering accuracy proved in the stage of consensus clustering is also suitable for the weighted k-means clustering and thus gives the theoretical guarantee to this special kind of k-means clustering where each point has its corresponding weight. PMID:29312447
Men, Zhongxian; Yee, Eugene; Lien, Fue-Sang; Yang, Zhiling; Liu, Yongqian
2014-01-01
Short-term wind speed and wind power forecasts (for a 72 h period) are obtained using a nonlinear autoregressive exogenous artificial neural network (ANN) methodology which incorporates either numerical weather prediction or high-resolution computational fluid dynamics wind field information as an exogenous input. An ensemble approach is used to combine the predictions from many candidate ANNs in order to provide improved forecasts for wind speed and power, along with the associated uncertainties in these forecasts. More specifically, the ensemble ANN is used to quantify the uncertainties arising from the network weight initialization and from the unknown structure of the ANN. All members forming the ensemble of neural networks were trained using an efficient particle swarm optimization algorithm. The results of the proposed methodology are validated using wind speed and wind power data obtained from an operational wind farm located in Northern China. The assessment demonstrates that this methodology for wind speed and power forecasting generally provides an improvement in predictive skills when compared to the practice of using an "optimal" weight vector from a single ANN while providing additional information in the form of prediction uncertainty bounds.
Lien, Fue-Sang; Yang, Zhiling; Liu, Yongqian
2014-01-01
Short-term wind speed and wind power forecasts (for a 72 h period) are obtained using a nonlinear autoregressive exogenous artificial neural network (ANN) methodology which incorporates either numerical weather prediction or high-resolution computational fluid dynamics wind field information as an exogenous input. An ensemble approach is used to combine the predictions from many candidate ANNs in order to provide improved forecasts for wind speed and power, along with the associated uncertainties in these forecasts. More specifically, the ensemble ANN is used to quantify the uncertainties arising from the network weight initialization and from the unknown structure of the ANN. All members forming the ensemble of neural networks were trained using an efficient particle swarm optimization algorithm. The results of the proposed methodology are validated using wind speed and wind power data obtained from an operational wind farm located in Northern China. The assessment demonstrates that this methodology for wind speed and power forecasting generally provides an improvement in predictive skills when compared to the practice of using an “optimal” weight vector from a single ANN while providing additional information in the form of prediction uncertainty bounds. PMID:27382627
Ensemble modeling of very small ZnO nanoparticles.
Niederdraenk, Franziska; Seufert, Knud; Stahl, Andreas; Bhalerao-Panajkar, Rohini S; Marathe, Sonali; Kulkarni, Sulabha K; Neder, Reinhard B; Kumpf, Christian
2011-01-14
The detailed structural characterization of nanoparticles is a very important issue since it enables a precise understanding of their electronic, optical and magnetic properties. Here we introduce a new method for modeling the structure of very small particles by means of powder X-ray diffraction. Using thioglycerol-capped ZnO nanoparticles with a diameter of less than 3 nm as an example we demonstrate that our ensemble modeling method is superior to standard XRD methods like, e.g., Rietveld refinement. Besides fundamental properties (size, anisotropic shape and atomic structure) more sophisticated properties like imperfections in the lattice, a size distribution as well as strain and relaxation effects in the particles and-in particular-at their surface (surface relaxation effects) can be obtained. Ensemble properties, i.e., distributions of the particle size and other properties, can also be investigated which makes this method superior to imaging techniques like (high resolution) transmission electron microscopy or atomic force microscopy, in particular for very small nanoparticles. For the particles under study an excellent agreement of calculated and experimental X-ray diffraction patterns could be obtained with an ensemble of anisotropic polyhedral particles of three dominant sizes, wurtzite structure and a significant relaxation of Zn atoms close to the surface.
Girsanov reweighting for path ensembles and Markov state models
NASA Astrophysics Data System (ADS)
Donati, L.; Hartmann, C.; Keller, B. G.
2017-06-01
The sensitivity of molecular dynamics on changes in the potential energy function plays an important role in understanding the dynamics and function of complex molecules. We present a method to obtain path ensemble averages of a perturbed dynamics from a set of paths generated by a reference dynamics. It is based on the concept of path probability measure and the Girsanov theorem, a result from stochastic analysis to estimate a change of measure of a path ensemble. Since Markov state models (MSMs) of the molecular dynamics can be formulated as a combined phase-space and path ensemble average, the method can be extended to reweight MSMs by combining it with a reweighting of the Boltzmann distribution. We demonstrate how to efficiently implement the Girsanov reweighting in a molecular dynamics simulation program by calculating parts of the reweighting factor "on the fly" during the simulation, and we benchmark the method on test systems ranging from a two-dimensional diffusion process and an artificial many-body system to alanine dipeptide and valine dipeptide in implicit and explicit water. The method can be used to study the sensitivity of molecular dynamics on external perturbations as well as to reweight trajectories generated by enhanced sampling schemes to the original dynamics.
Limit order book and its modeling in terms of Gibbs Grand-Canonical Ensemble
NASA Astrophysics Data System (ADS)
Bicci, Alberto
2016-12-01
In the domain of so called Econophysics some attempts have been already made for applying the theory of thermodynamics and statistical mechanics to economics and financial markets. In this paper a similar approach is made from a different perspective, trying to model the limit order book and price formation process of a given stock by the Grand-Canonical Gibbs Ensemble for the bid and ask orders. The application of the Bose-Einstein statistics to this ensemble allows then to derive the distribution of the sell and buy orders as a function of price. As a consequence we can define in a meaningful way expressions for the temperatures of the ensembles of bid orders and of ask orders, which are a function of minimum bid, maximum ask and closure prices of the stock as well as of the exchanged volume of shares. It is demonstrated that the difference between the ask and bid orders temperatures can be related to the VAO (Volume Accumulation Oscillator), an indicator empirically defined in Technical Analysis of stock markets. Furthermore the derived distributions for aggregate bid and ask orders can be subject to well defined validations against real data, giving a falsifiable character to the model.
NASA Astrophysics Data System (ADS)
Sun, Alexander Y.; Morris, Alan P.; Mohanty, Sitakanta
2009-07-01
Estimated parameter distributions in groundwater models may contain significant uncertainties because of data insufficiency. Therefore, adaptive uncertainty reduction strategies are needed to continuously improve model accuracy by fusing new observations. In recent years, various ensemble Kalman filters have been introduced as viable tools for updating high-dimensional model parameters. However, their usefulness is largely limited by the inherent assumption of Gaussian error statistics. Hydraulic conductivity distributions in alluvial aquifers, for example, are usually non-Gaussian as a result of complex depositional and diagenetic processes. In this study, we combine an ensemble Kalman filter with grid-based localization and a Gaussian mixture model (GMM) clustering techniques for updating high-dimensional, multimodal parameter distributions via dynamic data assimilation. We introduce innovative strategies (e.g., block updating and dimension reduction) to effectively reduce the computational costs associated with these modified ensemble Kalman filter schemes. The developed data assimilation schemes are demonstrated numerically for identifying the multimodal heterogeneous hydraulic conductivity distributions in a binary facies alluvial aquifer. Our results show that localization and GMM clustering are very promising techniques for assimilating high-dimensional, multimodal parameter distributions, and they outperform the corresponding global ensemble Kalman filter analysis scheme in all scenarios considered.
Gibbs Ensemble Simulations of the Solvent Swelling of Polymer Films
NASA Astrophysics Data System (ADS)
Gartner, Thomas; Epps, Thomas, III; Jayaraman, Arthi
Solvent vapor annealing (SVA) is a useful technique to tune the morphology of block polymer, polymer blend, and polymer nanocomposite films. Despite SVA's utility, standardized SVA protocols have not been established, partly due to a lack of fundamental knowledge regarding the interplay between the polymer(s), solvent, substrate, and free-surface during solvent annealing and evaporation. An understanding of how to tune polymer film properties in a controllable manner through SVA processes is needed. Herein, the thermodynamic implications of the presence of solvent in the swollen polymer film is explored through two alternative Gibbs ensemble simulation methods that we have developed and extended: Gibbs ensemble molecular dynamics (GEMD) and hybrid Monte Carlo (MC)/molecular dynamics (MD). In this poster, we will describe these simulation methods and demonstrate their application to polystyrene films swollen by toluene and n-hexane. Polymer film swelling experiments, Gibbs ensemble molecular simulations, and polymer reference interaction site model (PRISM) theory are combined to calculate an effective Flory-Huggins χ (χeff) for polymer-solvent mixtures. The effects of solvent chemistry, solvent content, polymer molecular weight, and polymer architecture on χeff are examined, providing a platform to control and understand the thermodynamics of polymer film swelling.
Azami, Hamed; Escudero, Javier
2015-08-01
Breast cancer is one of the most common types of cancer in women all over the world. Early diagnosis of this kind of cancer can significantly increase the chances of long-term survival. Since diagnosis of breast cancer is a complex problem, neural network (NN) approaches have been used as a promising solution. Considering the low speed of the back-propagation (BP) algorithm to train a feed-forward NN, we consider a number of improved NN trainings for the Wisconsin breast cancer dataset: BP with momentum, BP with adaptive learning rate, BP with adaptive learning rate and momentum, Polak-Ribikre conjugate gradient algorithm (CGA), Fletcher-Reeves CGA, Powell-Beale CGA, scaled CGA, resilient BP (RBP), one-step secant and quasi-Newton methods. An NN ensemble, which is a learning paradigm to combine a number of NN outputs, is used to improve the accuracy of the classification task. Results demonstrate that NN ensemble-based classification methods have better performance than NN-based algorithms. The highest overall average accuracy is 97.68% obtained by NN ensemble trained by RBP for 50%-50% training-test evaluation method.
Supermodeling With A Global Atmospheric Model
NASA Astrophysics Data System (ADS)
Wiegerinck, Wim; Burgers, Willem; Selten, Frank
2013-04-01
In weather and climate prediction studies it often turns out to be the case that the multi-model ensemble mean prediction has the best prediction skill scores. One possible explanation is that the major part of the model error is random and is averaged out in the ensemble mean. In the standard multi-model ensemble approach, the models are integrated in time independently and the predicted states are combined a posteriori. Recently an alternative ensemble prediction approach has been proposed in which the models exchange information during the simulation and synchronize on a common solution that is closer to the truth than any of the individual model solutions in the standard multi-model ensemble approach or a weighted average of these. This approach is called the super modeling approach (SUMO). The potential of the SUMO approach has been demonstrated in the context of simple, low-order, chaotic dynamical systems. The information exchange takes the form of linear nudging terms in the dynamical equations that nudge the solution of each model to the solution of all other models in the ensemble. With a suitable choice of the connection strengths the models synchronize on a common solution that is indeed closer to the true system than any of the individual model solutions without nudging. This approach is called connected SUMO. An alternative approach is to integrate a weighted averaged model, weighted SUMO. At each time step all models in the ensemble calculate the tendency, these tendencies are weighted averaged and the state is integrated one time step into the future with this weighted averaged tendency. It was shown that in case the connected SUMO synchronizes perfectly, the connected SUMO follows the weighted averaged trajectory and both approaches yield the same solution. In this study we pioneer both approaches in the context of a global, quasi-geostrophic, three-level atmosphere model that is capable of simulating quite realistically the extra-tropical circulation in the Northern Hemisphere winter.
Riverine Bathymetry Imaging with Indirect Observations
NASA Astrophysics Data System (ADS)
Farthing, M.; Lee, J. H.; Ghorbanidehno, H.; Hesser, T.; Darve, E. F.; Kitanidis, P. K.
2017-12-01
Bathymetry, i.e, depth, imaging in a river is of crucial importance for shipping operations and flood management. With advancements in sensor technology and computational resources, various types of indirect measurements can be used to estimate high-resolution riverbed topography. Especially, the use of surface velocity measurements has been actively investigated recently since they are easy to acquire at a low cost in all river conditions and surface velocities are sensitive to the river depth. In this work, we image riverbed topography using depth-averaged quasi-steady velocity observations related to the topography through the 2D shallow water equations (SWE). The principle component geostatistical approach (PCGA), a fast and scalable variational inverse modeling method powered by low-rank representation of covariance matrix structure, is presented and applied to two "twin" riverine bathymetry identification problems. To compare the efficiency and effectiveness of the proposed method, an ensemble-based approach is also applied to the test problems. Results demonstrate that PCGA is superior to the ensemble-based approach in terms of computational effort and accuracy. Especially, the results obtained from PCGA capture small-scale bathymetry features irrespective of the initial guess through the successive linearization of the forward model. Analysis on the direct survey data of the riverine bathymetry used in one of the test problems shows an efficient, parsimonious choice of the solution basis in PCGA so that the number of the numerical model runs used to achieve the inversion results is close to the minimum number that reconstructs the underlying bathymetry.
Casel, Pierrot; Moreews, François; Lagarrigue, Sandrine; Klopp, Christophe
2009-07-16
Microarray is a powerful technology enabling to monitor tens of thousands of genes in a single experiment. Most microarrays are now using oligo-sets. The design of the oligo-nucleotides is time consuming and error prone. Genome wide microarray oligo-sets are designed using as large a set of transcripts as possible in order to monitor as many genes as possible. Depending on the genome sequencing state and on the assembly state the knowledge of the existing transcripts can be very different. This knowledge evolves with the different genome builds and gene builds. Once the design is done the microarrays are often used for several years. The biologists working in EADGENE expressed the need of up-to-dated annotation files for the oligo-sets they share including information about the orthologous genes of model species, the Gene Ontology, the corresponding pathways and the chromosomal location. The results of SigReannot on a chicken micro-array used in the EADGENE project compared to the initial annotations show that 23% of the oligo-nucleotide gene annotations were not confirmed, 2% were modified and 1% were added. The interest of this up-to-date annotation procedure is demonstrated through the analysis of real data previously published. SigReannot uses the oligo-nucleotide design procedure criteria to validate the probe-gene link and the Ensembl transcripts as reference for annotation. It therefore produces a high quality annotation based on reference gene sets.
Professional Notes: Reaching All Students via Technology
ERIC Educational Resources Information Center
Nelson, Deborah
2013-01-01
Music teachers are often the Pied Pipers of their schools, attracting the interest of students by the nature of the subject they teach. Their students who excel are often the best and brightest, since music reading and music production demand higher-level thinking skills, motor ability, and in the case of ensemble performance, social skills. As…
NASA Astrophysics Data System (ADS)
Hawkins, L. R.; Rupp, D. E.; Li, S.; Sarah, S.; McNeall, D. J.; Mote, P.; Betts, R. A.; Wallom, D.
2017-12-01
Changing regional patterns of surface temperature, precipitation, and humidity may cause ecosystem-scale changes in vegetation, altering the distribution of trees, shrubs, and grasses. A changing vegetation distribution, in turn, alters the albedo, latent heat flux, and carbon exchanged with the atmosphere with resulting feedbacks onto the regional climate. However, a wide range of earth-system processes that affect the carbon, energy, and hydrologic cycles occur at sub grid scales in climate models and must be parameterized. The appropriate parameter values in such parameterizations are often poorly constrained, leading to uncertainty in predictions of how the ecosystem will respond to changes in forcing. To better understand the sensitivity of regional climate to parameter selection and to improve regional climate and vegetation simulations, we used a large perturbed physics ensemble and a suite of statistical emulators. We dynamically downscaled a super-ensemble (multiple parameter sets and multiple initial conditions) of global climate simulations using a 25-km resolution regional climate model HadRM3p with the land-surface scheme MOSES2 and dynamic vegetation module TRIFFID. We simultaneously perturbed land surface parameters relating to the exchange of carbon, water, and energy between the land surface and atmosphere in a large super-ensemble of regional climate simulations over the western US. Statistical emulation was used as a computationally cost-effective tool to explore uncertainties in interactions. Regions of parameter space that did not satisfy observational constraints were eliminated and an ensemble of parameter sets that reduce regional biases and span a range of plausible interactions among earth system processes were selected. This study demonstrated that by combining super-ensemble simulations with statistical emulation, simulations of regional climate could be improved while simultaneously accounting for a range of plausible land-atmosphere feedback strengths.
SQUEEZE-E: The Optimal Solution for Molecular Simulations with Periodic Boundary Conditions.
Wassenaar, Tsjerk A; de Vries, Sjoerd; Bonvin, Alexandre M J J; Bekker, Henk
2012-10-09
In molecular simulations of macromolecules, it is desirable to limit the amount of solvent in the system to avoid spending computational resources on uninteresting solvent-solvent interactions. As a consequence, periodic boundary conditions are commonly used, with a simulation box chosen as small as possible, for a given minimal distance between images. Here, we describe how such a simulation cell can be set up for ensembles, taking into account a priori available or estimable information regarding conformational flexibility. Doing so ensures that any conformation present in the input ensemble will satisfy the distance criterion during the simulation. This helps avoid periodicity artifacts due to conformational changes. The method introduces three new approaches in computational geometry: (1) The first is the derivation of an optimal packing of ensembles, for which the mathematical framework is described. (2) A new method for approximating the α-hull and the contact body for single bodies and ensembles is presented, which is orders of magnitude faster than existing routines, allowing the calculation of packings of large ensembles and/or large bodies. 3. A routine is described for searching a combination of three vectors on a discretized contact body forming a reduced base for a lattice with minimal cell volume. The new algorithms reduce the time required to calculate packings of single bodies from minutes or hours to seconds. The use and efficacy of the method is demonstrated for ensembles obtained from NMR, MD simulations, and elastic network modeling. An implementation of the method has been made available online at http://haddock.chem.uu.nl/services/SQUEEZE/ and has been made available as an option for running simulations through the weNMR GRID MD server at http://haddock.science.uu.nl/enmr/services/GROMACS/main.php .
Efficient Transfer Entropy Analysis of Non-Stationary Neural Time Series
Vicente, Raul; Díaz-Pernas, Francisco J.; Wibral, Michael
2014-01-01
Information theory allows us to investigate information processing in neural systems in terms of information transfer, storage and modification. Especially the measure of information transfer, transfer entropy, has seen a dramatic surge of interest in neuroscience. Estimating transfer entropy from two processes requires the observation of multiple realizations of these processes to estimate associated probability density functions. To obtain these necessary observations, available estimators typically assume stationarity of processes to allow pooling of observations over time. This assumption however, is a major obstacle to the application of these estimators in neuroscience as observed processes are often non-stationary. As a solution, Gomez-Herrero and colleagues theoretically showed that the stationarity assumption may be avoided by estimating transfer entropy from an ensemble of realizations. Such an ensemble of realizations is often readily available in neuroscience experiments in the form of experimental trials. Thus, in this work we combine the ensemble method with a recently proposed transfer entropy estimator to make transfer entropy estimation applicable to non-stationary time series. We present an efficient implementation of the approach that is suitable for the increased computational demand of the ensemble method's practical application. In particular, we use a massively parallel implementation for a graphics processing unit to handle the computationally most heavy aspects of the ensemble method for transfer entropy estimation. We test the performance and robustness of our implementation on data from numerical simulations of stochastic processes. We also demonstrate the applicability of the ensemble method to magnetoencephalographic data. While we mainly evaluate the proposed method for neuroscience data, we expect it to be applicable in a variety of fields that are concerned with the analysis of information transfer in complex biological, social, and artificial systems. PMID:25068489
Park, Jae Hong; Kim, Chang-Eop; Shin, Jaewoo; Im, Changkyun; Koh, Chin Su; Seo, In Seok; Kim, Sang Jeong; Shin, Hyung-Cheul
2013-10-01
Chronic monitoring of the state of the bladder can be used to notify patients with urinary dysfunction when the bladder should be voided. Given that many spinal neurons respond both to somatic and visceral inputs, it is necessary to extract bladder information selectively from the spinal cord. Here, we hypothesize that sensory information with distinct modalities should be represented by the distinct ensemble activity patterns within the neuronal population and, therefore, analyzing the activity patterns of the neuronal population could distinguish bladder fullness from somatic stimuli. We simultaneously recorded 26-27 single unit activities in response to bladder distension or tactile stimuli in the dorsal spinal cord of each Sprague-Dawley rat. In order to discriminate between bladder fullness and tactile stimulus inputs, we analyzed the ensemble activity patterns of the entire neuronal population. A support vector machine (SVM) was employed as a classifier, and discrimination performance was measured by k-fold cross-validation tests. Most of the units responding to bladder fullness also responded to the tactile stimuli (88.9-100%). The SVM classifier precisely distinguished the bladder fullness from the somatic input (100%), indicating that the ensemble activity patterns of the unit population in the spinal cord are distinct enough to identify the current input modality. Moreover, our ensemble activity pattern-based classifier showed high robustness against random losses of signals. This study is the first to demonstrate that the two main issues of electroneurographic monitoring of bladder fullness, low signals and selectiveness, can be solved by an ensemble activity pattern-based approach, improving the feasibility of chronic monitoring of bladder fullness by neural recording.
Clark, M.R.; Gangopadhyay, S.; Hay, L.; Rajagopalan, B.; Wilby, R.
2004-01-01
A number of statistical methods that are used to provide local-scale ensemble forecasts of precipitation and temperature do not contain realistic spatial covariability between neighboring stations or realistic temporal persistence for subsequent forecast lead times. To demonstrate this point, output from a global-scale numerical weather prediction model is used in a stepwise multiple linear regression approach to downscale precipitation and temperature to individual stations located in and around four study basins in the United States. Output from the forecast model is downscaled for lead times up to 14 days. Residuals in the regression equation are modeled stochastically to provide 100 ensemble forecasts. The precipitation and temperature ensembles from this approach have a poor representation of the spatial variability and temporal persistence. The spatial correlations for downscaled output are considerably lower than observed spatial correlations at short forecast lead times (e.g., less than 5 days) when there is high accuracy in the forecasts. At longer forecast lead times, the downscaled spatial correlations are close to zero. Similarly, the observed temporal persistence is only partly present at short forecast lead times. A method is presented for reordering the ensemble output in order to recover the space-time variability in precipitation and temperature fields. In this approach, the ensemble members for a given forecast day are ranked and matched with the rank of precipitation and temperature data from days randomly selected from similar dates in the historical record. The ensembles are then reordered to correspond to the original order of the selection of historical data. Using this approach, the observed intersite correlations, intervariable correlations, and the observed temporal persistence are almost entirely recovered. This reordering methodology also has applications for recovering the space-time variability in modeled streamflow. ?? 2004 American Meteorological Society.
Uncertainties in climate change projections for viticulture in Portugal
NASA Astrophysics Data System (ADS)
Fraga, Helder; Malheiro, Aureliano C.; Moutinho-Pereira, José; Pinto, Joaquim G.; Santos, João A.
2013-04-01
The assessment of climate change impacts on viticulture is often carried out using regional climate model (RCM) outputs. These studies rely on either multi-model ensembles or on single-model approaches. The RCM-ensembles account for uncertainties inherent to the different models. In this study, using a 16-RCM ensemble under the IPCC A1B scenario, the climate change signal (future minus recent-past, 2041-2070 - 1961-2000) of 4 bioclimatic indices (Huglin Index - HI, Dryness Index - DI, Hydrothermal Index - HyI and CompI - Composite Index) over mainland Portugal is analysed. A normalized interquartile range (NIQR) of the 16-member ensemble for each bioclimatic index is assessed in order to quantify the ensemble uncertainty. The results show significant increases in the HI index over most of Portugal, with higher values in Alentejo, Trás-os-Montes and Douro/Porto wine regions, also depicting very low uncertainty. Conversely, the decreases in the DI pattern throughout the country show large uncertainties, except in Minho (northwestern Portugal), where precipitation reaches the highest amounts in Portugal. The HyI shows significant decreases in northwestern Portugal, with relatively low uncertainty all across the country. The CompI depicts significant decreases over Alentejo and increases over Minho, though decreases over Alentejo reveal high uncertainty, while increases over Minho show low uncertainty. The assessment of the uncertainty in climate change projections is of great relevance for the wine industry. Quantifying this uncertainty is crucial, since different models may lead to quite different outcomes and may thereby be as crucial as climate change itself to the winemaking sector. This work is supported by European Union Funds (FEDER/COMPETE - Operational Competitiveness Programme) and by national funds (FCT - Portuguese Foundation for Science and Technology) under the project FCOMP-01-0124-FEDER-022692.
Multiscale Monte Carlo equilibration: Two-color QCD with two fermion flavors
Detmold, William; Endres, Michael G.
2016-12-02
In this study, we demonstrate the applicability of a recently proposed multiscale thermalization algorithm to two-color quantum chromodynamics (QCD) with two mass-degenerate fermion flavors. The algorithm involves refining an ensemble of gauge configurations that had been generated using a renormalization group (RG) matched coarse action, thereby producing a fine ensemble that is close to the thermalized distribution of a target fine action; the refined ensemble is subsequently rethermalized using conventional algorithms. Although the generalization of this algorithm from pure Yang-Mills theory to QCD with dynamical fermions is straightforward, we find that in the latter case, the method is susceptible tomore » numerical instabilities during the initial stages of rethermalization when using the hybrid Monte Carlo algorithm. We find that these instabilities arise from large fermion forces in the evolution, which are attributed to an accumulation of spurious near-zero modes of the Dirac operator. We propose a simple strategy for curing this problem, and demonstrate that rapid thermalization--as probed by a variety of gluonic and fermionic operators--is possible with the use of this solution. Also, we study the sensitivity of rethermalization rates to the RG matching of the coarse and fine actions, and identify effective matching conditions based on a variety of measured scales.« less
Pairwise diversity ranking of polychotomous features for ensemble physiological signal classifiers.
Gupta, Lalit; Kota, Srinivas; Molfese, Dennis L; Vaidyanathan, Ravi
2013-06-01
It is well known that fusion classifiers for physiological signal classification with diverse components (classifiers or data sets) outperform those with less diverse components. Determining component diversity, therefore, is of the utmost importance in the design of fusion classifiers that are often employed in clinical diagnostic and numerous other pattern recognition problems. In this article, a new pairwise diversity-based ranking strategy is introduced to select a subset of ensemble components, which when combined will be more diverse than any other component subset of the same size. The strategy is unified in the sense that the components can be classifiers or data sets. Moreover, the classifiers and data sets can be polychotomous. Classifier-fusion and data-fusion systems are formulated based on the diversity-based selection strategy, and the application of the two fusion strategies are demonstrated through the classification of multichannel event-related potentials. It is observed that for both classifier and data fusion, the classification accuracy tends to increase/decrease when the diversity of the component ensemble increases/decreases. For the four sets of 14-channel event-related potentials considered, it is shown that data fusion outperforms classifier fusion. Furthermore, it is demonstrated that the combination of data components that yield the best performance, in a relative sense, can be determined through the diversity-based selection strategy.
Combining Rosetta with molecular dynamics (MD): A benchmark of the MD-based ensemble protein design.
Ludwiczak, Jan; Jarmula, Adam; Dunin-Horkawicz, Stanislaw
2018-07-01
Computational protein design is a set of procedures for computing amino acid sequences that will fold into a specified structure. Rosetta Design, a commonly used software for protein design, allows for the effective identification of sequences compatible with a given backbone structure, while molecular dynamics (MD) simulations can thoroughly sample near-native conformations. We benchmarked a procedure in which Rosetta design is started on MD-derived structural ensembles and showed that such a combined approach generates 20-30% more diverse sequences than currently available methods with only a slight increase in computation time. Importantly, the increase in diversity is achieved without a loss in the quality of the designed sequences assessed by their resemblance to natural sequences. We demonstrate that the MD-based procedure is also applicable to de novo design tasks started from backbone structures without any sequence information. In addition, we implemented a protocol that can be used to assess the stability of designed models and to select the best candidates for experimental validation. In sum our results demonstrate that the MD ensemble-based flexible backbone design can be a viable method for protein design, especially for tasks that require a large pool of diverse sequences. Copyright © 2018 Elsevier Inc. All rights reserved.
Dunn, Nicholas J H; Noid, W G
2016-05-28
This work investigates the promise of a "bottom-up" extended ensemble framework for developing coarse-grained (CG) models that provide predictive accuracy and transferability for describing both structural and thermodynamic properties. We employ a force-matching variational principle to determine system-independent, i.e., transferable, interaction potentials that optimally model the interactions in five distinct heptane-toluene mixtures. Similarly, we employ a self-consistent pressure-matching approach to determine a system-specific pressure correction for each mixture. The resulting CG potentials accurately reproduce the site-site rdfs, the volume fluctuations, and the pressure equations of state that are determined by all-atom (AA) models for the five mixtures. Furthermore, we demonstrate that these CG potentials provide similar accuracy for additional heptane-toluene mixtures that were not included their parameterization. Surprisingly, the extended ensemble approach improves not only the transferability but also the accuracy of the calculated potentials. Additionally, we observe that the required pressure corrections strongly correlate with the intermolecular cohesion of the system-specific CG potentials. Moreover, this cohesion correlates with the relative "structure" within the corresponding mapped AA ensemble. Finally, the appendix demonstrates that the self-consistent pressure-matching approach corresponds to minimizing an appropriate relative entropy.
Chodera, John D; Shirts, Michael R
2011-11-21
The widespread popularity of replica exchange and expanded ensemble algorithms for simulating complex molecular systems in chemistry and biophysics has generated much interest in discovering new ways to enhance the phase space mixing of these protocols in order to improve sampling of uncorrelated configurations. Here, we demonstrate how both of these classes of algorithms can be considered as special cases of Gibbs sampling within a Markov chain Monte Carlo framework. Gibbs sampling is a well-studied scheme in the field of statistical inference in which different random variables are alternately updated from conditional distributions. While the update of the conformational degrees of freedom by Metropolis Monte Carlo or molecular dynamics unavoidably generates correlated samples, we show how judicious updating of the thermodynamic state indices--corresponding to thermodynamic parameters such as temperature or alchemical coupling variables--can substantially increase mixing while still sampling from the desired distributions. We show how state update methods in common use can lead to suboptimal mixing, and present some simple, inexpensive alternatives that can increase mixing of the overall Markov chain, reducing simulation times necessary to obtain estimates of the desired precision. These improved schemes are demonstrated for several common applications, including an alchemical expanded ensemble simulation, parallel tempering, and multidimensional replica exchange umbrella sampling.
Displacement data assimilation
DOE Office of Scientific and Technical Information (OSTI.GOV)
Rosenthal, W. Steven; Venkataramani, Shankar; Mariano, Arthur J.
We show that modifying a Bayesian data assimilation scheme by incorporating kinematically-consistent displacement corrections produces a scheme that is demonstrably better at estimating partially observed state vectors in a setting where feature information is important. While the displacement transformation is generic, here we implement it within an ensemble Kalman Filter framework and demonstrate its effectiveness in tracking stochastically perturbed vortices.
NASA Astrophysics Data System (ADS)
Delaney, C.; Mendoza, J.; Whitin, B.; Hartman, R. K.
2017-12-01
Ensemble Forecast Operations (EFO) is a risk based approach of reservoir flood operations that incorporates ensemble streamflow predictions (ESPs) made by NOAA's California-Nevada River Forecast Center (CNRFC). With the EFO approach, each member of an ESP is individually modeled to forecast system conditions and calculate risk of reaching critical operational thresholds. Reservoir release decisions are computed which seek to manage forecasted risk to established risk tolerance levels. A water management model was developed for Lake Mendocino, a 111,000 acre-foot reservoir located near Ukiah, California, to evaluate the viability of the EFO alternative to improve water supply reliability but not increase downstream flood risk. Lake Mendocino is a dual use reservoir, which is owned and operated for flood control by the United States Army Corps of Engineers and is operated for water supply by the Sonoma County Water Agency. Due to recent changes in the operations of an upstream hydroelectric facility, this reservoir has suffered from water supply reliability issues since 2007. The EFO alternative was simulated using a 26-year (1985-2010) ESP hindcast generated by the CNRFC, which approximates flow forecasts for 61 ensemble members for a 15-day horizon. Model simulation results of the EFO alternative demonstrate a 36% increase in median end of water year (September 30) storage levels over existing operations. Additionally, model results show no increase in occurrence of flows above flood stage for points downstream of Lake Mendocino. This investigation demonstrates that the EFO alternative may be a viable approach for managing Lake Mendocino for multiple purposes (water supply, flood mitigation, ecosystems) and warrants further investigation through additional modeling and analysis.
Quantifying new water fractions and water age distributions using ensemble hydrograph separation
NASA Astrophysics Data System (ADS)
Kirchner, James
2017-04-01
Catchment transit times are important controls on contaminant transport, weathering rates, and runoff chemistry. Recent theoretical studies have shown that catchment transit time distributions are nonstationary, reflecting the temporal variability in precipitation forcing, the structural heterogeneity of catchments themselves, and the nonlinearity of the mechanisms controlling storage and transport in the subsurface. The challenge of empirically estimating these nonstationary transit time distributions in real-world catchments, however, has only begun to be explored. Long, high-frequency tracer time series are now becoming available, creating new opportunities to study how rainfall becomes streamflow on timescales of minutes to days following the onset of precipitation. Here I show that the conventional formula used for hydrograph separation can be converted into an equivalent linear regression equation that quantifies the fraction of current rainfall in streamflow across ensembles of precipitation events. These ensembles can be selected to represent different discharge ranges, different precipitation intensities, or different levels of antecedent moisture, thus quantifying how the fraction of "new water" in streamflow varies with forcings such as these. I further show how this approach can be generalized to empirically determine the contributions of precipitation inputs to streamflow across a range of time lags. In this way the short-term tail of the transit time distribution can be directly quantified for an ensemble of precipitation events. Benchmark testing with a simple, nonlinear, nonstationary catchment model demonstrates that this approach quantitatively measures the short tail of the transit time distribution for a wide range of catchment response characteristics. In combination with reactive tracer time series, this approach can potentially be extended to measure short-term chemical reaction rates at the catchment scale. High-frequency tracer time series from several experimental catchments will be used to demonstrate the utility of the new approach outlined here.
Deep biomarkers of human aging: Application of deep neural networks to biomarker development
Putin, Evgeny; Mamoshina, Polina; Aliper, Alexander; Korzinkin, Mikhail; Moskalev, Alexey; Kolosov, Alexey; Ostrovskiy, Alexander; Cantor, Charles; Vijg, Jan; Zhavoronkov, Alex
2016-01-01
One of the major impediments in human aging research is the absence of a comprehensive and actionable set of biomarkers that may be targeted and measured to track the effectiveness of therapeutic interventions. In this study, we designed a modular ensemble of 21 deep neural networks (DNNs) of varying depth, structure and optimization to predict human chronological age using a basic blood test. To train the DNNs, we used over 60,000 samples from common blood biochemistry and cell count tests from routine health exams performed by a single laboratory and linked to chronological age and sex. The best performing DNN in the ensemble demonstrated 81.5 % epsilon-accuracy r = 0.90 with R2 = 0.80 and MAE = 6.07 years in predicting chronological age within a 10 year frame, while the entire ensemble achieved 83.5% epsilon-accuracy r = 0.91 with R2 = 0.82 and MAE = 5.55 years. The ensemble also identified the 5 most important markers for predicting human chronological age: albumin, glucose, alkaline phosphatase, urea and erythrocytes. To allow for public testing and evaluate real-life performance of the predictor, we developed an online system available at http://www.aging.ai. The ensemble approach may facilitate integration of multi-modal data linked to chronological age and sex that may lead to simple, minimally invasive, and affordable methods of tracking integrated biomarkers of aging in humans and performing cross-species feature importance analysis. PMID:27191382
Ozcift, Akin
2012-08-01
Parkinson disease (PD) is an age-related deterioration of certain nerve systems, which affects movement, balance, and muscle control of clients. PD is one of the common diseases which affect 1% of people older than 60 years. A new classification scheme based on support vector machine (SVM) selected features to train rotation forest (RF) ensemble classifiers is presented for improving diagnosis of PD. The dataset contains records of voice measurements from 31 people, 23 with PD and each record in the dataset is defined with 22 features. The diagnosis model first makes use of a linear SVM to select ten most relevant features from 22. As a second step of the classification model, six different classifiers are trained with the subset of features. Subsequently, at the third step, the accuracies of classifiers are improved by the utilization of RF ensemble classification strategy. The results of the experiments are evaluated using three metrics; classification accuracy (ACC), Kappa Error (KE) and Area under the Receiver Operating Characteristic (ROC) Curve (AUC). Performance measures of two base classifiers, i.e. KStar and IBk, demonstrated an apparent increase in PD diagnosis accuracy compared to similar studies in literature. After all, application of RF ensemble classification scheme improved PD diagnosis in 5 of 6 classifiers significantly. We, numerically, obtained about 97% accuracy in RF ensemble of IBk (a K-Nearest Neighbor variant) algorithm, which is a quite high performance for Parkinson disease diagnosis.
Scale-invariant Green-Kubo relation for time-averaged diffusivity
NASA Astrophysics Data System (ADS)
Meyer, Philipp; Barkai, Eli; Kantz, Holger
2017-12-01
In recent years it was shown both theoretically and experimentally that in certain systems exhibiting anomalous diffusion the time- and ensemble-averaged mean-squared displacement are remarkably different. The ensemble-averaged diffusivity is obtained from a scaling Green-Kubo relation, which connects the scale-invariant nonstationary velocity correlation function with the transport coefficient. Here we obtain the relation between time-averaged diffusivity, usually recorded in single-particle tracking experiments, and the underlying scale-invariant velocity correlation function. The time-averaged mean-squared displacement is given by 〈δ2¯〉 ˜2 DνtβΔν -β , where t is the total measurement time and Δ is the lag time. Here ν is the anomalous diffusion exponent obtained from ensemble-averaged measurements 〈x2〉 ˜tν , while β ≥-1 marks the growth or decline of the kinetic energy 〈v2〉 ˜tβ . Thus, we establish a connection between exponents that can be read off the asymptotic properties of the velocity correlation function and similarly for the transport constant Dν. We demonstrate our results with nonstationary scale-invariant stochastic and deterministic models, thereby highlighting that systems with equivalent behavior in the ensemble average can differ strongly in their time average. If the averaged kinetic energy is finite, β =0 , the time scaling of 〈δ2¯〉 and 〈x2〉 are identical; however, the time-averaged transport coefficient Dν is not identical to the corresponding ensemble-averaged diffusion constant.
Deep biomarkers of human aging: Application of deep neural networks to biomarker development.
Putin, Evgeny; Mamoshina, Polina; Aliper, Alexander; Korzinkin, Mikhail; Moskalev, Alexey; Kolosov, Alexey; Ostrovskiy, Alexander; Cantor, Charles; Vijg, Jan; Zhavoronkov, Alex
2016-05-01
One of the major impediments in human aging research is the absence of a comprehensive and actionable set of biomarkers that may be targeted and measured to track the effectiveness of therapeutic interventions. In this study, we designed a modular ensemble of 21 deep neural networks (DNNs) of varying depth, structure and optimization to predict human chronological age using a basic blood test. To train the DNNs, we used over 60,000 samples from common blood biochemistry and cell count tests from routine health exams performed by a single laboratory and linked to chronological age and sex. The best performing DNN in the ensemble demonstrated 81.5 % epsilon-accuracy r = 0.90 with R(2) = 0.80 and MAE = 6.07 years in predicting chronological age within a 10 year frame, while the entire ensemble achieved 83.5% epsilon-accuracy r = 0.91 with R(2) = 0.82 and MAE = 5.55 years. The ensemble also identified the 5 most important markers for predicting human chronological age: albumin, glucose, alkaline phosphatase, urea and erythrocytes. To allow for public testing and evaluate real-life performance of the predictor, we developed an online system available at http://www.aging.ai. The ensemble approach may facilitate integration of multi-modal data linked to chronological age and sex that may lead to simple, minimally invasive, and affordable methods of tracking integrated biomarkers of aging in humans and performing cross-species feature importance analysis.
Entanglement with negative Wigner function of almost 3,000 atoms heralded by one photon.
McConnell, Robert; Zhang, Hao; Hu, Jiazhong; Ćuk, Senka; Vuletić, Vladan
2015-03-26
Quantum-mechanically correlated (entangled) states of many particles are of interest in quantum information, quantum computing and quantum metrology. Metrologically useful entangled states of large atomic ensembles have been experimentally realized, but these states display Gaussian spin distribution functions with a non-negative Wigner quasiprobability distribution function. Non-Gaussian entangled states have been produced in small ensembles of ions, and very recently in large atomic ensembles. Here we generate entanglement in a large atomic ensemble via an interaction with a very weak laser pulse; remarkably, the detection of a single photon prepares several thousand atoms in an entangled state. We reconstruct a negative-valued Wigner function--an important hallmark of non-classicality--and verify an entanglement depth (the minimum number of mutually entangled atoms) of 2,910 ± 190 out of 3,100 atoms. Attaining such a negative Wigner function and the mutual entanglement of virtually all atoms is unprecedented for an ensemble containing more than a few particles. Although the achieved purity of the state is slightly below the threshold for entanglement-induced metrological gain, further technical improvement should allow the generation of states that surpass this threshold, and of more complex Schrödinger cat states for quantum metrology and information processing. More generally, our results demonstrate the power of heralded methods for entanglement generation, and illustrate how the information contained in a single photon can drastically alter the quantum state of a large system.
Path planning in uncertain flow fields using ensemble method
NASA Astrophysics Data System (ADS)
Wang, Tong; Le Maître, Olivier P.; Hoteit, Ibrahim; Knio, Omar M.
2016-10-01
An ensemble-based approach is developed to conduct optimal path planning in unsteady ocean currents under uncertainty. We focus our attention on two-dimensional steady and unsteady uncertain flows, and adopt a sampling methodology that is well suited to operational forecasts, where an ensemble of deterministic predictions is used to model and quantify uncertainty. In an operational setting, much about dynamics, topography, and forcing of the ocean environment is uncertain. To address this uncertainty, the flow field is parametrized using a finite number of independent canonical random variables with known densities, and the ensemble is generated by sampling these variables. For each of the resulting realizations of the uncertain current field, we predict the path that minimizes the travel time by solving a boundary value problem (BVP), based on the Pontryagin maximum principle. A family of backward-in-time trajectories starting at the end position is used to generate suitable initial values for the BVP solver. This allows us to examine and analyze the performance of the sampling strategy and to develop insight into extensions dealing with general circulation ocean models. In particular, the ensemble method enables us to perform a statistical analysis of travel times and consequently develop a path planning approach that accounts for these statistics. The proposed methodology is tested for a number of scenarios. We first validate our algorithms by reproducing simple canonical solutions, and then demonstrate our approach in more complex flow fields, including idealized, steady and unsteady double-gyre flows.
Implementation of a quantum metamaterial using superconducting qubits.
Macha, Pascal; Oelsner, Gregor; Reiner, Jan-Michael; Marthaler, Michael; André, Stephan; Schön, Gerd; Hübner, Uwe; Meyer, Hans-Georg; Il'ichev, Evgeni; Ustinov, Alexey V
2014-10-14
The key issue for the implementation of a metamaterial is to demonstrate the existence of collective modes corresponding to coherent oscillations of the meta-atoms. Atoms of natural materials interact with electromagnetic fields as quantum two-level systems. Artificial quantum two-level systems can be made, for example, using superconducting nonlinear resonators cooled down to their ground state. Here we perform an experiment in which 20 of these quantum meta-atoms, so-called flux qubits, are embedded into a microwave resonator. We observe the dispersive shift of the resonator frequency imposed by the qubit metamaterial and the collective resonant coupling of eight qubits. The realized prototype represents a mesoscopic limit of naturally occurring spin ensembles and as such we demonstrate the AC-Zeeman shift of a resonant qubit ensemble. The studied system constitutes the implementation of a basic quantum metamaterial in the sense that many artificial atoms are coupled collectively to the quantized mode of a photon field.
Enhanced photoelectric detection of NV magnetic resonances in diamond under dual-beam excitation
NASA Astrophysics Data System (ADS)
Bourgeois, E.; Londero, E.; Buczak, K.; Hruby, J.; Gulka, M.; Balasubramaniam, Y.; Wachter, G.; Stursa, J.; Dobes, K.; Aumayr, F.; Trupke, M.; Gali, A.; Nesladek, M.
2017-01-01
The core issue for the implementation of NV center qubit technology is a sensitive readout of the NV spin state. We present here a detailed theoretical and experimental study of NV center photoionization processes, used as a basis for the design of a dual-beam photoelectric method for the detection of NV magnetic resonances (PDMR). This scheme, based on NV one-photon ionization, is significantly more efficient than the previously reported single-beam excitation scheme. We demonstrate this technique on small ensembles of ˜10 shallow NVs implanted in electronic grade diamond (a relevant material for quantum technology), on which we achieve a cw magnetic resonance contrast of 9%—three times enhanced compared to previous work. The dual-beam PDMR scheme allows independent control of the photoionization rate and spin magnetic resonance contrast. Under a similar excitation, we obtain a significantly higher photocurrent, and thus an improved signal-to-noise ratio, compared to single-beam PDMR. Finally, this scheme is predicted to enhance magnetic resonance contrast in the case of samples with a high proportion of substitutional nitrogen defects, and could therefore enable the photoelectric readout of single NV spins.
Protocol for fermionic positive-operator-valued measures
NASA Astrophysics Data System (ADS)
Arvidsson-Shukur, D. R. M.; Lepage, H. V.; Owen, E. T.; Ferrus, T.; Barnes, C. H. W.
2017-11-01
In this paper we present a protocol for the implementation of a positive-operator-valued measure (POVM) on massive fermionic qubits. We present methods for implementing nondispersive qubit transport, spin rotations, and spin polarizing beam-splitter operations. Our scheme attains linear opticslike control of the spatial extent of the qubits by considering ground-state electrons trapped in the minima of surface acoustic waves in semiconductor heterostructures. Furthermore, we numerically simulate a high-fidelity POVM that carries out Procrustean entanglement distillation in the framework of our scheme, using experimentally realistic potentials. Our protocol can be applied not only to pure ensembles with particle pairs of known identical entanglement, but also to realistic ensembles of particle pairs with a distribution of entanglement entropies. This paper provides an experimentally realizable design for future quantum technologies.
Face Recognition via Ensemble SIFT Matching of Uncorrelated Hyperspectral Bands and Spectral PCTs
2011-06-01
Operational Sciences Graduate School of Engineering and Management Air Force Institute of Technology Air University Air...Education and Training Command In Partial Fulfillment of the Requirements for the Degree of Master of Science in Operations Research...Comparison of performance against different categories of probes (Phillips, Moon, Rauss, & Rizvi, 1997, p. 141
The Effects of Technology on the Sight-Reading Achievement of Beginning Choir Students
ERIC Educational Resources Information Center
Petty, Colleen; Henry, Michele L.
2014-01-01
The ultimate goal for many choral directors is to develop independent musicians within the ensemble. The ability to sing a series of pitches and rhythms at first sight is widely understood to be a fundamental building block of independent musicianship. Yet sight-reading is not simply a holistic skill. There are separate components of…
Mizwicki, Mathew T.; Bula, Craig M.; Bishop, June E.; Norman, Anthony W.
2007-01-01
Recently, we have developed a vitamin D sterol (VDS)-VDR conformational ensemble model. This model can be broken down into three individual, yet interlinked parts: a) the conformationally flexible VDS, b) the apo/holo-VDR helix-12 (H12) conformational ensemble, and c) the presence of two VDR ligand binding pockets (LBPs); one thermodynamically favored (the genomic pocket, G-pocket) and the other kinetically favored by VDSs (the alternative pocket, A-pocket). One focus of this study is to use directed VDR mutagenesis to 1) demonstrate H12 is stabilized in the transcriptionally active closed conformation (hVDR-c1) by three salt-bridges that span the length of H12 (cationic residues R154, K264 and R402), 2) to elucidate the VDR trypsin sites [R173 (hVDR-c1), K413 (hVDR-c2) and R402 (hVDR-c3)] and 3) demonstrate the apo-VDR H12 equilibrium can be shifted. The other focus of this study is to apply the model to generate a mechanistic understanding to discrepancies observed in structure-function data obtained with a variety of 1α,25(OH)2-vitamin D3 (1,25D) A-ring and side-chain analogs, and side-chain metabolites. We will demonstrate that these structure-function conundrums can be rationalized, for the most part by focusing on alterations in the VDS conformational flexibility and the elementary interaction between the VDS and the VDR A- and G-pockets, relative to the control, 1,25D. PMID:17368177
Fluorescence quenching by TEMPO: a sub-30 A single-molecule ruler.
Zhu, Peizhi; Clamme, Jean-Pierre; Deniz, Ashok A
2005-11-01
A series of DNA molecules labeled with 5-carboxytetramethylrhodamine (5-TAMRA) and the small nitroxide radical TEMPO were synthesized and tested to investigate whether the intramolecular quenching efficiency can be used to measure short intramolecular distances in small ensemble and single-molecule experiments. In combination with distance calculations using molecular mechanics modeling, the experimental results from steady-state ensemble fluorescence and fluorescence correlation spectroscopy measurements both show an exponential decrease in the quenching rate constant with the dye-quencher distance in the 10-30 A range. The results demonstrate that TEMPO-5-TAMRA fluorescence quenching is a promising method to measure short distance changes within single biomolecules.
Majid, Abdul; Ali, Safdar
2015-01-01
We developed genetic programming (GP)-based evolutionary ensemble system for the early diagnosis, prognosis and prediction of human breast cancer. This system has effectively exploited the diversity in feature and decision spaces. First, individual learners are trained in different feature spaces using physicochemical properties of protein amino acids. Their predictions are then stacked to develop the best solution during GP evolution process. Finally, results for HBC-Evo system are obtained with optimal threshold, which is computed using particle swarm optimization. Our novel approach has demonstrated promising results compared to state of the art approaches.
Propellants and Life Support SCAPE Suit and ECU Capability
NASA Technical Reports Server (NTRS)
Goetzfried, Andreas
2011-01-01
This presentation outlines the details for a conference booth that exhibits the Propellant Handlers Ensemble (PHE) and the Environmental Control Unit (ECU) for personnel loading propellants. A demonstration of the ECU Loading will be performed at the conference.
Laser-induced incandescence measurements in a fired diesel engine at 3 kHz
NASA Astrophysics Data System (ADS)
Boxx, I. G.; Heinold, O.; Geigle, K. P.
2015-01-01
Laser-induced incandescence (LII) was performed at 3 kHz in an optically accessible cylinder of a fired diesel engine using a commercially available diode-pumped solid-state laser and an intensified CMOS camera. The resulting images, acquired every 3° of crank angle, enabled the spatiotemporal tracking of soot structures during the expansion/exhaust stroke of the engine cycle. The image sequences demonstrate that soot tends to form in thin sheets that propagate and interact with the in-cylinder flow. These sheets tend to align parallel to the central axis of the cylinder and are frequently wrapped into conical spirals by aerodynamic swirl. Most of the soot is observed well away from the cylinder walls. Quantitative soot measurements were beyond the scope of this study but the results demonstrate the practical utility of using kHz-rate LII to acquire ensemble-averaged statistical data with high crank angle resolution over a complete engine cycle. Based on semi-quantitative measures of soot distribution, it was possible to identify soot dynamics related to incomplete charge exchange. This study shows that long-duration, multi-kHz acquisition rate LII measurements are viable in a fired diesel engine with currently available laser and camera technology, albeit only in the expansion and exhaust phase of the cycle at present. Furthermore, such measurements yield useful insight into soot dynamics and therefore constitute an important new tool for the development and optimization of diesel engine technology.
Frank, Joachim; Gonzalez, Ruben L.
2015-01-01
At equilibrium, thermodynamic and kinetic information can be extracted from biomolecular energy landscapes by many techniques. However, while static, ensemble techniques yield thermodynamic data, often only dynamic, single-molecule techniques can yield the kinetic data that describes transition-state energy barriers. Here we present a generalized framework based upon dwell-time distributions that can be used to connect such static, ensemble techniques with dynamic, single-molecule techniques, and thus characterize energy landscapes to greater resolutions. We demonstrate the utility of this framework by applying it to cryogenic electron microscopy and single-molecule fluorescence resonance energy transfer studies of the bacterial ribosomal pretranslocation complex. Among other benefits, application of this framework to these data explains why two transient, intermediate conformations of the pretranslocation complex, which are observed in a cryogenic electron microscopy study, may not be observed in several single-molecule fluorescence resonance energy transfer studies. PMID:25785884
Fidelity decay in interacting two-level boson systems: Freezing and revivals
NASA Astrophysics Data System (ADS)
Benet, Luis; Hernández-Quiroz, Saúl; Seligman, Thomas H.
2011-05-01
We study the fidelity decay in the k-body embedded ensembles of random matrices for bosons distributed in two single-particle states, considering the reference or unperturbed Hamiltonian as the one-body terms and the diagonal part of the k-body embedded ensemble of random matrices and the perturbation as the residual off-diagonal part of the interaction. We calculate the ensemble-averaged fidelity with respect to an initial random state within linear response theory to second order on the perturbation strength and demonstrate that it displays the freeze of the fidelity. During the freeze, the average fidelity exhibits periodic revivals at integer values of the Heisenberg time tH. By selecting specific k-body terms of the residual interaction, we find that the periodicity of the revivals during the freeze of fidelity is an integer fraction of tH, thus relating the period of the revivals with the range of the interaction k of the perturbing terms. Numerical calculations confirm the analytical results.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Okamoto, Satoshi; Alvarez, Gonzalo; Dagotto, Elbio
We examine the accuracy of the microcanonical Lanczos method (MCLM) developed by Long et al. [Phys. Rev. B 68, 235106 (2003)] to compute dynamical spectral functions of interacting quantum models at finite temperatures. The MCLM is based on the microcanonical ensemble, which becomes exact in the thermodynamic limit. To apply the microcanonical ensemble at a fixed temperature, one has to find energy eigenstates with the energy eigenvalue corresponding to the internal energy in the canonical ensemble. Here in this paper, we propose to use thermal pure quantum state methods by Sugiura and Shimizu [Phys. Rev. Lett. 111, 010401 (2013)] tomore » obtain the internal energy. After obtaining the energy eigenstates using the Lanczos diagonalization method, dynamical quantities are computed via a continued fraction expansion, a standard procedure for Lanczos-based numerical methods. Using one-dimensional antiferromagnetic Heisenberg chains with S = 1/2, we demonstrate that the proposed procedure is reasonably accurate, even for relatively small systems.« less
A Solar Time-Based Analog Ensemble Method for Regional Solar Power Forecasting
DOE Office of Scientific and Technical Information (OSTI.GOV)
Hodge, Brian S; Zhang, Xinmin; Li, Yuan
This paper presents a new analog ensemble method for day-ahead regional photovoltaic (PV) power forecasting with hourly resolution. By utilizing open weather forecast and power measurement data, this prediction method is processed within a set of historical data with similar meteorological data (temperature and irradiance), and astronomical date (solar time and earth declination angle). Further, clustering and blending strategies are applied to improve its accuracy in regional PV forecasting. The robustness of the proposed method is demonstrated with three different numerical weather prediction models, the North American Mesoscale Forecast System, the Global Forecast System, and the Short-Range Ensemble Forecast, formore » both region level and single site level PV forecasts. Using real measured data, the new forecasting approach is applied to the load zone in Southeastern Massachusetts as a case study. The normalized root mean square error (NRMSE) has been reduced by 13.80%-61.21% when compared with three tested baselines.« less
Estimating stochastic noise using in situ measurements from a linear wavefront slope sensor.
Bharmal, Nazim Ali; Reeves, Andrew P
2016-01-15
It is shown how the solenoidal component of noise from the measurements of a wavefront slope sensor can be utilized to estimate the total noise: specifically, the ensemble noise variance. It is well known that solenoidal noise is orthogonal to the reconstruction of the wavefront under conditions of low scintillation (absence of wavefront vortices). Therefore, it can be retrieved even with a nonzero slope signal present. By explicitly estimating the solenoidal noise from an ensemble of slopes, it can be retrieved for any wavefront sensor configuration. Furthermore, the ensemble variance is demonstrated to be related to the total noise variance via a straightforward relationship. This relationship is revealed via the method of the explicit estimation: it consists of a small, heuristic set of four constants that do not depend on the underlying statistics of the incoming wavefront. These constants seem to apply to all situations-data from a laboratory experiment as well as many configurations of numerical simulation-so the method is concluded to be generic.
Okamoto, Satoshi; Alvarez, Gonzalo; Dagotto, Elbio; ...
2018-04-20
We examine the accuracy of the microcanonical Lanczos method (MCLM) developed by Long et al. [Phys. Rev. B 68, 235106 (2003)] to compute dynamical spectral functions of interacting quantum models at finite temperatures. The MCLM is based on the microcanonical ensemble, which becomes exact in the thermodynamic limit. To apply the microcanonical ensemble at a fixed temperature, one has to find energy eigenstates with the energy eigenvalue corresponding to the internal energy in the canonical ensemble. Here in this paper, we propose to use thermal pure quantum state methods by Sugiura and Shimizu [Phys. Rev. Lett. 111, 010401 (2013)] tomore » obtain the internal energy. After obtaining the energy eigenstates using the Lanczos diagonalization method, dynamical quantities are computed via a continued fraction expansion, a standard procedure for Lanczos-based numerical methods. Using one-dimensional antiferromagnetic Heisenberg chains with S = 1/2, we demonstrate that the proposed procedure is reasonably accurate, even for relatively small systems.« less
Donovan, Rory M.; Tapia, Jose-Juan; Sullivan, Devin P.; Faeder, James R.; Murphy, Robert F.; Dittrich, Markus; Zuckerman, Daniel M.
2016-01-01
The long-term goal of connecting scales in biological simulation can be facilitated by scale-agnostic methods. We demonstrate that the weighted ensemble (WE) strategy, initially developed for molecular simulations, applies effectively to spatially resolved cell-scale simulations. The WE approach runs an ensemble of parallel trajectories with assigned weights and uses a statistical resampling strategy of replicating and pruning trajectories to focus computational effort on difficult-to-sample regions. The method can also generate unbiased estimates of non-equilibrium and equilibrium observables, sometimes with significantly less aggregate computing time than would be possible using standard parallelization. Here, we use WE to orchestrate particle-based kinetic Monte Carlo simulations, which include spatial geometry (e.g., of organelles, plasma membrane) and biochemical interactions among mobile molecular species. We study a series of models exhibiting spatial, temporal and biochemical complexity and show that although WE has important limitations, it can achieve performance significantly exceeding standard parallel simulation—by orders of magnitude for some observables. PMID:26845334
Yun, Su-Won; Park, Shin-Ae; Kim, Tae-June; Kim, Jun-Hyuk; Pak, Gi-Woong; Kim, Yong-Tae
2017-02-08
A simple, inexpensive approach is proposed for enhancing the durability of automotive proton exchange membrane fuel cells by selective promotion of the hydrogen oxidation reaction (HOR) and suppression of the oxygen reduction reaction (ORR) at the anode in startup/shutdown events. Dodecanethiol forms a self-assembled monolayer (SAM) on the surface of Pt particles, thus decreasing the number of Pt ensemble sites. Interestingly, by controlling the dodecanethiol concentration during SAM formation, the number of ensemble sites can be precisely optimized such that it is sufficient for the HOR but insufficient for the ORR. Thus, a Pt surface with an SAM of dodecanethiol clearly effects HOR-selective electrocatalysis. Clear HOR selectivity is demonstrated in unit cell tests with the actual membrane electrode assembly, as well as in an electrochemical three-electrode setup with a thin-film rotating disk electrode configuration. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
MacQuarrie, E. R.; Otten, M.; Gray, S. K.; ...
2017-02-06
Cooling a mechanical resonator mode to a sub-thermal state has been a long-standing challenge in physics. This pursuit has recently found traction in the field of optomechanics in which a mechanical mode is coupled to an optical cavity. An alternate method is to couple the resonator to a well-controlled two-level system. Here we propose a protocol to dissipatively cool a room temperature mechanical resonator using a nitrogen-vacancy centre ensemble. The spin ensemble is coupled to the resonator through its orbitally-averaged excited state, which has a spin-strain interaction that has not been previously studied. We experimentally demonstrate that the spin-strain couplingmore » in the excited state is 13.5 ± 0.5 times stronger than the ground state spin-strain coupling. Lastly, we then theoretically show that this interaction, combined with a high-density spin ensemble, enables the cooling of a mechanical resonator from room temperature to a fraction of its thermal phonon occupancy.« less
Cao, Lushuai; Krönke, Sven; Vendrell, Oriol; Schmelcher, Peter
2013-10-07
We develop the multi-layer multi-configuration time-dependent Hartree method for bosons (ML-MCTDHB), a variational numerically exact ab initio method for studying the quantum dynamics and stationary properties of general bosonic systems. ML-MCTDHB takes advantage of the permutation symmetry of identical bosons, which allows for investigations of the quantum dynamics from few to many-body systems. Moreover, the multi-layer feature enables ML-MCTDHB to describe mixed bosonic systems consisting of arbitrary many species. Multi-dimensional as well as mixed-dimensional systems can be accurately and efficiently simulated via the multi-layer expansion scheme. We provide a detailed account of the underlying theory and the corresponding implementation. We also demonstrate the superior performance by applying the method to the tunneling dynamics of bosonic ensembles in a one-dimensional double well potential, where a single-species bosonic ensemble of various correlation strengths and a weakly interacting two-species bosonic ensemble are considered.
Self-organization and emergent behaviour: distributed decision making in sensor networks
NASA Astrophysics Data System (ADS)
van der Wal, Ariën J.
2013-01-01
One of the most challenging phenomena that can be observed in an ensemble of interacting agents is that of self-organization, viz. emergent, collective behaviour, also known as synergy. The concept of synergy is also the key idea behind sensor fusion. The idea often loosely phrased as '1+1>2', strongly suggests that it is possible to make up an ensemble of similar agents, assume some kind of interaction and that in such a system 'synergy' will automatically evolve. In a more rigorous approach, the paradigm may be expressed by identifying an ensemble performance measure that yields more than a superposition of the individual performance measures of the constituents. In this study, we demonstrate that distributed decision making in a sensor network can be described by a simple system consisting of phase oscillators. In the thermodynamic limit, this system shows spontaneous organization. Simulations indicate that also for finite populations, phase synchronization spontaneously emerges if the coupling strength is strong enough.
Thompson, Colin D Kinz; Sharma, Ajeet K; Frank, Joachim; Gonzalez, Ruben L; Chowdhury, Debashish
2015-08-27
At equilibrium, thermodynamic and kinetic information can be extracted from biomolecular energy landscapes by many techniques. However, while static, ensemble techniques yield thermodynamic data, often only dynamic, single-molecule techniques can yield the kinetic data that describe transition-state energy barriers. Here we present a generalized framework based upon dwell-time distributions that can be used to connect such static, ensemble techniques with dynamic, single-molecule techniques, and thus characterize energy landscapes to greater resolutions. We demonstrate the utility of this framework by applying it to cryogenic electron microscopy (cryo-EM) and single-molecule fluorescence resonance energy transfer (smFRET) studies of the bacterial ribosomal pre-translocation complex. Among other benefits, application of this framework to these data explains why two transient, intermediate conformations of the pre-translocation complex, which are observed in a cryo-EM study, may not be observed in several smFRET studies.
DOE Office of Scientific and Technical Information (OSTI.GOV)
MacQuarrie, E. R.; Otten, M.; Gray, S. K.
Cooling a mechanical resonator mode to a sub-thermal state has been a long-standing challenge in physics. This pursuit has recently found traction in the field of optomechanics in which a mechanical mode is coupled to an optical cavity. An alternate method is to couple the resonator to a well-controlled two-level system. Here we propose a protocol to dissipatively cool a room temperature mechanical resonator using a nitrogen-vacancy centre ensemble. The spin ensemble is coupled to the resonator through its orbitally-averaged excited state, which has a spin-strain interaction that has not been previously studied. We experimentally demonstrate that the spin-strain couplingmore » in the excited state is 13.5 ± 0.5 times stronger than the ground state spin-strain coupling. Lastly, we then theoretically show that this interaction, combined with a high-density spin ensemble, enables the cooling of a mechanical resonator from room temperature to a fraction of its thermal phonon occupancy.« less
Ensemble of hybrid genetic algorithm for two-dimensional phase unwrapping
NASA Astrophysics Data System (ADS)
Balakrishnan, D.; Quan, C.; Tay, C. J.
2013-06-01
The phase unwrapping is the final and trickiest step in any phase retrieval technique. Phase unwrapping by artificial intelligence methods (optimization algorithms) such as hybrid genetic algorithm, reverse simulated annealing, particle swarm optimization, minimum cost matching showed better results than conventional phase unwrapping methods. In this paper, Ensemble of hybrid genetic algorithm with parallel populations is proposed to solve the branch-cut phase unwrapping problem. In a single populated hybrid genetic algorithm, the selection, cross-over and mutation operators are applied to obtain new population in every generation. The parameters and choice of operators will affect the performance of the hybrid genetic algorithm. The ensemble of hybrid genetic algorithm will facilitate to have different parameters set and different choice of operators simultaneously. Each population will use different set of parameters and the offspring of each population will compete against the offspring of all other populations, which use different set of parameters. The effectiveness of proposed algorithm is demonstrated by phase unwrapping examples and advantages of the proposed method are discussed.
Assimilation of glider and mooring data into a coastal ocean model
NASA Astrophysics Data System (ADS)
Jones, Emlyn M.; Oke, Peter R.; Rizwi, Farhan; Murray, Lawrence M.
We have applied an ensemble optimal interpolation (EnOI) data assimilation system to a high resolution coastal ocean model of south-east Tasmania, Australia. The region is characterised by a complex coastline with water masses influenced by riverine input and the interaction between two offshore current systems. Using a large static ensemble to estimate the systems background error covariance, data from a coastal observing network of fixed moorings and a Slocum glider are assimilated into the model at daily intervals. We demonstrate that the EnOI algorithm can successfully correct a biased high resolution coastal model. In areas with dense observations, the assimilation scheme reduces the RMS difference between the model and independent GHRSST observations by 90%, while the domain-wide RMS difference is reduced by a more modest 40%. Our findings show that errors introduced by surface forcing and boundary conditions can be identified and reduced by a relatively sparse observing array using an inexpensive ensemble-based data assimilation system.
Time-Hierarchical Clustering and Visualization of Weather Forecast Ensembles.
Ferstl, Florian; Kanzler, Mathias; Rautenhaus, Marc; Westermann, Rudiger
2017-01-01
We propose a new approach for analyzing the temporal growth of the uncertainty in ensembles of weather forecasts which are started from perturbed but similar initial conditions. As an alternative to traditional approaches in meteorology, which use juxtaposition and animation of spaghetti plots of iso-contours, we make use of contour clustering and provide means to encode forecast dynamics and spread in one single visualization. Based on a given ensemble clustering in a specified time window, we merge clusters in time-reversed order to indicate when and where forecast trajectories start to diverge. We present and compare different visualizations of the resulting time-hierarchical grouping, including space-time surfaces built by connecting cluster representatives over time, and stacked contour variability plots. We demonstrate the effectiveness of our visual encodings with forecast examples of the European Centre for Medium-Range Weather Forecasts, which convey the evolution of specific features in the data as well as the temporally increasing spatial variability.
Krishnan, Ranjani; Walton, Emily B; Van Vliet, Krystyn J
2009-11-01
As computational resources increase, molecular dynamics simulations of biomolecules are becoming an increasingly informative complement to experimental studies. In particular, it has now become feasible to use multiple initial molecular configurations to generate an ensemble of replicate production-run simulations that allows for more complete characterization of rare events such as ligand-receptor unbinding. However, there are currently no explicit guidelines for selecting an ensemble of initial configurations for replicate simulations. Here, we use clustering analysis and steered molecular dynamics simulations to demonstrate that the configurational changes accessible in molecular dynamics simulations of biomolecules do not necessarily correlate with observed rare-event properties. This informs selection of a representative set of initial configurations. We also employ statistical analysis to identify the minimum number of replicate simulations required to sufficiently sample a given biomolecular property distribution. Together, these results suggest a general procedure for generating an ensemble of replicate simulations that will maximize accurate characterization of rare-event property distributions in biomolecules.
Shi, Jade; Nobrega, R. Paul; Schwantes, Christian; ...
2017-03-08
The dynamics of globular proteins can be described in terms of transitions between a folded native state and less-populated intermediates, or excited states, which can play critical roles in both protein folding and function. Excited states are by definition transient species, and therefore are difficult to characterize using current experimental techniques. We report an atomistic model of the excited state ensemble of a stabilized mutant of an extensively studied flavodoxin fold protein CheY. We employed a hybrid simulation and experimental approach in which an aggregate 42 milliseconds of all-atom molecular dynamics were used as an informative prior for the structuremore » of the excited state ensemble. The resulting prior was then refined against small-angle X-ray scattering (SAXS) data employing an established method (EROS). The most striking feature of the resulting excited state ensemble was an unstructured N-terminus stabilized by non-native contacts in a conformation that is topologically simpler than the native state. We then predict incisive single molecule FRET experiments, using these results, as a means of model validation. Our study demonstrates the paradigm of uniting simulation and experiment in a statistical model to study the structure of protein excited states and rationally design validating experiments.« less
Calculating ensemble averaged descriptions of protein rigidity without sampling.
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.
NASA Astrophysics Data System (ADS)
Shi, Jade; Nobrega, R. Paul; Schwantes, Christian; Kathuria, Sagar V.; Bilsel, Osman; Matthews, C. Robert; Lane, T. J.; Pande, Vijay S.
2017-03-01
The dynamics of globular proteins can be described in terms of transitions between a folded native state and less-populated intermediates, or excited states, which can play critical roles in both protein folding and function. Excited states are by definition transient species, and therefore are difficult to characterize using current experimental techniques. Here, we report an atomistic model of the excited state ensemble of a stabilized mutant of an extensively studied flavodoxin fold protein CheY. We employed a hybrid simulation and experimental approach in which an aggregate 42 milliseconds of all-atom molecular dynamics were used as an informative prior for the structure of the excited state ensemble. This prior was then refined against small-angle X-ray scattering (SAXS) data employing an established method (EROS). The most striking feature of the resulting excited state ensemble was an unstructured N-terminus stabilized by non-native contacts in a conformation that is topologically simpler than the native state. Using these results, we then predict incisive single molecule FRET experiments as a means of model validation. This study demonstrates the paradigm of uniting simulation and experiment in a statistical model to study the structure of protein excited states and rationally design validating experiments.
A Maximum Likelihood Ensemble Data Assimilation Method Tailored to the Inner Radiation Belt
NASA Astrophysics Data System (ADS)
Guild, T. B.; O'Brien, T. P., III; Mazur, J. E.
2014-12-01
The Earth's radiation belts are composed of energetic protons and electrons whose fluxes span many orders of magnitude, whose distributions are log-normal, and where data-model differences can be large and also log-normal. This physical system thus challenges standard data assimilation methods relying on underlying assumptions of Gaussian distributions of measurements and data-model differences, where innovations to the model are small. We have therefore developed a data assimilation method tailored to these properties of the inner radiation belt, analogous to the ensemble Kalman filter but for the unique cases of non-Gaussian model and measurement errors, and non-linear model and measurement distributions. We apply this method to the inner radiation belt proton populations, using the SIZM inner belt model [Selesnick et al., 2007] and SAMPEX/PET and HEO proton observations to select the most likely ensemble members contributing to the state of the inner belt. We will describe the algorithm, the method of generating ensemble members, our choice of minimizing the difference between instrument counts not phase space densities, and demonstrate the method with our reanalysis of the inner radiation belt throughout solar cycle 23. We will report on progress to continue our assimilation into solar cycle 24 using the Van Allen Probes/RPS observations.
Simulating ensembles of source water quality using a K-nearest neighbor resampling approach.
Towler, Erin; Rajagopalan, Balaji; Seidel, Chad; Summers, R Scott
2009-03-01
Climatological, geological, and water management factors can cause significant variability in surface water quality. As drinking water quality standards become more stringent, the ability to quantify the variability of source water quality becomes more important for decision-making and planning in water treatment for regulatory compliance. However, paucity of long-term water quality data makes it challenging to apply traditional simulation techniques. To overcome this limitation, we have developed and applied a robust nonparametric K-nearest neighbor (K-nn) bootstrap approach utilizing the United States Environmental Protection Agency's Information Collection Rule (ICR) data. In this technique, first an appropriate "feature vector" is formed from the best available explanatory variables. The nearest neighbors to the feature vector are identified from the ICR data and are resampled using a weight function. Repetition of this results in water quality ensembles, and consequently the distribution and the quantification of the variability. The main strengths of the approach are its flexibility, simplicity, and the ability to use a large amount of spatial data with limited temporal extent to provide water quality ensembles for any given location. We demonstrate this approach by applying it to simulate monthly ensembles of total organic carbon for two utilities in the U.S. with very different watersheds and to alkalinity and bromide at two other U.S. utilities.
DNA origami as biocompatible surface to match single-molecule and ensemble experiments
Gietl, Andreas; Holzmeister, Phil; Grohmann, Dina; Tinnefeld, Philip
2012-01-01
Single-molecule experiments on immobilized molecules allow unique insights into the dynamics of molecular machines and enzymes as well as their interactions. The immobilization, however, can invoke perturbation to the activity of biomolecules causing incongruities between single molecule and ensemble measurements. Here we introduce the recently developed DNA origami as a platform to transfer ensemble assays to the immobilized single molecule level without changing the nano-environment of the biomolecules. The idea is a stepwise transfer of common functional assays first to the surface of a DNA origami, which can be checked at the ensemble level, and then to the microscope glass slide for single-molecule inquiry using the DNA origami as a transfer platform. We studied the structural flexibility of a DNA Holliday junction and the TATA-binding protein (TBP)-induced bending of DNA both on freely diffusing molecules and attached to the origami structure by fluorescence resonance energy transfer. This resulted in highly congruent data sets demonstrating that the DNA origami does not influence the functionality of the biomolecule. Single-molecule data collected from surface-immobilized biomolecule-loaded DNA origami are in very good agreement with data from solution measurements supporting the fact that the DNA origami can be used as biocompatible surface in many fluorescence-based measurements. PMID:22523083
A Dynamic Ensemble Framework for Mining Textual Streams with Class Imbalance
Song, Ge
2014-01-01
Textual stream classification has become a realistic and challenging issue since large-scale, high-dimensional, and non-stationary streams with class imbalance have been widely used in various real-life applications. According to the characters of textual streams, it is technically difficult to deal with the classification of textual stream, especially in imbalanced environment. In this paper, we propose a new ensemble framework, clustering forest, for learning from the textual imbalanced stream with concept drift (CFIM). The CFIM is based on ensemble learning by integrating a set of clustering trees (CTs). An adaptive selection method, which flexibly chooses the useful CTs by the property of the stream, is presented in CFIM. In particular, to deal with the problem of class imbalance, we collect and reuse both rare-class instances and misclassified instances from the historical chunks. Compared to most existing approaches, it is worth pointing out that our approach assumes that both majority class and rareclass may suffer from concept drift. Thus the distribution of resampled instances is similar to the current concept. The effectiveness of CFIM is examined in five real-world textual streams under an imbalanced nonstationary environment. Experimental results demonstrate that CFIM achieves better performance than four state-of-the-art ensemble models. PMID:24982961
Stochastic dynamics and mechanosensitivity of myosin II minifilaments
NASA Astrophysics Data System (ADS)
Albert, Philipp J.; Erdmann, Thorsten; Schwarz, Ulrich S.
2014-09-01
Tissue cells are in a state of permanent mechanical tension that is maintained mainly by myosin II minifilaments, which are bipolar assemblies of tens of myosin II molecular motors contracting actin networks and bundles. Here we introduce a stochastic model for myosin II minifilaments as two small myosin II motor ensembles engaging in a stochastic tug-of-war. Each of the two ensembles is described by the parallel cluster model that allows us to use exact stochastic simulations and at the same time to keep important molecular details of the myosin II cross-bridge cycle. Our simulation and analytical results reveal a strong dependence of myosin II minifilament dynamics on environmental stiffness that is reminiscent of the cellular response to substrate stiffness. For small stiffness, minifilaments form transient crosslinks exerting short spikes of force with negligible mean. For large stiffness, minifilaments form near permanent crosslinks exerting a mean force which hardly depends on environmental elasticity. This functional switch arises because dissociation after the power stroke is suppressed by force (catch bonding) and because ensembles can no longer perform the power stroke at large forces. Symmetric myosin II minifilaments perform a random walk with an effective diffusion constant which decreases with increasing ensemble size, as demonstrated for rigid substrates with an analytical treatment.
NASA Astrophysics Data System (ADS)
Wang, S.; Ancell, B. C.; Huang, G. H.; Baetz, B. W.
2018-03-01
Data assimilation using the ensemble Kalman filter (EnKF) has been increasingly recognized as a promising tool for probabilistic hydrologic predictions. However, little effort has been made to conduct the pre- and post-processing of assimilation experiments, posing a significant challenge in achieving the best performance of hydrologic predictions. This paper presents a unified data assimilation framework for improving the robustness of hydrologic ensemble predictions. Statistical pre-processing of assimilation experiments is conducted through the factorial design and analysis to identify the best EnKF settings with maximized performance. After the data assimilation operation, statistical post-processing analysis is also performed through the factorial polynomial chaos expansion to efficiently address uncertainties in hydrologic predictions, as well as to explicitly reveal potential interactions among model parameters and their contributions to the predictive accuracy. In addition, the Gaussian anamorphosis is used to establish a seamless bridge between data assimilation and uncertainty quantification of hydrologic predictions. Both synthetic and real data assimilation experiments are carried out to demonstrate feasibility and applicability of the proposed methodology in the Guadalupe River basin, Texas. Results suggest that statistical pre- and post-processing of data assimilation experiments provide meaningful insights into the dynamic behavior of hydrologic systems and enhance robustness of hydrologic ensemble predictions.
NASA Astrophysics Data System (ADS)
Hu, Jianlin; Li, Xun; Huang, Lin; Ying, Qi; Zhang, Qiang; Zhao, Bin; Wang, Shuxiao; Zhang, Hongliang
2017-11-01
Accurate exposure estimates are required for health effect analyses of severe air pollution in China. Chemical transport models (CTMs) are widely used to provide spatial distribution, chemical composition, particle size fractions, and source origins of air pollutants. The accuracy of air quality predictions in China is greatly affected by the uncertainties of emission inventories. The Community Multiscale Air Quality (CMAQ) model with meteorological inputs from the Weather Research and Forecasting (WRF) model were used in this study to simulate air pollutants in China in 2013. Four simulations were conducted with four different anthropogenic emission inventories, including the Multi-resolution Emission Inventory for China (MEIC), the Emission Inventory for China by School of Environment at Tsinghua University (SOE), the Emissions Database for Global Atmospheric Research (EDGAR), and the Regional Emission inventory in Asia version 2 (REAS2). Model performance of each simulation was evaluated against available observation data from 422 sites in 60 cities across China. Model predictions of O3 and PM2.5 generally meet the model performance criteria, but performance differences exist in different regions, for different pollutants, and among inventories. Ensemble predictions were calculated by linearly combining the results from different inventories to minimize the sum of the squared errors between the ensemble results and the observations in all cities. The ensemble concentrations show improved agreement with observations in most cities. The mean fractional bias (MFB) and mean fractional errors (MFEs) of the ensemble annual PM2.5 in the 60 cities are -0.11 and 0.24, respectively, which are better than the MFB (-0.25 to -0.16) and MFE (0.26-0.31) of individual simulations. The ensemble annual daily maximum 1 h O3 (O3-1h) concentrations are also improved, with mean normalized bias (MNB) of 0.03 and mean normalized errors (MNE) of 0.14, compared to MNB of 0.06-0.19 and MNE of 0.16-0.22 of the individual predictions. The ensemble predictions agree better with observations with daily, monthly, and annual averaging times in all regions of China for both PM2.5 and O3-1h. The study demonstrates that ensemble predictions from combining predictions from individual emission inventories can improve the accuracy of predicted temporal and spatial distributions of air pollutants. This study is the first ensemble model study in China using multiple emission inventories, and the results are publicly available for future health effect studies.
Stochastic Magnetization Dynamics In Patterned Nanostructures
NASA Astrophysics Data System (ADS)
Rowlands, Graham E.
This dissertation details the study of magnetization dynamics in nanoscale magnetic heterostructures. In particular, a spin polarized direct current may be used to drive a single layer's magnetization away from its equilibrium orientation onto strongly non-linear precessional trajectories that are highly susceptible to thermal fluctuations. Through magnetoresistance with an additional ferromagnetic layer in the structure, these oscillations generate microwave frequency voltage oscillations that can be read off electrically. I demonstrate a time-domain experimental method which enables the reconstruction of the statistical ensemble of trajectories taken by the magnetization in such a layer. This method provides greater insight into the dynamics than is attainable with frequency domain analysis. I subsequently demonstrate how an analytical method based on a Fokker-Planck description of the oscillator's effective energy coordinate may be used to reproduce these same ensemble distributions, thereby facilitating a direct comparison to experiment. Furthermore, this analytical approach may be extended to produce accurate predictions for the spectral properties of these oscillations. I present two additional studies of devices constructed to make use of this non-equilibrium spin-torque. The first device is a candidate memory element which provides a non-volatile replacement for current RAM technologies. Its magnetization is switched between two stable orientations by spin-polarized currents originating from a pair of orthogonally oriented magnetic layers. This polarizer configuration reduces the switching time to approximately 100ps from the nanoseconds required with use of a single in-plane polarizer. The second device is a spin torque oscillator employing two counter-precessing magnetic layers which produce voltage oscillations through their mutual magnetoresistance at the sum of the frequencies of the individual layers. This system exhibits a strong dependence on the strength of the Gilbert damping, and a full set of micromagnetic simulations is performed to map out the system's phase diagram in current-damping space.
NASA Astrophysics Data System (ADS)
Tsai, Hsiao-Chung; Chen, Pang-Cheng; Elsberry, Russell L.
2017-04-01
The objective of this study is to evaluate the predictability of the extended-range forecasts of tropical cyclone (TC) in the western North Pacific using reforecasts from National Centers for Environmental Prediction (NCEP) Global Ensemble Forecast System (GEFS) during 1996-2015, and from the Climate Forecast System (CFS) during 1999-2010. Tsai and Elsberry have demonstrated that an opportunity exists to support hydrological operations by using the extended-range TC formation and track forecasts in the western North Pacific from the ECMWF 32-day ensemble. To demonstrate this potential for the decision-making processes regarding water resource management and hydrological operation in Taiwan reservoir watershed areas, special attention is given to the skill of the NCEP GEFS and CFS models in predicting the TCs affecting the Taiwan area. The first objective of this study is to analyze the skill of NCEP GEFS and CFS TC forecasts and quantify the forecast uncertainties via verifications of categorical binary forecasts and probabilistic forecasts. The second objective is to investigate the relationships among the large-scale environmental factors [e.g., El Niño Southern Oscillation (ENSO), Madden-Julian Oscillation (MJO), etc.] and the model forecast errors by using the reforecasts. Preliminary results are indicating that the skill of the TC activity forecasts based on the raw forecasts can be further improved if the model biases are minimized by utilizing these reforecasts.
Perceiving groups: The people perception of diversity and hierarchy.
Phillips, L Taylor; Slepian, Michael L; Hughes, Brent L
2018-05-01
The visual perception of individuals has received considerable attention (visual person perception), but little social psychological work has examined the processes underlying the visual perception of groups of people (visual people perception). Ensemble-coding is a visual mechanism that automatically extracts summary statistics (e.g., average size) of lower-level sets of stimuli (e.g., geometric figures), and also extends to the visual perception of groups of faces. Here, we consider whether ensemble-coding supports people perception, allowing individuals to form rapid, accurate impressions about groups of people. Across nine studies, we demonstrate that people visually extract high-level properties (e.g., diversity, hierarchy) that are unique to social groups, as opposed to individual persons. Observers rapidly and accurately perceived group diversity and hierarchy, or variance across race, gender, and dominance (Studies 1-3). Further, results persist when observers are given very short display times, backward pattern masks, color- and contrast-controlled stimuli, and absolute versus relative response options (Studies 4a-7b), suggesting robust effects supported specifically by ensemble-coding mechanisms. Together, we show that humans can rapidly and accurately perceive not only individual persons, but also emergent social information unique to groups of people. These people perception findings demonstrate the importance of visual processes for enabling people to perceive social groups and behave effectively in group-based social interactions. (PsycINFO Database Record (c) 2018 APA, all rights reserved).
Hampson, Robert E.; Song, Dong; Chan, Rosa H.M.; Sweatt, Andrew J.; Riley, Mitchell R.; Gerhardt, Gregory A.; Shin, Dae C.; Marmarelis, Vasilis Z.; Berger, Theodore W.; Deadwyler, Samuel A.
2012-01-01
Collaborative investigations have characterized how multineuron hippocampal ensembles encode memory necessary for subsequent successful performance by rodents in a delayed nonmatch to sample (DNMS) task and utilized that information to provide the basis for a memory prosthesis to enhance performance. By employing a unique nonlinear dynamic multi-input/multi-output (MIMO) model, developed and adapted to hippocampal neural ensemble firing patterns derived from simultaneous recorded CA1 and CA3 activity, it was possible to extract information encoded in the sample phase necessary for successful performance in the nonmatch phase of the task. The extension of this MIMO model to online delivery of electrical stimulation delivered to the same recording loci that mimicked successful CA1 firing patterns, provided the means to increase levels of performance on a trial-by-trial basis. Inclusion of several control procedures provides evidence for the specificity of effective MIMO model generated patterns of electrical stimulation. Increased utility of the MIMO model as a prosthesis device was exhibited by the demonstration of cumulative increases in DNMS task performance with repeated MIMO stimulation over many sessions on both stimulation and nonstimulation trials, suggesting overall system modification with continued exposure. Results reported here are compatible with and extend prior demonstrations and further support the candidacy of the MIMO model as an effective cortical prosthesis. PMID:22438334
NASA Astrophysics Data System (ADS)
Monroe, Jacob I.; Shirts, Michael R.
2014-04-01
Molecular containers such as cucurbit[7]uril (CB7) and the octa-acid (OA) host are ideal simplified model test systems for optimizing and analyzing methods for computing free energies of binding intended for use with biologically relevant protein-ligand complexes. To this end, we have performed initially blind free energy calculations to determine the free energies of binding for ligands of both the CB7 and OA hosts. A subset of the selected guest molecules were those included in the SAMPL4 prediction challenge. Using expanded ensemble simulations in the dimension of coupling host-guest intermolecular interactions, we are able to show that our estimates in most cases can be demonstrated to fully converge and that the errors in our estimates are due almost entirely to the assigned force field parameters and the choice of environmental conditions used to model experiment. We confirm the convergence through the use of alternative simulation methodologies and thermodynamic pathways, analyzing sampled conformations, and directly observing changes of the free energy with respect to simulation time. Our results demonstrate the benefits of enhanced sampling of multiple local free energy minima made possible by the use of expanded ensemble molecular dynamics and may indicate the presence of significant problems with current transferable force fields for organic molecules when used for calculating binding affinities, especially in non-protein chemistries.
Monroe, Jacob I; Shirts, Michael R
2014-04-01
Molecular containers such as cucurbit[7]uril (CB7) and the octa-acid (OA) host are ideal simplified model test systems for optimizing and analyzing methods for computing free energies of binding intended for use with biologically relevant protein-ligand complexes. To this end, we have performed initially blind free energy calculations to determine the free energies of binding for ligands of both the CB7 and OA hosts. A subset of the selected guest molecules were those included in the SAMPL4 prediction challenge. Using expanded ensemble simulations in the dimension of coupling host-guest intermolecular interactions, we are able to show that our estimates in most cases can be demonstrated to fully converge and that the errors in our estimates are due almost entirely to the assigned force field parameters and the choice of environmental conditions used to model experiment. We confirm the convergence through the use of alternative simulation methodologies and thermodynamic pathways, analyzing sampled conformations, and directly observing changes of the free energy with respect to simulation time. Our results demonstrate the benefits of enhanced sampling of multiple local free energy minima made possible by the use of expanded ensemble molecular dynamics and may indicate the presence of significant problems with current transferable force fields for organic molecules when used for calculating binding affinities, especially in non-protein chemistries.
A comparison of breeding and ensemble transform vectors for global ensemble generation
NASA Astrophysics Data System (ADS)
Deng, Guo; Tian, Hua; Li, Xiaoli; Chen, Jing; Gong, Jiandong; Jiao, Meiyan
2012-02-01
To compare the initial perturbation techniques using breeding vectors and ensemble transform vectors, three ensemble prediction systems using both initial perturbation methods but with different ensemble member sizes based on the spectral model T213/L31 are constructed at the National Meteorological Center, China Meteorological Administration (NMC/CMA). A series of ensemble verification scores such as forecast skill of the ensemble mean, ensemble resolution, and ensemble reliability are introduced to identify the most important attributes of ensemble forecast systems. The results indicate that the ensemble transform technique is superior to the breeding vector method in light of the evaluation of anomaly correlation coefficient (ACC), which is a deterministic character of the ensemble mean, the root-mean-square error (RMSE) and spread, which are of probabilistic attributes, and the continuous ranked probability score (CRPS) and its decomposition. The advantage of the ensemble transform approach is attributed to its orthogonality among ensemble perturbations as well as its consistence with the data assimilation system. Therefore, this study may serve as a reference for configuration of the best ensemble prediction system to be used in operation.
NASA Astrophysics Data System (ADS)
Huang, Ling; Luo, Yali
2017-08-01
Based on The Observing System Research and Predictability Experiment Interactive Grand Global Ensemble (TIGGE) data set, this study evaluates the ability of global ensemble prediction systems (EPSs) from the European Centre for Medium-Range Weather Forecasts (ECMWF), U.S. National Centers for Environmental Prediction, Japan Meteorological Agency (JMA), Korean Meteorological Administration, and China Meteorological Administration (CMA) to predict presummer rainy season (April-June) precipitation in south China. Evaluation of 5 day forecasts in three seasons (2013-2015) demonstrates the higher skill of probability matching forecasts compared to simple ensemble mean forecasts and shows that the deterministic forecast is a close second. The EPSs overestimate light-to-heavy rainfall (0.1 to 30 mm/12 h) and underestimate heavier rainfall (>30 mm/12 h), with JMA being the worst. By analyzing the synoptic situations predicted by the identified more skillful (ECMWF) and less skillful (JMA and CMA) EPSs and the ensemble sensitivity for four representative cases of torrential rainfall, the transport of warm-moist air into south China by the low-level southwesterly flow, upstream of the torrential rainfall regions, is found to be a key synoptic factor that controls the quantitative precipitation forecast. The results also suggest that prediction of locally produced torrential rainfall is more challenging than prediction of more extensively distributed torrential rainfall. A slight improvement in the performance is obtained by shortening the forecast lead time from 30-36 h to 18-24 h to 6-12 h for the cases with large-scale forcing, but not for the locally produced cases.
Möbius domain-wall fermions on gradient-flowed dynamical HISQ ensembles
NASA Astrophysics Data System (ADS)
Berkowitz, Evan; Bouchard, Chris; Chang, Chia Cheng; Clark, M. A.; Joó, Bálint; Kurth, Thorsten; Monahan, Christopher; Nicholson, Amy; Orginos, Kostas; Rinaldi, Enrico; Vranas, Pavlos; Walker-Loud, André
2017-09-01
We report on salient features of a mixed lattice QCD action using valence Möbius domain-wall fermions solved on the dynamical Nf=2 +1 +1 highly improved staggered quark sea-quark ensembles generated by the MILC Collaboration. The approximate chiral symmetry properties of the valence fermions are shown to be significantly improved by utilizing the gradient-flow scheme to first smear the highly improved staggered quark configurations. The greater numerical cost of the Möbius domain-wall inversions is mitigated by the highly efficient QUDA library optimized for NVIDIA GPU accelerated compute nodes. We have created an interface to this optimized QUDA solver in Chroma. We provide tuned parameters of the action and performance of QUDA using ensembles with the lattice spacings a ≃{0.15 ,0.12 ,0.09 } fm and pion masses mπ≃{310 ,220 ,130 } MeV . We have additionally generated two new ensembles with a ˜0.12 fm and mπ˜{400 ,350 } MeV . With a fixed flow time of tg f=1 in lattice units, the residual chiral symmetry breaking of the valence fermions is kept below 10% of the light quark mass on all ensembles, mres≲0.1 ×ml , with moderate values of the fifth dimension L5 and a domain-wall height M5≤1.3 . As a benchmark calculation, we perform a continuum, infinite volume, physical pion and kaon mass extrapolation of FK±/Fπ± and demonstrate our results are independent of flow time and consistent with the FLAG determination of this quantity at the level of less than one standard deviation.
NASA Astrophysics Data System (ADS)
Moore, B. J.; Bosart, L. F.; Keyser, D.
2013-12-01
During late October 2007, the interaction between a deep polar trough and Tropical Cyclone (TC) Kajiki off the eastern Asian coast perturbed the North Pacific jet stream and resulted in the development of a high-amplitude Rossby wave train extending into North America, contributing to three concurrent high-impact weather events in North America: wildfires in southern California associated with strong Santa Ana winds, a cold surge into eastern Mexico, and widespread heavy rainfall (~150 mm) in the south-central United States. Observational analysis indicates that these high-impact weather events were all dynamically linked with the development of a major high-latitude ridge over the eastern North Pacific and western North America and a deep trough over central North America. In this study, global operational ensemble forecasts from the European Centre for Medium-Range Weather Forecasts (ECMWF) obtained from The Observing System Research and Predictability Experiment (THORPEX) Interactive Grand Global Ensemble (TIGGE) archive are used to characterize the medium-range predictability of the large-scale flow pattern associated with the three events and to diagnose the large-scale atmospheric processes favorable, or unfavorable, for the occurrence of the three events. Examination of the ECMWF forecasts leading up to the time period of the three high-impact weather events (~23-25 October 2007) indicates that ensemble spread (i.e., uncertainty) in the 500-hPa geopotential height field develops in connection with downstream baroclinic development (DBD) across the North Pacific, associated with the interaction between TC Kajiki and the polar trough along the eastern Asian coast, and subsequently moves downstream into North America, yielding considerable uncertainty with respect to the structure, amplitude, and position of the ridge-trough pattern over North America. Ensemble sensitivity analysis conducted for key sensible weather parameters corresponding to the three high-impact weather events, including relative humidity, temperature, and precipitation, demonstrates quantitatively that all three high-impact weather events are closely linked with the development of the ridge-trough pattern over North America. Moreover, results of this analysis indicate that the development of the ridge-trough pattern is modulated by DBD and cyclogenesis upstream over the central and eastern North Pacific. Specifically, ensemble members exhibiting less intense cyclogenesis and a more poleward cyclone track over the central and eastern North Pacific feature the development of a poleward-displaced ridge over the eastern North Pacific and western North America and a cut-off low over the Intermountain West, an unfavorable scenario for the occurrence the three high-impact weather events. Conversely, ensemble members exhibiting more intense cyclogenesis and a less poleward cyclone track feature persistent ridging along the western coast of North America and trough development over central North America, establishing a favorable flow pattern for the three high-impact weather events. Results demonstrate that relatively small initial differences in the large-scale flow pattern over the North Pacific among ensemble members can result in large uncertainty in the forecast downstream flow response over North America.
Microfluidic mixing for non-equilibrium single-molecule optical spectroscopy
NASA Astrophysics Data System (ADS)
Pfeil, Shawn H.
We describe a series of experiments made possible by the combination of single-molecule fluorescence spectroscopy and microfluidic mixing. To perform these measurements, a microfluidic sample handling system was developed and characterized. This system allows observation at times as early as 2.4 ms after a reaction is triggered, which is an more than an order of magnitude earlier than previous microfabricated devices. Dilutions as high as 1:19 (v/v) are achieved, allowing measurements of molecular refolding in native conditions. The interconversion of subpopulations, masked by averaging in ensemble measurements, is observed. This technology also facilitates ultra-sensitive chemiluminescence measurements, using only microliters of sample. Microfluidics are designed and fabricated to extend single-molecule measurements to samples out of equilibrium. The system is optimized for sensitive optical detection and experimental convenience. Channels are replica-molded in poly-dimethyl-siloxane (PDMS) elastomer and sealed to coverglass. The resulting devices are compatible with a broad range of chemicals, and exhibit low background fluorescence. The combination of continuous flow, which decouples reaction progress from measurement duration, with low background enables single molecules to be probed at well defined times after a reaction is triggered. Fluid delivery and pressure connections are made using an interface optimized for rapid assembly, rapid sample exchange, and modular device replacement, while providing access for high numerical aperture optics. The kinetics of Csp, the cold shock protein from Thermotoga maritima, are studied with the mixer. An order of magnitude decrease in deadtime puts a new upper limit of 4.6 ms on the time required for collapse after mixing. This result is in agreement with indirect measurements of chain reconfiguration time, which suggest collapse happens on the timescale of 10--100 ns. Measurements of the kinetics of a DNA sequence that binds cocaine put a lower bound on its folding rate of 100 s-1. Single-Molecule measurements at equilibrium, in conjunction with ensemble measurements, demonstrate that this system can be described thermodynamically with a two-state model. In addition, standard free energy changes for folding, in the presence and absence of 1 mM cocaine, are obtained. Ensemble chemiluminescence experiments demonstrate the broad applicability of themixing system. The luciferase-luciferin system from Photinus pyralis, the North American firefly, is studied. Kinetically resolved chemiluminescence measurements are performed using only 50 femtomoles of target, and microliters of sample. This compares favorably to stopped-flow, which requires milliliters of sample and picomoles of target.
Yu, Hualong; Hong, Shufang; Yang, Xibei; Ni, Jun; Dan, Yuanyuan; Qin, Bin
2013-01-01
DNA microarray technology can measure the activities of tens of thousands of genes simultaneously, which provides an efficient way to diagnose cancer at the molecular level. Although this strategy has attracted significant research attention, most studies neglect an important problem, namely, that most DNA microarray datasets are skewed, which causes traditional learning algorithms to produce inaccurate results. Some studies have considered this problem, yet they merely focus on binary-class problem. In this paper, we dealt with multiclass imbalanced classification problem, as encountered in cancer DNA microarray, by using ensemble learning. We utilized one-against-all coding strategy to transform multiclass to multiple binary classes, each of them carrying out feature subspace, which is an evolving version of random subspace that generates multiple diverse training subsets. Next, we introduced one of two different correction technologies, namely, decision threshold adjustment or random undersampling, into each training subset to alleviate the damage of class imbalance. Specifically, support vector machine was used as base classifier, and a novel voting rule called counter voting was presented for making a final decision. Experimental results on eight skewed multiclass cancer microarray datasets indicate that unlike many traditional classification approaches, our methods are insensitive to class imbalance.
Dynamically adaptive data-driven simulation of extreme hydrological flows
NASA Astrophysics Data System (ADS)
Kumar Jain, Pushkar; Mandli, Kyle; Hoteit, Ibrahim; Knio, Omar; Dawson, Clint
2018-02-01
Hydrological hazards such as storm surges, tsunamis, and rainfall-induced flooding are physically complex events that are costly in loss of human life and economic productivity. Many such disasters could be mitigated through improved emergency evacuation in real-time and through the development of resilient infrastructure based on knowledge of how systems respond to extreme events. Data-driven computational modeling is a critical technology underpinning these efforts. This investigation focuses on the novel combination of methodologies in forward simulation and data assimilation. The forward geophysical model utilizes adaptive mesh refinement (AMR), a process by which a computational mesh can adapt in time and space based on the current state of a simulation. The forward solution is combined with ensemble based data assimilation methods, whereby observations from an event are assimilated into the forward simulation to improve the veracity of the solution, or used to invert for uncertain physical parameters. The novelty in our approach is the tight two-way coupling of AMR and ensemble filtering techniques. The technology is tested using actual data from the Chile tsunami event of February 27, 2010. These advances offer the promise of significantly transforming data-driven, real-time modeling of hydrological hazards, with potentially broader applications in other science domains.
Shukla, Shraddhanand; Funk, Christopher C.; Hoell, Andrew
2014-01-01
In this study we implement and evaluate a simple 'hybrid' forecast approach that uses constructed analogs (CA) to improve the National Multi-Model Ensemble's (NMME) March–April–May (MAM) precipitation forecasts over equatorial eastern Africa (hereafter referred to as EA, 2°S to 8°N and 36°E to 46°E). Due to recent declines in MAM rainfall, increases in population, land degradation, and limited technological advances, this region has become a recent epicenter of food insecurity. Timely and skillful precipitation forecasts for EA could help decision makers better manage their limited resources, mitigate socio-economic losses, and potentially save human lives. The 'hybrid approach' described in this study uses the CA method to translate dynamical precipitation and sea surface temperature (SST) forecasts over the Indian and Pacific Oceans (specifically 30°S to 30°N and 30°E to 270°E) into terrestrial MAM precipitation forecasts over the EA region. In doing so, this approach benefits from the post-1999 teleconnection that exists between precipitation and SSTs over the Indian and tropical Pacific Oceans (Indo-Pacific) and EA MAM rainfall. The coupled atmosphere-ocean dynamical forecasts used in this study were drawn from the NMME. We demonstrate that while the MAM precipitation forecasts (initialized in February) skill of the NMME models over the EA region itself is negligible, the ranked probability skill score of hybrid CA forecasts based on Indo-Pacific NMME precipitation and SST forecasts reach up to 0.45.
Predicting X-ray diffuse scattering from translation–libration–screw structural ensembles
DOE Office of Scientific and Technical Information (OSTI.GOV)
Van Benschoten, Andrew H.; Afonine, Pavel V.; Terwilliger, Thomas C.
2015-07-28
A method of simulating X-ray diffuse scattering from multi-model PDB files is presented. Despite similar agreement with Bragg data, different translation–libration–screw refinement strategies produce unique diffuse intensity patterns. Identifying the intramolecular motions of proteins and nucleic acids is a major challenge in macromolecular X-ray crystallography. Because Bragg diffraction describes the average positional distribution of crystalline atoms with imperfect precision, the resulting electron density can be compatible with multiple models of motion. Diffuse X-ray scattering can reduce this degeneracy by reporting on correlated atomic displacements. Although recent technological advances are increasing the potential to accurately measure diffuse scattering, computational modeling andmore » validation tools are still needed to quantify the agreement between experimental data and different parameterizations of crystalline disorder. A new tool, phenix.diffuse, addresses this need by employing Guinier’s equation to calculate diffuse scattering from Protein Data Bank (PDB)-formatted structural ensembles. As an example case, phenix.diffuse is applied to translation–libration–screw (TLS) refinement, which models rigid-body displacement for segments of the macromolecule. To enable the calculation of diffuse scattering from TLS-refined structures, phenix.tls-as-xyz builds multi-model PDB files that sample the underlying T, L and S tensors. In the glycerophosphodiesterase GpdQ, alternative TLS-group partitioning and different motional correlations between groups yield markedly dissimilar diffuse scattering maps with distinct implications for molecular mechanism and allostery. These methods demonstrate how, in principle, X-ray diffuse scattering could extend macromolecular structural refinement, validation and analysis.« less
The Ensembl REST API: Ensembl Data for Any Language.
Yates, Andrew; Beal, Kathryn; Keenan, Stephen; McLaren, William; Pignatelli, Miguel; Ritchie, Graham R S; Ruffier, Magali; Taylor, Kieron; Vullo, Alessandro; Flicek, Paul
2015-01-01
We present a Web service to access Ensembl data using Representational State Transfer (REST). The Ensembl REST server enables the easy retrieval of a wide range of Ensembl data by most programming languages, using standard formats such as JSON and FASTA while minimizing client work. We also introduce bindings to the popular Ensembl Variant Effect Predictor tool permitting large-scale programmatic variant analysis independent of any specific programming language. The Ensembl REST API can be accessed at http://rest.ensembl.org and source code is freely available under an Apache 2.0 license from http://github.com/Ensembl/ensembl-rest. © The Author 2014. Published by Oxford University Press.
NASA Astrophysics Data System (ADS)
He, Q. Y.; Reid, M. D.
2013-06-01
Experiments have reported the entanglement of two spatially separated macroscopic atomic ensembles at room temperature (Krauter et al 2011 Phys. Rev. Lett. 107 080503; Julsgaard et al 2001 Nature 413 400). We show how an Einstein-Podolsky-Rosen (EPR) paradox is realizable with this experiment. Our proposed test involves violation of an inferred Heisenberg uncertainty principle, which is a sufficient condition for an EPR paradox. This is a stronger test of nonlocality than entanglement. Our proposal would enable the first definitive confirmation of quantum EPR paradox correlations between two macroscopic objects at room temperature. This is a necessary intermediate step towards a nonlocal experiment with causal measurement separations. As well as having fundamental significance, the realization of an atomic EPR paradox could provide a resource for novel applications in quantum technology.
Integrated optical dipole trap for cold neutral atoms with an optical waveguide coupler
NASA Astrophysics Data System (ADS)
Lee, J.; Park, D. H.; Mittal, S.; Dagenais, M.; Rolston, S. L.
2013-04-01
An integrated optical dipole trap uses two-color (red and blue-detuned) traveling evanescent wave fields for trapping cold neutral atoms. To achieve longitudinal confinement, we propose using an integrated optical waveguide coupler, which provides a potential gradient along the beam propagation direction sufficient to confine atoms. This integrated optical dipole trap can support an atomic ensemble with a large optical depth due to its small mode area. Its quasi-TE0 waveguide mode has an advantage over the HE11 mode of a nanofiber, with little inhomogeneous Zeeman broadening at the trapping region. The longitudinal confinement eliminates the need for a one dimensional optical lattice, reducing collisional blockaded atomic loading, potentially producing larger ensembles. The waveguide trap allows for scalability and integrability with nano-fabrication technology. We analyze the potential performance of such integrated atom traps.
Ensembl BioMarts: a hub for data retrieval across taxonomic space.
Kinsella, Rhoda J; Kähäri, Andreas; Haider, Syed; Zamora, Jorge; Proctor, Glenn; Spudich, Giulietta; Almeida-King, Jeff; Staines, Daniel; Derwent, Paul; Kerhornou, Arnaud; Kersey, Paul; Flicek, Paul
2011-01-01
For a number of years the BioMart data warehousing system has proven to be a valuable resource for scientists seeking a fast and versatile means of accessing the growing volume of genomic data provided by the Ensembl project. The launch of the Ensembl Genomes project in 2009 complemented the Ensembl project by utilizing the same visualization, interactive and programming tools to provide users with a means for accessing genome data from a further five domains: protists, bacteria, metazoa, plants and fungi. The Ensembl and Ensembl Genomes BioMarts provide a point of access to the high-quality gene annotation, variation data, functional and regulatory annotation and evolutionary relationships from genomes spanning the taxonomic space. This article aims to give a comprehensive overview of the Ensembl and Ensembl Genomes BioMarts as well as some useful examples and a description of current data content and future objectives. Database URLs: http://www.ensembl.org/biomart/martview/; http://metazoa.ensembl.org/biomart/martview/; http://plants.ensembl.org/biomart/martview/; http://protists.ensembl.org/biomart/martview/; http://fungi.ensembl.org/biomart/martview/; http://bacteria.ensembl.org/biomart/martview/.
Minimal ensemble based on subset selection using ECG to diagnose categories of CAN.
Abawajy, Jemal; Kelarev, Andrei; Yi, Xun; Jelinek, Herbert F
2018-07-01
Early diagnosis of cardiac autonomic neuropathy (CAN) is critical for reversing or decreasing its progression and prevent complications. Diagnostic accuracy or precision is one of the core requirements of CAN detection. As the standard Ewing battery tests suffer from a number of shortcomings, research in automating and improving the early detection of CAN has recently received serious attention in identifying additional clinical variables and designing advanced ensembles of classifiers to improve the accuracy or precision of CAN diagnostics. Although large ensembles are commonly proposed for the automated diagnosis of CAN, large ensembles are characterized by slow processing speed and computational complexity. This paper applies ECG features and proposes a new ensemble-based approach for diagnosis of CAN progression. We introduce a Minimal Ensemble Based On Subset Selection (MEBOSS) for the diagnosis of all categories of CAN including early, definite and atypical CAN. MEBOSS is based on a novel multi-tier architecture applying classifier subset selection as well as the training subset selection during several steps of its operation. Our experiments determined the diagnostic accuracy or precision obtained in 5 × 2 cross-validation for various options employed in MEBOSS and other classification systems. The experiments demonstrate the operation of the MEBOSS procedure invoking the most effective classifiers available in the open source software environment SageMath. The results of our experiments show that for the large DiabHealth database of CAN related parameters MEBOSS outperformed other classification systems available in SageMath and achieved 94% to 97% precision in 5 × 2 cross-validation correctly distinguishing any two CAN categories to a maximum of five categorizations including control, early, definite, severe and atypical CAN. These results show that MEBOSS architecture is effective and can be recommended for practical implementations in systems for the diagnosis of CAN progression. Copyright © 2018 Elsevier B.V. All rights reserved.
Wu, Xiongwu; Damjanovic, Ana; Brooks, Bernard R.
2013-01-01
This review provides a comprehensive description of the self-guided Langevin dynamics (SGLD) and the self-guided molecular dynamics (SGMD) methods and their applications. Example systems are included to provide guidance on optimal application of these methods in simulation studies. SGMD/SGLD has enhanced ability to overcome energy barriers and accelerate rare events to affordable time scales. It has been demonstrated that with moderate parameters, SGLD can routinely cross energy barriers of 20 kT at a rate that molecular dynamics (MD) or Langevin dynamics (LD) crosses 10 kT barriers. The core of these methods is the use of local averages of forces and momenta in a direct manner that can preserve the canonical ensemble. The use of such local averages results in methods where low frequency motion “borrows” energy from high frequency degrees of freedom when a barrier is approached and then returns that excess energy after a barrier is crossed. This self-guiding effect also results in an accelerated diffusion to enhance conformational sampling efficiency. The resulting ensemble with SGLD deviates in a small way from the canonical ensemble, and that deviation can be corrected with either an on-the-fly or a post processing reweighting procedure that provides an excellent canonical ensemble for systems with a limited number of accelerated degrees of freedom. Since reweighting procedures are generally not size extensive, a newer method, SGLDfp, uses local averages of both momenta and forces to preserve the ensemble without reweighting. The SGLDfp approach is size extensive and can be used to accelerate low frequency motion in large systems, or in systems with explicit solvent where solvent diffusion is also to be enhanced. Since these methods are direct and straightforward, they can be used in conjunction with many other sampling methods or free energy methods by simply replacing the integration of degrees of freedom that are normally sampled by MD or LD. PMID:23913991
Finite-size anomalies of the Drude weight: Role of symmetries and ensembles
NASA Astrophysics Data System (ADS)
Sánchez, R. J.; Varma, V. K.
2017-12-01
We revisit the numerical problem of computing the high temperature spin stiffness, or Drude weight, D of the spin-1 /2 X X Z chain using exact diagonalization to systematically analyze its dependence on system symmetries and ensemble. Within the canonical ensemble and for states with zero total magnetization, we find D vanishes exactly due to spin-inversion symmetry for all but the anisotropies Δ˜M N=cos(π M /N ) with N ,M ∈Z+ coprimes and N >M , provided system sizes L ≥2 N , for which states with different spin-inversion signature become degenerate due to the underlying s l2 loop algebra symmetry. All these loop-algebra degenerate states carry finite currents which we conjecture [based on data from the system sizes and anisotropies Δ˜M N (with N
Conformational and functional analysis of molecular dynamics trajectories by Self-Organising Maps
2011-01-01
Background Molecular dynamics (MD) simulations are powerful tools to investigate the conformational dynamics of proteins that is often a critical element of their function. Identification of functionally relevant conformations is generally done clustering the large ensemble of structures that are generated. Recently, Self-Organising Maps (SOMs) were reported performing more accurately and providing more consistent results than traditional clustering algorithms in various data mining problems. We present a novel strategy to analyse and compare conformational ensembles of protein domains using a two-level approach that combines SOMs and hierarchical clustering. Results The conformational dynamics of the α-spectrin SH3 protein domain and six single mutants were analysed by MD simulations. The Cα's Cartesian coordinates of conformations sampled in the essential space were used as input data vectors for SOM training, then complete linkage clustering was performed on the SOM prototype vectors. A specific protocol to optimize a SOM for structural ensembles was proposed: the optimal SOM was selected by means of a Taguchi experimental design plan applied to different data sets, and the optimal sampling rate of the MD trajectory was selected. The proposed two-level approach was applied to single trajectories of the SH3 domain independently as well as to groups of them at the same time. The results demonstrated the potential of this approach in the analysis of large ensembles of molecular structures: the possibility of producing a topological mapping of the conformational space in a simple 2D visualisation, as well as of effectively highlighting differences in the conformational dynamics directly related to biological functions. Conclusions The use of a two-level approach combining SOMs and hierarchical clustering for conformational analysis of structural ensembles of proteins was proposed. It can easily be extended to other study cases and to conformational ensembles from other sources. PMID:21569575
Generalized Gibbs ensembles for quantum field theories
NASA Astrophysics Data System (ADS)
Essler, F. H. L.; Mussardo, G.; Panfil, M.
2015-05-01
We consider the nonequilibrium dynamics in quantum field theories (QFTs). After being prepared in a density matrix that is not an eigenstate of the Hamiltonian, such systems are expected to relax locally to a stationary state. In the presence of local conservation laws, these stationary states are believed to be described by appropriate generalized Gibbs ensembles. Here we demonstrate that in order to obtain a correct description of the stationary state, it is necessary to take into account conservation laws that are not (ultra)local in the usual sense of QFTs, but fulfill a significantly weaker form of locality. We discuss the implications of our results for integrable QFTs in one spatial dimension.
Data mining for the analysis of hippocampal zones in Alzheimer's disease
NASA Astrophysics Data System (ADS)
Ovando Vázquez, Cesaré M.
2012-02-01
In this work, a methodology to classify people with Alzheimer's Disease (AD), Healthy Controls (HC) and people with Mild Cognitive Impairment (MCI) is presented. This methodology consists of an ensemble of Support Vector Machines (SVM) with the hippocampal boxes (HB) as input data, these hippocampal zones are taken from Magnetic Resonance (MRI) and Positron Emission Tomography (PET) images. Two ways of constructing this ensemble are presented, the first consists of linear SVM models and the second of non-linear SVM models. Results demonstrate that the linear models classify HBs more accurately than the non-linear models between HC and MCI and that there are no differences between HC and AD.
Fluorescence Quenching by TEMPO: A Sub-30 Å Single-Molecule Ruler
Zhu, Peizhi; Clamme, Jean-Pierre; Deniz, Ashok A.
2005-01-01
A series of DNA molecules labeled with 5-carboxytetramethylrhodamine (5-TAMRA) and the small nitroxide radical TEMPO were synthesized and tested to investigate whether the intramolecular quenching efficiency can be used to measure short intramolecular distances in small ensemble and single-molecule experiments. In combination with distance calculations using molecular mechanics modeling, the experimental results from steady-state ensemble fluorescence and fluorescence correlation spectroscopy measurements both show an exponential decrease in the quenching rate constant with the dye-quencher distance in the 10–30 Å range. The results demonstrate that TEMPO-5-TAMRA fluorescence quenching is a promising method to measure short distance changes within single biomolecules. PMID:16199509
Grecco, H E; Lidke, K A; Heintzmann, R; Lidke, D S; Spagnuolo, C; Martinez, O E; Jares-Erijman, E A; Jovin, T M
2004-11-01
In this work, we characterized streptavidin-conjugated quantum dots (QDs) manufactured by Quantum Dot Corporation. We present data on: (1) two-photon excitation; (2) fluorescence lifetimes; (3) ensemble and single QD emission anisotropy; (4) QDs as donors for Forster resonance energy transfer (FRET); and (5) spectral conversion of QDs exposed to high-intensity illumination. We also demonstrate the utility of QDs for (1) imaging the binding and uptake of biotinylated transferrin on living cells, and (2) resolving by fluorescence lifetime imaging microscopy (FLIM) signals originating from QDs from those of spatially and spectrally overlapping visible fluorescent proteins (VFPs). (c) 2005 Wiley-Liss, Inc.
Taylor, Hannah; Schmiedt, Joscha T.; Çarçak, Nihan; Onat, Filiz; Di Giovanni, Giuseppe; Lambert, Régis; Leresche, Nathalie; Crunelli, Vincenzo; David, Francois
2014-01-01
Background The advent of optogenetics has given neuroscientists the opportunity to excite or inhibit neuronal population activity with high temporal resolution and cellular selectivity. Thus, when combined with recordings of neuronal ensemble activity in freely moving animals optogenetics can provide an unprecedented snapshot of the contribution of neuronal assemblies to (patho)physiological conditions in vivo. Still, the combination of optogenetic and silicone probe (or tetrode) recordings does not allow investigation of the role played by voltage- and transmitter-gated channels of the opsin-transfected neurons and/or other adjacent neurons in controlling neuronal activity. New method and results We demonstrate that optogenetics and silicone probe recordings can be combined with intracerebral reverse microdialysis for the long-term delivery of neuroactive drugs around the optic fiber and silicone probe. In particular, we show the effect of antagonists of T-type Ca2+ channels, hyperpolarization-activated cyclic nucleotide-gated channels and metabotropic glutamate receptors on silicone probe-recorded activity of the local opsin-transfected neurons in the ventrobasal thalamus, and demonstrate the changes that the block of these thalamic channels/receptors brings about in the network dynamics of distant somatotopic cortical neuronal ensembles. Comparison with existing methods This is the first demonstration of successfully combining optogenetics and neuronal ensemble recordings with reverse microdialysis. This combination of techniques overcomes some of the disadvantages that are associated with the use of intracerebral injection of a drug-containing solution at the site of laser activation. Conclusions The combination of reverse microdialysis, silicone probe recordings and optogenetics can unravel the short and long-term effects of specific transmitter- and voltage-gated channels on laser-modulated firing at the site of optogenetic stimulation and the actions that these manipulations exert on distant neuronal populations. PMID:25004203
Taylor, Hannah; Schmiedt, Joscha T; Carçak, Nihan; Onat, Filiz; Di Giovanni, Giuseppe; Lambert, Régis; Leresche, Nathalie; Crunelli, Vincenzo; David, Francois
2014-09-30
The advent of optogenetics has given neuroscientists the opportunity to excite or inhibit neuronal population activity with high temporal resolution and cellular selectivity. Thus, when combined with recordings of neuronal ensemble activity in freely moving animals optogenetics can provide an unprecedented snapshot of the contribution of neuronal assemblies to (patho)physiological conditions in vivo. Still, the combination of optogenetic and silicone probe (or tetrode) recordings does not allow investigation of the role played by voltage- and transmitter-gated channels of the opsin-transfected neurons and/or other adjacent neurons in controlling neuronal activity. We demonstrate that optogenetics and silicone probe recordings can be combined with intracerebral reverse microdialysis for the long-term delivery of neuroactive drugs around the optic fiber and silicone probe. In particular, we show the effect of antagonists of T-type Ca(2+) channels, hyperpolarization-activated cyclic nucleotide-gated channels and metabotropic glutamate receptors on silicone probe-recorded activity of the local opsin-transfected neurons in the ventrobasal thalamus, and demonstrate the changes that the block of these thalamic channels/receptors brings about in the network dynamics of distant somatotopic cortical neuronal ensembles. This is the first demonstration of successfully combining optogenetics and neuronal ensemble recordings with reverse microdialysis. This combination of techniques overcomes some of the disadvantages that are associated with the use of intracerebral injection of a drug-containing solution at the site of laser activation. The combination of reverse microdialysis, silicone probe recordings and optogenetics can unravel the short and long-term effects of specific transmitter- and voltage-gated channels on laser-modulated firing at the site of optogenetic stimulation and the actions that these manipulations exert on distant neuronal populations. Copyright © 2014. Published by Elsevier B.V.
A Review of Mine Rescue Ensembles for Underground Coal Mining in the United States.
Kilinc, F Selcen; Monaghan, William D; Powell, Jeffrey B
The mining industry is among the top ten industries nationwide with high occupational injury and fatality rates, and mine rescue response may be considered one of the most hazardous activities in mining operations. In the aftermath of an underground mine fire, explosion or water inundation, specially equipped and trained teams have been sent underground to fight fires, rescue entrapped miners, test atmospheric conditions, investigate the causes of the disaster, or recover the dead. Special personal protective ensembles are used by the team members to improve the protection of rescuers against the hazards of mine rescue and recovery. Personal protective ensembles used by mine rescue teams consist of helmet, cap lamp, hood, gloves, protective clothing, boots, kneepads, facemask, breathing apparatus, belt, and suspenders. While improved technology such as wireless warning and communication systems, lifeline pulleys, and lighted vests have been developed for mine rescuers over the last 100 years, recent research in this area of personal protective ensembles has been minimal due to the trending of reduced exposure of rescue workers. In recent years, the exposure of mine rescue teams to hazardous situations has been changing. However, it is vital that members of the teams have the capability and proper protection to immediately respond to a wide range of hazardous situations. Currently, there are no minimum requirements, best practice documents, or nationally recognized consensus standards for protective clothing used by mine rescue teams in the United States (U.S.). The following review provides a summary of potential issues that can be addressed by rescue teams and industry to improve potential exposures to rescue team members should a disaster situation occur. However, the continued trending in the mining industry toward non-exposure to potential hazards for rescue workers should continue to be the primary goal. To assist in continuing this trend, the mining industry and regulatory agencies have been more restrictive by requiring additional post disaster information regarding atmospheric conditions and other hazards before exposing rescue workers and others in the aftermath of a mine disaster. In light of some of the more recent mine rescuer fatalities such as the Crandall Canyon Mine and Jim Walters Resources in the past years, the direction of reducing exposure is preferred. This review provides a historical perspective on ensembles used during mine rescue operations and summarizes environmental hazards, critical elements of mine rescue ensembles, and key problems with these elements. This study also identifies domains for improved mine rescue ensembles. Furthermore, field observations from several coal mine rescue teams were added to provide the information on the currently used mine rescue ensembles in the U.S.
A Review of Mine Rescue Ensembles for Underground Coal Mining in the United States
Kilinc, F. Selcen; Monaghan, William D.; Powell, Jeffrey B.
2016-01-01
The mining industry is among the top ten industries nationwide with high occupational injury and fatality rates, and mine rescue response may be considered one of the most hazardous activities in mining operations. In the aftermath of an underground mine fire, explosion or water inundation, specially equipped and trained teams have been sent underground to fight fires, rescue entrapped miners, test atmospheric conditions, investigate the causes of the disaster, or recover the dead. Special personal protective ensembles are used by the team members to improve the protection of rescuers against the hazards of mine rescue and recovery. Personal protective ensembles used by mine rescue teams consist of helmet, cap lamp, hood, gloves, protective clothing, boots, kneepads, facemask, breathing apparatus, belt, and suspenders. While improved technology such as wireless warning and communication systems, lifeline pulleys, and lighted vests have been developed for mine rescuers over the last 100 years, recent research in this area of personal protective ensembles has been minimal due to the trending of reduced exposure of rescue workers. In recent years, the exposure of mine rescue teams to hazardous situations has been changing. However, it is vital that members of the teams have the capability and proper protection to immediately respond to a wide range of hazardous situations. Currently, there are no minimum requirements, best practice documents, or nationally recognized consensus standards for protective clothing used by mine rescue teams in the United States (U.S.). The following review provides a summary of potential issues that can be addressed by rescue teams and industry to improve potential exposures to rescue team members should a disaster situation occur. However, the continued trending in the mining industry toward non-exposure to potential hazards for rescue workers should continue to be the primary goal. To assist in continuing this trend, the mining industry and regulatory agencies have been more restrictive by requiring additional post disaster information regarding atmospheric conditions and other hazards before exposing rescue workers and others in the aftermath of a mine disaster. In light of some of the more recent mine rescuer fatalities such as the Crandall Canyon Mine and Jim Walters Resources in the past years, the direction of reducing exposure is preferred. This review provides a historical perspective on ensembles used during mine rescue operations and summarizes environmental hazards, critical elements of mine rescue ensembles, and key problems with these elements. This study also identifies domains for improved mine rescue ensembles. Furthermore, field observations from several coal mine rescue teams were added to provide the information on the currently used mine rescue ensembles in the U.S. PMID:27065231
Data-driven reverse engineering of signaling pathways using ensembles of dynamic models.
Henriques, David; Villaverde, Alejandro F; Rocha, Miguel; Saez-Rodriguez, Julio; Banga, Julio R
2017-02-01
Despite significant efforts and remarkable progress, the inference of signaling networks from experimental data remains very challenging. The problem is particularly difficult when the objective is to obtain a dynamic model capable of predicting the effect of novel perturbations not considered during model training. The problem is ill-posed due to the nonlinear nature of these systems, the fact that only a fraction of the involved proteins and their post-translational modifications can be measured, and limitations on the technologies used for growing cells in vitro, perturbing them, and measuring their variations. As a consequence, there is a pervasive lack of identifiability. To overcome these issues, we present a methodology called SELDOM (enSEmbLe of Dynamic lOgic-based Models), which builds an ensemble of logic-based dynamic models, trains them to experimental data, and combines their individual simulations into an ensemble prediction. It also includes a model reduction step to prune spurious interactions and mitigate overfitting. SELDOM is a data-driven method, in the sense that it does not require any prior knowledge of the system: the interaction networks that act as scaffolds for the dynamic models are inferred from data using mutual information. We have tested SELDOM on a number of experimental and in silico signal transduction case-studies, including the recent HPN-DREAM breast cancer challenge. We found that its performance is highly competitive compared to state-of-the-art methods for the purpose of recovering network topology. More importantly, the utility of SELDOM goes beyond basic network inference (i.e. uncovering static interaction networks): it builds dynamic (based on ordinary differential equation) models, which can be used for mechanistic interpretations and reliable dynamic predictions in new experimental conditions (i.e. not used in the training). For this task, SELDOM's ensemble prediction is not only consistently better than predictions from individual models, but also often outperforms the state of the art represented by the methods used in the HPN-DREAM challenge.
NASA Astrophysics Data System (ADS)
Tamkin, G.; Schnase, J. L.; Duffy, D.; Li, J.; Strong, S.; Thompson, J. H.
2017-12-01
NASA's efforts to advance climate analytics-as-a-service are making new capabilities available to the research community: (1) A full-featured Reanalysis Ensemble Service (RES) comprising monthly means data from multiple reanalysis data sets, accessible through an enhanced set of extraction, analytic, arithmetic, and intercomparison operations. The operations are made accessible through NASA's climate data analytics Web services and our client-side Climate Data Services Python library, CDSlib; (2) A cloud-based, high-performance Virtual Real-Time Analytics Testbed supporting a select set of climate variables. This near real-time capability enables advanced technologies like Spark and Hadoop-based MapReduce analytics over native NetCDF files; and (3) A WPS-compliant Web service interface to our climate data analytics service that will enable greater interoperability with next-generation systems such as ESGF. The Reanalysis Ensemble Service includes the following: - New API that supports full temporal, spatial, and grid-based resolution services with sample queries - A Docker-ready RES application to deploy across platforms - Extended capabilities that enable single- and multiple reanalysis area average, vertical average, re-gridding, standard deviation, and ensemble averages - Convenient, one-stop shopping for commonly used data products from multiple reanalyses including basic sub-setting and arithmetic operations (e.g., avg, sum, max, min, var, count, anomaly) - Full support for the MERRA-2 reanalysis dataset in addition to, ECMWF ERA-Interim, NCEP CFSR, JMA JRA-55 and NOAA/ESRL 20CR… - A Jupyter notebook-based distribution mechanism designed for client use cases that combines CDSlib documentation with interactive scenarios and personalized project management - Supporting analytic services for NASA GMAO Forward Processing datasets - Basic uncertainty quantification services that combine heterogeneous ensemble products with comparative observational products (e.g., reanalysis, observational, visualization) - The ability to compute and visualize multiple reanalysis for ease of inter-comparisons - Automated tools to retrieve and prepare data collections for analytic processing
Data-driven reverse engineering of signaling pathways using ensembles of dynamic models
Henriques, David; Villaverde, Alejandro F.; Banga, Julio R.
2017-01-01
Despite significant efforts and remarkable progress, the inference of signaling networks from experimental data remains very challenging. The problem is particularly difficult when the objective is to obtain a dynamic model capable of predicting the effect of novel perturbations not considered during model training. The problem is ill-posed due to the nonlinear nature of these systems, the fact that only a fraction of the involved proteins and their post-translational modifications can be measured, and limitations on the technologies used for growing cells in vitro, perturbing them, and measuring their variations. As a consequence, there is a pervasive lack of identifiability. To overcome these issues, we present a methodology called SELDOM (enSEmbLe of Dynamic lOgic-based Models), which builds an ensemble of logic-based dynamic models, trains them to experimental data, and combines their individual simulations into an ensemble prediction. It also includes a model reduction step to prune spurious interactions and mitigate overfitting. SELDOM is a data-driven method, in the sense that it does not require any prior knowledge of the system: the interaction networks that act as scaffolds for the dynamic models are inferred from data using mutual information. We have tested SELDOM on a number of experimental and in silico signal transduction case-studies, including the recent HPN-DREAM breast cancer challenge. We found that its performance is highly competitive compared to state-of-the-art methods for the purpose of recovering network topology. More importantly, the utility of SELDOM goes beyond basic network inference (i.e. uncovering static interaction networks): it builds dynamic (based on ordinary differential equation) models, which can be used for mechanistic interpretations and reliable dynamic predictions in new experimental conditions (i.e. not used in the training). For this task, SELDOM’s ensemble prediction is not only consistently better than predictions from individual models, but also often outperforms the state of the art represented by the methods used in the HPN-DREAM challenge. PMID:28166222
Yang, Shan; Al-Hashimi, Hashim M.
2016-01-01
A growing number of studies employ time-averaged experimental data to determine dynamic ensembles of biomolecules. While it is well known that different ensembles can satisfy experimental data to within error, the extent and nature of these degeneracies, and their impact on the accuracy of the ensemble determination remains poorly understood. Here, we use simulations and a recently introduced metric for assessing ensemble similarity to explore degeneracies in determining ensembles using NMR residual dipolar couplings (RDCs) with specific application to A-form helices in RNA. Various target ensembles were constructed representing different domain-domain orientational distributions that are confined to a topologically restricted (<10%) conformational space. Five independent sets of ensemble averaged RDCs were then computed for each target ensemble and a ‘sample and select’ scheme used to identify degenerate ensembles that satisfy RDCs to within experimental uncertainty. We find that ensembles with different ensemble sizes and that can differ significantly from the target ensemble (by as much as ΣΩ ~ 0.4 where ΣΩ varies between 0 and 1 for maximum and minimum ensemble similarity, respectively) can satisfy the ensemble averaged RDCs. These deviations increase with the number of unique conformers and breadth of the target distribution, and result in significant uncertainty in determining conformational entropy (as large as 5 kcal/mol at T = 298 K). Nevertheless, the RDC-degenerate ensembles are biased towards populated regions of the target ensemble, and capture other essential features of the distribution, including the shape. Our results identify ensemble size as a major source of uncertainty in determining ensembles and suggest that NMR interactions such as RDCs and spin relaxation, on their own, do not carry the necessary information needed to determine conformational entropy at a useful level of precision. The framework introduced here provides a general approach for exploring degeneracies in ensemble determination for different types of experimental data. PMID:26131693
Residue-level global and local ensemble-ensemble comparisons of protein domains.
Clark, Sarah A; Tronrud, Dale E; Karplus, P Andrew
2015-09-01
Many methods of protein structure generation such as NMR-based solution structure determination and template-based modeling do not produce a single model, but an ensemble of models consistent with the available information. Current strategies for comparing ensembles lose information because they use only a single representative structure. Here, we describe the ENSEMBLATOR and its novel strategy to directly compare two ensembles containing the same atoms to identify significant global and local backbone differences between them on per-atom and per-residue levels, respectively. The ENSEMBLATOR has four components: eePREP (ee for ensemble-ensemble), which selects atoms common to all models; eeCORE, which identifies atoms belonging to a cutoff-distance dependent common core; eeGLOBAL, which globally superimposes all models using the defined core atoms and calculates for each atom the two intraensemble variations, the interensemble variation, and the closest approach of members of the two ensembles; and eeLOCAL, which performs a local overlay of each dipeptide and, using a novel measure of local backbone similarity, reports the same four variations as eeGLOBAL. The combination of eeGLOBAL and eeLOCAL analyses identifies the most significant differences between ensembles. We illustrate the ENSEMBLATOR's capabilities by showing how using it to analyze NMR ensembles and to compare NMR ensembles with crystal structures provides novel insights compared to published studies. One of these studies leads us to suggest that a "consistency check" of NMR-derived ensembles may be a useful analysis step for NMR-based structure determinations in general. The ENSEMBLATOR 1.0 is available as a first generation tool to carry out ensemble-ensemble comparisons. © 2015 The Protein Society.
Residue-level global and local ensemble-ensemble comparisons of protein domains
Clark, Sarah A; Tronrud, Dale E; Andrew Karplus, P
2015-01-01
Many methods of protein structure generation such as NMR-based solution structure determination and template-based modeling do not produce a single model, but an ensemble of models consistent with the available information. Current strategies for comparing ensembles lose information because they use only a single representative structure. Here, we describe the ENSEMBLATOR and its novel strategy to directly compare two ensembles containing the same atoms to identify significant global and local backbone differences between them on per-atom and per-residue levels, respectively. The ENSEMBLATOR has four components: eePREP (ee for ensemble-ensemble), which selects atoms common to all models; eeCORE, which identifies atoms belonging to a cutoff-distance dependent common core; eeGLOBAL, which globally superimposes all models using the defined core atoms and calculates for each atom the two intraensemble variations, the interensemble variation, and the closest approach of members of the two ensembles; and eeLOCAL, which performs a local overlay of each dipeptide and, using a novel measure of local backbone similarity, reports the same four variations as eeGLOBAL. The combination of eeGLOBAL and eeLOCAL analyses identifies the most significant differences between ensembles. We illustrate the ENSEMBLATOR's capabilities by showing how using it to analyze NMR ensembles and to compare NMR ensembles with crystal structures provides novel insights compared to published studies. One of these studies leads us to suggest that a “consistency check” of NMR-derived ensembles may be a useful analysis step for NMR-based structure determinations in general. The ENSEMBLATOR 1.0 is available as a first generation tool to carry out ensemble-ensemble comparisons. PMID:26032515
The Ensembl REST API: Ensembl Data for Any Language
Yates, Andrew; Beal, Kathryn; Keenan, Stephen; McLaren, William; Pignatelli, Miguel; Ritchie, Graham R. S.; Ruffier, Magali; Taylor, Kieron; Vullo, Alessandro; Flicek, Paul
2015-01-01
Motivation: We present a Web service to access Ensembl data using Representational State Transfer (REST). The Ensembl REST server enables the easy retrieval of a wide range of Ensembl data by most programming languages, using standard formats such as JSON and FASTA while minimizing client work. We also introduce bindings to the popular Ensembl Variant Effect Predictor tool permitting large-scale programmatic variant analysis independent of any specific programming language. Availability and implementation: The Ensembl REST API can be accessed at http://rest.ensembl.org and source code is freely available under an Apache 2.0 license from http://github.com/Ensembl/ensembl-rest. Contact: ayates@ebi.ac.uk or flicek@ebi.ac.uk Supplementary information: Supplementary data are available at Bioinformatics online. PMID:25236461
HLPI-Ensemble: Prediction of human lncRNA-protein interactions based on ensemble strategy.
Hu, Huan; Zhang, Li; Ai, Haixin; Zhang, Hui; Fan, Yetian; Zhao, Qi; Liu, Hongsheng
2018-03-27
LncRNA plays an important role in many biological and disease progression by binding to related proteins. However, the experimental methods for studying lncRNA-protein interactions are time-consuming and expensive. Although there are a few models designed to predict the interactions of ncRNA-protein, they all have some common drawbacks that limit their predictive performance. In this study, we present a model called HLPI-Ensemble designed specifically for human lncRNA-protein interactions. HLPI-Ensemble adopts the ensemble strategy based on three mainstream machine learning algorithms of Support Vector Machines (SVM), Random Forests (RF) and Extreme Gradient Boosting (XGB) to generate HLPI-SVM Ensemble, HLPI-RF Ensemble and HLPI-XGB Ensemble, respectively. The results of 10-fold cross-validation show that HLPI-SVM Ensemble, HLPI-RF Ensemble and HLPI-XGB Ensemble achieved AUCs of 0.95, 0.96 and 0.96, respectively, in the test dataset. Furthermore, we compared the performance of the HLPI-Ensemble models with the previous models through external validation dataset. The results show that the false positives (FPs) of HLPI-Ensemble models are much lower than that of the previous models, and other evaluation indicators of HLPI-Ensemble models are also higher than those of the previous models. It is further showed that HLPI-Ensemble models are superior in predicting human lncRNA-protein interaction compared with previous models. The HLPI-Ensemble is publicly available at: http://ccsipb.lnu.edu.cn/hlpiensemble/ .
Multiple electrokinetic actuators for feedback control of colloidal crystal size.
Juárez, Jaime J; Mathai, Pramod P; Liddle, J Alexander; Bevan, Michael A
2012-10-21
We report a feedback control method to precisely target the number of colloidal particles in quasi-2D ensembles and their subsequent assembly into crystals in a quadrupole electrode. Our approach relies on tracking the number of particles within a quadrupole electrode, which is used in a real-time feedback control algorithm to dynamically actuate competing electrokinetic transport mechanisms. Particles are removed from the quadrupole using DC-field mediated electrophoretic-electroosmotic transport, while high-frequency AC-field mediated dielectrophoretic transport is used to concentrate and assemble colloidal crystals. Our results show successful control of the size of crystals containing 20 to 250 colloidal particles with less than 10% error. Assembled crystals are characterized by their radius of gyration, crystallinity, and number of edge particles, and demonstrate the expected size-dependent properties. Our findings demonstrate successful ensemble feedback control of the assembly of different sized colloidal crystals using multiple actuators, which has broad implications for control over nano- and micro- scale assembly processes involving colloidal components.
Electro-textile garments for power and data distribution
NASA Astrophysics Data System (ADS)
Slade, Jeremiah R.; Winterhalter, Carole
2015-05-01
U.S. troops are increasingly being equipped with various electronic assets including flexible displays, computers, and communications systems. While these systems can significantly enhance operational capabilities, forming reliable connections between them poses a number of challenges in terms of comfort, weight, ergonomics, and operational security. IST has addressed these challenges by developing the technologies needed to integrate large-scale cross-seam electrical functionality into virtually any textile product, including the various garments and vests that comprise the warfighter's ensemble. Using this technology IST is able to develop textile products that do not simply support or accommodate a network but are the network.
New Aspects of Probabilistic Forecast Verification Using Information Theory
NASA Astrophysics Data System (ADS)
Tödter, Julian; Ahrens, Bodo
2013-04-01
This work deals with information-theoretical methods in probabilistic forecast verification, particularly concerning ensemble forecasts. Recent findings concerning the "Ignorance Score" are shortly reviewed, then a consistent generalization to continuous forecasts is motivated. For ensemble-generated forecasts, the presented measures can be calculated exactly. The Brier Score (BS) and its generalizations to the multi-categorical Ranked Probability Score (RPS) and to the Continuous Ranked Probability Score (CRPS) are prominent verification measures for probabilistic forecasts. Particularly, their decompositions into measures quantifying the reliability, resolution and uncertainty of the forecasts are attractive. Information theory sets up a natural framework for forecast verification. Recently, it has been shown that the BS is a second-order approximation of the information-based Ignorance Score (IGN), which also contains easily interpretable components and can also be generalized to a ranked version (RIGN). Here, the IGN, its generalizations and decompositions are systematically discussed in analogy to the variants of the BS. Additionally, a Continuous Ranked IGN (CRIGN) is introduced in analogy to the CRPS. The useful properties of the conceptually appealing CRIGN are illustrated, together with an algorithm to evaluate its components reliability, resolution, and uncertainty for ensemble-generated forecasts. This algorithm can also be used to calculate the decomposition of the more traditional CRPS exactly. The applicability of the "new" measures is demonstrated in a small evaluation study of ensemble-based precipitation forecasts.
Mesoscale data assimilation for a local severe rainfall event with the NHM-LETKF system
NASA Astrophysics Data System (ADS)
Kunii, M.
2013-12-01
This study aims to improve forecasts of local severe weather events through data assimilation and ensemble forecasting approaches. Here, the local ensemble transform Kalman filter (LETKF) is implemented with the Japan Meteorological Agency's nonhydrostatic model (NHM). The newly developed NHM-LETKF contains an adaptive inflation scheme and a spatial covariance localization scheme with physical distance. One-way nested analysis in which a finer-resolution LETKF is conducted by using the outputs of an outer model also becomes feasible. These new contents should enhance the potential of the LETKF for convective scale events. The NHM-LETKF is applied to a local severe rainfall event in Japan in 2012. Comparison of the root mean square errors between the model first guess and analysis reveals that the system assimilates observations appropriately. Analysis ensemble spreads indicate a significant increase around the time torrential rainfall occurred, which would imply an increase in the uncertainty of environmental fields. Forecasts initialized with LETKF analyses successfully capture intense rainfalls, suggesting that the system can work effectively for local severe weather. Investigation of probabilistic forecasts by ensemble forecasting indicates that this could become a reliable data source for decision making in the future. A one-way nested data assimilation scheme is also tested. The experiment results demonstrate that assimilation with a finer-resolution model provides an advantage in the quantitative precipitation forecasting of local severe weather conditions.
How do I know if I’ve improved my continental scale flood early warning system?
NASA Astrophysics Data System (ADS)
Cloke, Hannah L.; Pappenberger, Florian; Smith, Paul J.; Wetterhall, Fredrik
2017-04-01
Flood early warning systems mitigate damages and loss of life and are an economically efficient way of enhancing disaster resilience. The use of continental scale flood early warning systems is rapidly growing. The European Flood Awareness System (EFAS) is a pan-European flood early warning system forced by a multi-model ensemble of numerical weather predictions. Responses to scientific and technical changes can be complex in these computationally expensive continental scale systems, and improvements need to be tested by evaluating runs of the whole system. It is demonstrated here that forecast skill is not correlated with the value of warnings. In order to tell if the system has been improved an evaluation strategy is required that considers both forecast skill and warning value. The combination of a multi-forcing ensemble of EFAS flood forecasts is evaluated with a new skill-value strategy. The full multi-forcing ensemble is recommended for operational forecasting, but, there are spatial variations in the optimal forecast combination. Results indicate that optimizing forecasts based on value rather than skill alters the optimal forcing combination and the forecast performance. Also indicated is that model diversity and ensemble size are both important in achieving best overall performance. The use of several evaluation measures that consider both skill and value is strongly recommended when considering improvements to early warning systems.
Efficient data assimilation algorithm for bathymetry application
NASA Astrophysics Data System (ADS)
Ghorbanidehno, H.; Lee, J. H.; Farthing, M.; Hesser, T.; Kitanidis, P. K.; Darve, E. F.
2017-12-01
Information on the evolving state of the nearshore zone bathymetry is crucial to shoreline management, recreational safety, and naval operations. The high cost and complex logistics of using ship-based surveys for bathymetry estimation have encouraged the use of remote sensing techniques. Data assimilation methods combine the remote sensing data and nearshore hydrodynamic models to estimate the unknown bathymetry and the corresponding uncertainties. In particular, several recent efforts have combined Kalman Filter-based techniques such as ensembled-based Kalman filters with indirect video-based observations to address the bathymetry inversion problem. However, these methods often suffer from ensemble collapse and uncertainty underestimation. Here, the Compressed State Kalman Filter (CSKF) method is used to estimate the bathymetry based on observed wave celerity. In order to demonstrate the accuracy and robustness of the CSKF method, we consider twin tests with synthetic observations of wave celerity, while the bathymetry profiles are chosen based on surveys taken by the U.S. Army Corps of Engineer Field Research Facility (FRF) in Duck, NC. The first test case is a bathymetry estimation problem for a spatially smooth and temporally constant bathymetry profile. The second test case is a bathymetry estimation problem for a temporally evolving bathymetry from a smooth to a non-smooth profile. For both problems, we compare the results of CSKF with those obtained by the local ensemble transform Kalman filter (LETKF), which is a popular ensemble-based Kalman filter method.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Petkov, Valeri; Prasai, Binay; Shastri, Sarvjit
Practical applications require the production and usage of metallic nanocrystals (NCs) in large ensembles. Besides, due to their cluster-bulk solid duality, metallic NCs exhibit a large degree of structural diversity. This poses the question as to what atomic-scale basis is to be used when the structure–function relationship for metallic NCs is to be quantified precisely. In this paper, we address the question by studying bi-functional Fe core-Pt skin type NCs optimized for practical applications. In particular, the cluster-like Fe core and skin-like Pt surface of the NCs exhibit superparamagnetic properties and a superb catalytic activity for the oxygen reduction reaction,more » respectively. We determine the atomic-scale structure of the NCs by non-traditional resonant high-energy X-ray diffraction coupled to atomic pair distribution function analysis. Using the experimental structure data we explain the observed magnetic and catalytic behavior of the NCs in a quantitative manner. Lastly, we demonstrate that NC ensemble-averaged 3D positions of atoms obtained by advanced X-ray scattering techniques are a very proper basis for not only establishing but also quantifying the structure–function relationship for the increasingly complex metallic NCs explored for practical applications.« less
Assimilating the Future for Better Forecasts and Earlier Warnings
NASA Astrophysics Data System (ADS)
Du, H.; Wheatcroft, E.; Smith, L. A.
2016-12-01
Multi-model ensembles have become popular tools to account for some of the uncertainty due to model inadequacy in weather and climate simulation-based predictions. The current multi-model forecasts focus on combining single model ensemble forecasts by means of statistical post-processing. Assuming each model is developed independently or with different primary target variables, each is likely to contain different dynamical strengths and weaknesses. Using statistical post-processing, such information is only carried by the simulations under a single model ensemble: no advantage is taken to influence simulations under the other models. A novel methodology, named Multi-model Cross Pollination in Time, is proposed for multi-model ensemble scheme with the aim of integrating the dynamical information regarding the future from each individual model operationally. The proposed approach generates model states in time via applying data assimilation scheme(s) to yield truly "multi-model trajectories". It is demonstrated to outperform traditional statistical post-processing in the 40-dimensional Lorenz96 flow. Data assimilation approaches are originally designed to improve state estimation from the past to the current time. The aim of this talk is to introduce a framework that uses data assimilation to improve model forecasts at future time (not to argue for any one particular data assimilation scheme). Illustration of applying data assimilation "in the future" to provide early warning of future high-impact events is also presented.
MULTI-K: accurate classification of microarray subtypes using ensemble k-means clustering
Kim, Eun-Youn; Kim, Seon-Young; Ashlock, Daniel; Nam, Dougu
2009-01-01
Background Uncovering subtypes of disease from microarray samples has important clinical implications such as survival time and sensitivity of individual patients to specific therapies. Unsupervised clustering methods have been used to classify this type of data. However, most existing methods focus on clusters with compact shapes and do not reflect the geometric complexity of the high dimensional microarray clusters, which limits their performance. Results We present a cluster-number-based ensemble clustering algorithm, called MULTI-K, for microarray sample classification, which demonstrates remarkable accuracy. The method amalgamates multiple k-means runs by varying the number of clusters and identifies clusters that manifest the most robust co-memberships of elements. In addition to the original algorithm, we newly devised the entropy-plot to control the separation of singletons or small clusters. MULTI-K, unlike the simple k-means or other widely used methods, was able to capture clusters with complex and high-dimensional structures accurately. MULTI-K outperformed other methods including a recently developed ensemble clustering algorithm in tests with five simulated and eight real gene-expression data sets. Conclusion The geometric complexity of clusters should be taken into account for accurate classification of microarray data, and ensemble clustering applied to the number of clusters tackles the problem very well. The C++ code and the data sets tested are available from the authors. PMID:19698124
Pandini, Alessandro; Fraccalvieri, Domenico; Bonati, Laura
2013-01-01
The biological function of proteins is strictly related to their molecular flexibility and dynamics: enzymatic activity, protein-protein interactions, ligand binding and allosteric regulation are important mechanisms involving protein motions. Computational approaches, such as Molecular Dynamics (MD) simulations, are now routinely used to study the intrinsic dynamics of target proteins as well as to complement molecular docking approaches. These methods have also successfully supported the process of rational design and discovery of new drugs. Identification of functionally relevant conformations is a key step in these studies. This is generally done by cluster analysis of the ensemble of structures in the MD trajectory. Recently Artificial Neural Network (ANN) approaches, in particular methods based on Self-Organising Maps (SOMs), have been reported performing more accurately and providing more consistent results than traditional clustering algorithms in various data-mining problems. In the specific case of conformational analysis, SOMs have been successfully used to compare multiple ensembles of protein conformations demonstrating a potential in efficiently detecting the dynamic signatures central to biological function. Moreover, examples of the use of SOMs to address problems relevant to other stages of the drug-design process, including clustering of docking poses, have been reported. In this contribution we review recent applications of ANN algorithms in analysing conformational and structural ensembles and we discuss their potential in computer-based approaches for medicinal chemistry.
A platform for high-throughput bioenergy production phenotype characterization in single cells
Kelbauskas, Laimonas; Glenn, Honor; Anderson, Clifford; Messner, Jacob; Lee, Kristen B.; Song, Ganquan; Houkal, Jeff; Su, Fengyu; Zhang, Liqiang; Tian, Yanqing; Wang, Hong; Bussey, Kimberly; Johnson, Roger H.; Meldrum, Deirdre R.
2017-01-01
Driven by an increasing number of studies demonstrating its relevance to a broad variety of disease states, the bioenergy production phenotype has been widely characterized at the bulk sample level. Its cell-to-cell variability, a key player associated with cancer cell survival and recurrence, however, remains poorly understood due to ensemble averaging of the current approaches. We present a technology platform for performing oxygen consumption and extracellular acidification measurements of several hundreds to 1,000 individual cells per assay, while offering simultaneous analysis of cellular communication effects on the energy production phenotype. The platform comprises two major components: a tandem optical sensor for combined oxygen and pH detection, and a microwell device for isolation and analysis of single and few cells in hermetically sealed sub-nanoliter chambers. Our approach revealed subpopulations of cells with aberrant energy production profiles and enables determination of cellular response variability to electron transfer chain inhibitors and ion uncouplers. PMID:28349963
Antkowiak, Maciej; Torres-Mapa, Maria Leilani; Witts, Emily C.; Miles, Gareth B.; Dholakia, Kishan; Gunn-Moore, Frank J.
2013-01-01
A prevailing problem in neuroscience is the fast and targeted delivery of DNA into selected neurons. The development of an appropriate methodology would enable the transfection of multiple genes into the same cell or different genes into different neighboring cells as well as rapid cell selective functionalization of neurons. Here, we show that optimized femtosecond optical transfection fulfills these requirements. We also demonstrate successful optical transfection of channelrhodopsin-2 in single selected neurons. We extend the functionality of this technique for wider uptake by neuroscientists by using fast three-dimensional laser beam steering enabling an image-guided “point-and-transfect” user-friendly transfection of selected cells. A sub-second transfection timescale per cell makes this method more rapid by at least two orders of magnitude when compared to alternative single-cell transfection techniques. This novel technology provides the ability to carry out large-scale cell selective genetic studies on neuronal ensembles and perform rapid genetic programming of neural circuits. PMID:24257461
Programming Light-Harvesting Efficiency Using DNA Origami
2016-01-01
The remarkable performance and quantum efficiency of biological light-harvesting complexes has prompted a multidisciplinary interest in engineering biologically inspired antenna systems as a possible route to novel solar cell technologies. Key to the effectiveness of biological “nanomachines” in light capture and energy transport is their highly ordered nanoscale architecture of photoactive molecules. Recently, DNA origami has emerged as a powerful tool for organizing multiple chromophores with base-pair accuracy and full geometric freedom. Here, we present a programmable antenna array on a DNA origami platform that enables the implementation of rationally designed antenna structures. We systematically analyze the light-harvesting efficiency with respect to number of donors and interdye distances of a ring-like antenna using ensemble and single-molecule fluorescence spectroscopy and detailed Förster modeling. This comprehensive study demonstrates exquisite and reliable structural control over multichromophoric geometries and points to DNA origami as highly versatile platform for testing design concepts in artificial light-harvesting networks. PMID:26906456
Antkowiak, Maciej; Torres-Mapa, Maria Leilani; Witts, Emily C; Miles, Gareth B; Dholakia, Kishan; Gunn-Moore, Frank J
2013-11-21
A prevailing problem in neuroscience is the fast and targeted delivery of DNA into selected neurons. The development of an appropriate methodology would enable the transfection of multiple genes into the same cell or different genes into different neighboring cells as well as rapid cell selective functionalization of neurons. Here, we show that optimized femtosecond optical transfection fulfills these requirements. We also demonstrate successful optical transfection of channelrhodopsin-2 in single selected neurons. We extend the functionality of this technique for wider uptake by neuroscientists by using fast three-dimensional laser beam steering enabling an image-guided "point-and-transfect" user-friendly transfection of selected cells. A sub-second transfection timescale per cell makes this method more rapid by at least two orders of magnitude when compared to alternative single-cell transfection techniques. This novel technology provides the ability to carry out large-scale cell selective genetic studies on neuronal ensembles and perform rapid genetic programming of neural circuits.
Machine learning algorithms for the creation of clinical healthcare enterprise systems
NASA Astrophysics Data System (ADS)
Mandal, Indrajit
2017-10-01
Clinical recommender systems are increasingly becoming popular for improving modern healthcare systems. Enterprise systems are persuasively used for creating effective nurse care plans to provide nurse training, clinical recommendations and clinical quality control. A novel design of a reliable clinical recommender system based on multiple classifier system (MCS) is implemented. A hybrid machine learning (ML) ensemble based on random subspace method and random forest is presented. The performance accuracy and robustness of proposed enterprise architecture are quantitatively estimated to be above 99% and 97%, respectively (above 95% confidence interval). The study then extends to experimental analysis of the clinical recommender system with respect to the noisy data environment. The ranking of items in nurse care plan is demonstrated using machine learning algorithms (MLAs) to overcome the drawback of the traditional association rule method. The promising experimental results are compared against the sate-of-the-art approaches to highlight the advancement in recommendation technology. The proposed recommender system is experimentally validated using five benchmark clinical data to reinforce the research findings.
Xia, Jie; Hsieh, Jui-Hua; Hu, Huabin; Wu, Song; Wang, Xiang Simon
2017-06-26
Structure-based virtual screening (SBVS) has become an indispensable technique for hit identification at the early stage of drug discovery. However, the accuracy of current scoring functions is not high enough to confer success to every target and thus remains to be improved. Previously, we had developed binary pose filters (PFs) using knowledge derived from the protein-ligand interface of a single X-ray structure of a specific target. This novel approach had been validated as an effective way to improve ligand enrichment. Continuing from it, in the present work we attempted to incorporate knowledge collected from diverse protein-ligand interfaces of multiple crystal structures of the same target to build PF ensembles (PFEs). Toward this end, we first constructed a comprehensive data set to meet the requirements of ensemble modeling and validation. This set contains 10 diverse targets, 118 well-prepared X-ray structures of protein-ligand complexes, and large benchmarking actives/decoys sets. Notably, we designed a unique workflow of two-layer classifiers based on the concept of ensemble learning and applied it to the construction of PFEs for all of the targets. Through extensive benchmarking studies, we demonstrated that (1) coupling PFE with Chemgauss4 significantly improves the early enrichment of Chemgauss4 itself and (2) PFEs show greater consistency in boosting early enrichment and larger overall enrichment than our prior PFs. In addition, we analyzed the pairwise topological similarities among cognate ligands used to construct PFEs and found that it is the higher chemical diversity of the cognate ligands that leads to the improved performance of PFEs. Taken together, the results so far prove that the incorporation of knowledge from diverse protein-ligand interfaces by ensemble modeling is able to enhance the screening competence of SBVS scoring functions.
Spatial Memory Engram in the Mouse Retrosplenial Cortex.
Milczarek, Michal M; Vann, Seralynne D; Sengpiel, Frank
2018-06-18
Memory relies on lasting adaptations of neuronal properties elicited by stimulus-driven plastic changes [1]. The strengthening (and weakening) of synapses results in the establishment of functional ensembles. It is presumed that such ensembles (or engrams) are activated during memory acquisition and re-activated upon memory retrieval. The retrosplenial cortex (RSC) has emerged as a key brain area supporting memory [2], including episodic and topographical memory in humans [3-5], as well as spatial memory in rodents [6, 7]. Dysgranular RSC is densely connected with dorsal stream visual areas [8] and contains place-like and head-direction cells, making it a prime candidate for integrating navigational information [9]. While previous reports [6, 10] describe the recruitment of RSC ensembles during navigational tasks, such ensembles have never been tracked long enough to provide evidence of stable engrams and have not been related to the retention of long-term memory. Here, we used in vivo 2-photon imaging to analyze patterns of activity of over 6,000 neurons within dysgranular RSC. Eight mice were trained on a spatial memory task. Learning was accompanied by the gradual emergence of a context-specific pattern of neuronal activity over a 3-week period, which was re-instated upon retrieval more than 3 weeks later. The stability of this memory engram was predictive of the degree of forgetting; more stable engrams were associated with better performance. This provides direct evidence for the interdependence of spatial memory consolidation and RSC engram formation. Our results demonstrate the participation of RSC in spatial memory storage at the level of neuronal ensembles. Copyright © 2018 The Author(s). Published by Elsevier Ltd.. All rights reserved.
Enhanced Assimilation of InSAR Displacement and Well Data for Groundwater Monitoring
NASA Astrophysics Data System (ADS)
Abdullin, A.; Jonsson, S.
2016-12-01
Ground deformation related to aquifer exploitation can cause damage to buildings and infrastructure leading to major economic losses and sometimes even loss of human lives. Understanding reservoir behavior helps in assessing possible future ground movement and water depletion hazard of a region under study. We have developed an InSAR-based data assimilation framework for groundwater reservoirs that efficiently incorporates InSAR data for improved reservoir management and forecasts. InSAR displacement data are integrated with the groundwater modeling software MODFLOW using ensemble-based assimilation approaches. We have examined several Ensemble Methods for updating model parameters such as hydraulic conductivity and model variables like pressure head while simultaneously providing an estimate of the uncertainty. A realistic three-dimensional aquifer model was built to demonstrate the capability of the Ensemble Methods incorporating InSAR-derived displacement measurements. We find from these numerical tests that including both ground deformation and well water level data as observations improves the RMSE of the hydraulic conductivity estimate by up to 20% comparing to using only one type of observations. The RMSE estimation of this property after the final time step is similar for Ensemble Kalman Filter (EnKF), Ensemble Smoother (ES) and ES with multiple data assimilation (ES-MDA) methods. The results suggest that the high spatial and temporal resolution subsidence observations from InSAR are very helpful for accurately quantifying hydraulic parameters. We have tested the framework on several different examples and have found good performance in improving aquifer properties estimation, which should prove useful for groundwater management. Our ongoing work focuses on assimilating real InSAR-derived time series and hydraulic head data for calibrating and predicting aquifer properties of basin-wide groundwater systems.
Du, Gang; Jiang, Zhibin; Diao, Xiaodi; Yao, Yang
2013-07-01
Takagi-Sugeno (T-S) fuzzy neural networks (FNNs) can be used to handle complex, fuzzy, uncertain clinical pathway (CP) variances. However, there are many drawbacks, such as slow training rate, propensity to become trapped in a local minimum and poor ability to perform a global search. In order to improve overall performance of variance handling by T-S FNNs, a new CP variance handling method is proposed in this study. It is based on random cooperative decomposing particle swarm optimization with double mutation mechanism (RCDPSO_DM) for T-S FNNs. Moreover, the proposed integrated learning algorithm, combining the RCDPSO_DM algorithm with a Kalman filtering algorithm, is applied to optimize antecedent and consequent parameters of constructed T-S FNNs. Then, a multi-swarm cooperative immigrating particle swarm algorithm ensemble method is used for intelligent ensemble T-S FNNs with RCDPSO_DM optimization to further improve stability and accuracy of CP variance handling. Finally, two case studies on liver and kidney poisoning variances in osteosarcoma preoperative chemotherapy are used to validate the proposed method. The result demonstrates that intelligent ensemble T-S FNNs based on the RCDPSO_DM achieves superior performances, in terms of stability, efficiency, precision and generalizability, over PSO ensemble of all T-S FNNs with RCDPSO_DM optimization, single T-S FNNs with RCDPSO_DM optimization, standard T-S FNNs, standard Mamdani FNNs and T-S FNNs based on other algorithms (cooperative particle swarm optimization and particle swarm optimization) for CP variance handling. Therefore, it makes CP variance handling more effective. Copyright © 2013 Elsevier Ltd. All rights reserved.
Mobius domain-wall fermions on gradient-flowed dynamical HISQ ensembles
DOE Office of Scientific and Technical Information (OSTI.GOV)
Berkowitz, Evan; Bouchard, Chris; Chang, Chia Cheng
Here, we report on salient features of a mixed lattice QCD action using valence M\\"{o}bius domain-wall fermions solved on the dynamicalmore » $$N_f=2+1+1$$ HISQ ensembles generated by the MILC Collaboration. The approximate chiral symmetry properties of the valence fermions are shown to be significantly improved by utilizing the gradient-flow scheme to first smear the HISQ configurations. The greater numerical cost of the M\\"{o}bius domain-wall inversions is mitigated by the highly efficient QUDA library optimized for NVIDIA GPU accelerated compute nodes. We have created an interface to this optimized QUDA solver in Chroma. We provide tuned parameters of the action and performance of QUDA using ensembles with the lattice spacings $$a \\simeq \\{0.15, 0.12, 0.09\\}$$ fm and pion masses $$m_\\pi \\simeq \\{310, 220,130\\}$$ MeV. We have additionally generated two new ensembles with $$a\\sim0.12$$ fm and $$m_\\pi\\sim\\{400, 350\\}$$ MeV. With a fixed flow-time of $$t_{gf}=1$$ in lattice units, the residual chiral symmetry breaking of the valence fermions is kept below 10\\% of the light quark mass on all ensembles, $$m_{res} \\lesssim 0.1\\times m_l$$, with moderate values of the fifth dimension $$L_5$$ and a domain-wall height $$M_5 \\leq 1.3$$. As a benchmark calculation, we perform a continuum, infinite volume, physical pion and kaon mass extrapolation of $$F_{K^\\pm}/F_{\\pi^\\pm}$$ and demonstrate our results are independent of flow-time, and consistent with the FLAG determination of this quantity at the level of less than one standard deviation.« less
Population interactions between parietal and primary motor cortices during reach
Rao, Naveen G.; Bondy, Adrian; Truccolo, Wilson; Donoghue, John P.
2014-01-01
Neural interactions between parietal area 2/5 and primary motor cortex (M1) were examined to determine the timing and behavioral correlates of cortico-cortical interactions. Neural activity in areas 2/5 and M1 was simultaneously recorded with 96-channel microelectrode arrays in three rhesus monkeys performing a center-out reach task. We introduce a new method to reveal parietal-motor interactions at a population level using partial spike-field coherence (PSFC) between ensembles of neurons in one area and a local field potential (LFP) in another. PSFC reflects the extent of phase locking between spike times and LFP, after removing the coherence between LFPs in the two areas. Spectral analysis of M1 LFP revealed three bands: low, medium, and high, differing in power between movement preparation and performance. We focus on PSFC in the 1–10 Hz band, in which coherence was strongest. PSFC was also present in the 10–40 Hz band during movement preparation in many channels but generally nonsignificant in the 60–200 Hz band. Ensemble PSFC revealed stronger interactions than single cell-LFP pairings. PSFC of area 2/5 ensembles with M1 LFP typically rose around movement onset and peaked ∼500 ms afterward. PSFC was typically stronger for subsets of area 2/5 neurons and M1 LFPs with similar directional bias than for those with opposite bias, indicating that area 2/5 contributes movement direction information. Together with linear prediction of M1 LFP by area 2/5 spiking, the ensemble-LFP pairing approach reveals interactions missed by single neuron-LFP pairing, demonstrating that cortico-cortical communication can be more readily observed at the ensemble level. PMID:25210154
NASA Astrophysics Data System (ADS)
Lo, Joseph Y.; Gavrielides, Marios A.; Markey, Mia K.; Jesneck, Jonathan L.
2003-05-01
We developed an ensemble classifier for the task of computer-aided diagnosis of breast microcalcification clusters,which are very challenging to characterize for radiologists and computer models alike. The purpose of this study is to help radiologists identify whether suspicious calcification clusters are benign vs. malignant, such that they may potentially recommend fewer unnecessary biopsies for actually benign lesions. The data consists of mammographic features extracted by automated image processing algorithms as well as manually interpreted by radiologists according to a standardized lexicon. We used 292 cases from a publicly available mammography database. From each cases, we extracted 22 image processing features pertaining to lesion morphology, 5 radiologist features also pertaining to morphology, and the patient age. Linear discriminant analysis (LDA) models were designed using each of the three data types. Each local model performed poorly; the best was one based upon image processing features which yielded ROC area index AZ of 0.59 +/- 0.03 and partial AZ above 90% sensitivity of 0.08 +/- 0.03. We then developed ensemble models using different combinations of those data types, and these models all improved performance compared to the local models. The final ensemble model was based upon 5 features selected by stepwise LDA from all 28 available features. This ensemble performed with AZ of 0.69 +/- 0.03 and partial AZ of 0.21 +/- 0.04, which was statistically significantly better than the model based on the image processing features alone (p<0.001 and p=0.01 for full and partial AZ respectively). This demonstrated the value of the radiologist-extracted features as a source of information for this task. It also suggested there is potential for improved performance using this ensemble classifier approach to combine different sources of currently available data.
Smith-Hicks, Constance L.; Cai, Peiling; Savonenko, Alena V.; Reeves, Roger H.; Worley, Paul F.
2017-01-01
Down syndrome (DS) is the leading chromosomal cause of intellectual disability, yet the neural substrates of learning and memory deficits remain poorly understood. Here, we interrogate neural networks linked to learning and memory in a well-characterized model of DS, the Ts65Dn mouse. We report that Ts65Dn mice exhibit exploratory behavior that is not different from littermate wild-type (WT) controls yet behavioral activation of Arc mRNA transcription in pyramidal neurons of the CA1 region of the hippocampus is altered in Ts65Dn mice. In WT mice, a 5 min period of exploration of a novel environment resulted in Arc mRNA transcription in 39% of CA1 neurons. By contrast, the same period of exploration resulted in only ~20% of CA1 neurons transcribing Arc mRNA in Ts65Dn mice indicating increased sparsity of the behaviorally induced ensemble. Like WT mice the CA1 pyramidal neurons of Ts65Dn mice reactivated Arc transcription during a second exposure to the same environment 20 min after the first experience, but the size of the reactivated ensemble was only ~60% of that in WT mice. After repeated daily exposures there was a further decline in the size of the reactivated ensemble in Ts65Dn and a disruption of reactivation. Together these data demonstrate reduction in the size of the behaviorally induced network that expresses Arc in Ts65Dn mice and disruption of the long-term stability of the ensemble. We propose that these deficits in network formation and stability contribute to cognitive symptoms in DS. PMID:28217086
Ozçift, Akin
2011-05-01
Supervised classification algorithms are commonly used in the designing of computer-aided diagnosis systems. In this study, we present a resampling strategy based Random Forests (RF) ensemble classifier to improve diagnosis of cardiac arrhythmia. Random forests is an ensemble classifier that consists of many decision trees and outputs the class that is the mode of the class's output by individual trees. In this way, an RF ensemble classifier performs better than a single tree from classification performance point of view. In general, multiclass datasets having unbalanced distribution of sample sizes are difficult to analyze in terms of class discrimination. Cardiac arrhythmia is such a dataset that has multiple classes with small sample sizes and it is therefore adequate to test our resampling based training strategy. The dataset contains 452 samples in fourteen types of arrhythmias and eleven of these classes have sample sizes less than 15. Our diagnosis strategy consists of two parts: (i) a correlation based feature selection algorithm is used to select relevant features from cardiac arrhythmia dataset. (ii) RF machine learning algorithm is used to evaluate the performance of selected features with and without simple random sampling to evaluate the efficiency of proposed training strategy. The resultant accuracy of the classifier is found to be 90.0% and this is a quite high diagnosis performance for cardiac arrhythmia. Furthermore, three case studies, i.e., thyroid, cardiotocography and audiology, are used to benchmark the effectiveness of the proposed method. The results of experiments demonstrated the efficiency of random sampling strategy in training RF ensemble classification algorithm. Copyright © 2011 Elsevier Ltd. All rights reserved.
NASA Astrophysics Data System (ADS)
Hosseiny, S. M. H.; Zarzar, C.; Gomez, M.; Siddique, R.; Smith, V.; Mejia, A.; Demir, I.
2016-12-01
The National Water Model (NWM) provides a platform for operationalize nationwide flood inundation forecasting and mapping. The ability to model flood inundation on a national scale will provide invaluable information to decision makers and local emergency officials. Often, forecast products use deterministic model output to provide a visual representation of a single inundation scenario, which is subject to uncertainty from various sources. While this provides a straightforward representation of the potential inundation, the inherent uncertainty associated with the model output should be considered to optimize this tool for decision making support. The goal of this study is to produce ensembles of future flood inundation conditions (i.e. extent, depth, and velocity) to spatially quantify and visually assess uncertainties associated with the predicted flood inundation maps. The setting for this study is located in a highly urbanized watershed along the Darby Creek in Pennsylvania. A forecasting framework coupling the NWM with multiple hydraulic models was developed to produce a suite ensembles of future flood inundation predictions. Time lagged ensembles from the NWM short range forecasts were used to account for uncertainty associated with the hydrologic forecasts. The forecasts from the NWM were input to iRIC and HEC-RAS two-dimensional software packages, from which water extent, depth, and flow velocity were output. Quantifying the agreement between output ensembles for each forecast grid provided the uncertainty metrics for predicted flood water inundation extent, depth, and flow velocity. For visualization, a series of flood maps that display flood extent, water depth, and flow velocity along with the underlying uncertainty associated with each of the forecasted variables were produced. The results from this study demonstrate the potential to incorporate and visualize model uncertainties in flood inundation maps in order to identify the high flood risk zones.
Mobius domain-wall fermions on gradient-flowed dynamical HISQ ensembles
Berkowitz, Evan; Bouchard, Chris; Chang, Chia Cheng; ...
2017-09-25
Here, we report on salient features of a mixed lattice QCD action using valence M\\"{o}bius domain-wall fermions solved on the dynamicalmore » $$N_f=2+1+1$$ HISQ ensembles generated by the MILC Collaboration. The approximate chiral symmetry properties of the valence fermions are shown to be significantly improved by utilizing the gradient-flow scheme to first smear the HISQ configurations. The greater numerical cost of the M\\"{o}bius domain-wall inversions is mitigated by the highly efficient QUDA library optimized for NVIDIA GPU accelerated compute nodes. We have created an interface to this optimized QUDA solver in Chroma. We provide tuned parameters of the action and performance of QUDA using ensembles with the lattice spacings $$a \\simeq \\{0.15, 0.12, 0.09\\}$$ fm and pion masses $$m_\\pi \\simeq \\{310, 220,130\\}$$ MeV. We have additionally generated two new ensembles with $$a\\sim0.12$$ fm and $$m_\\pi\\sim\\{400, 350\\}$$ MeV. With a fixed flow-time of $$t_{gf}=1$$ in lattice units, the residual chiral symmetry breaking of the valence fermions is kept below 10\\% of the light quark mass on all ensembles, $$m_{res} \\lesssim 0.1\\times m_l$$, with moderate values of the fifth dimension $$L_5$$ and a domain-wall height $$M_5 \\leq 1.3$$. As a benchmark calculation, we perform a continuum, infinite volume, physical pion and kaon mass extrapolation of $$F_{K^\\pm}/F_{\\pi^\\pm}$$ and demonstrate our results are independent of flow-time, and consistent with the FLAG determination of this quantity at the level of less than one standard deviation.« less
Optimizing Chemical-Vapor-Deposition Diamond for Nitrogen-Vacancy Center Ensemble Magnetrometry
2017-06-01
Ju Li Battelle Energy Alliance Professor of Nuclear Science and Engineering Professor of Materials Science and Engineering...Sciences, U. S. Air Force Academy (2015) Submitted to the Department of Nuclear Science and Engineering in partial fulfillment of the requirements for the...degree of Master of Science in Nuclear Science and Engineering at the MASSACHUSETTS INSTITUTE OF TECHNOLOGY June 2017 c○ Massachusetts Institute of
Formations of Tethered Spacecraft as Stable Platforms for Far IR and Sub-mm Astronomy
NASA Technical Reports Server (NTRS)
Quadrelli, Marco B.; Hadaegh, Fred Y.; Shao, Michael; Lorenzini, Enrico C.
2004-01-01
In this paper we describe current research in tethered formations for interferometry, and a roadmap to demonstrating the required key technologies via on-ground and in-orbit testing. We propose an integrated kilometer-size tethered spacecraft formation flying concept which enables Far IR and Sub-mm astronomy observations from space. A rather general model is used to predict the dynamics, control, and estimation performance of formations of spacecraft connected by tethers in LEO and deep space. These models include the orbital and tethered formation dynamics, environmental models, and models of the formation estimator/controller/commander. Both centralized and decentralized control/sensing/estimation schemes are possible, and dynamic ranges of interest for sensing/control are described. Key component/subsystem technologies are described which need both ground-based and in-orbit demonstration prior to their utilization in precision space interferometry missions using tethered formations. Defining an orbiting formation as an ensemble of orbiting spacecraft performing a cooperative task, recent work has demonstrated the validity of the tethering the spacecraft to provide both the required formation rigidity and satisfy the formation reconfiguration needs such as interferometer baseline control. In our concept, several vehicles are connected and move along the tether, so that to reposition them the connecting tether links must vary in length. This feature enables variable and precise baseline control while the system spins around the boresight. The control architecture features an interferometer configuration composed of one central combiner spacecraft and two aligned collector spacecraft. The combiner spacecraft acts as the formation leader and is also where the centralized sensing and estimation functions reside. Some of the issues analyzed with the model are: dynamic modes of deformation of the distributed structure, architecture of the formation sensor, and sources of dynamical perturbation that need to be mitigated for precision operation in space. Examples from numerical simulation of an envisioned scenario in heliocentric orbit demonstrate the potential of the concept for space interferometry.
Harkness, Robert W; Mittermaier, Anthony K
2017-11-01
G-quadruplexes (GQs) are four-stranded nucleic acid secondary structures formed by guanosine (G)-rich DNA and RNA sequences. It is becoming increasingly clear that cellular processes including gene expression and mRNA translation are regulated by GQs. GQ structures have been extensively characterized, however little attention to date has been paid to their conformational dynamics, despite the fact that many biological GQ sequences populate multiple structures of similar free energies, leading to an ensemble of exchanging conformations. The impact of these dynamics on biological function is currently not well understood. Recently, structural dynamics have been demonstrated to entropically stabilize GQ ensembles, potentially modulating gene expression. Transient, low-populated states in GQ ensembles may additionally regulate nucleic acid interactions and function. This review will underscore the interplay of GQ dynamics and biological function, focusing on several dynamic processes for biological GQs and the characterization of GQ dynamics by nuclear magnetic resonance (NMR) spectroscopy in conjunction with other biophysical techniques. This article is part of a Special Issue entitled: Biophysics in Canada, edited by Lewis Kay, John Baenziger, Albert Berghuis and Peter Tieleman. Copyright © 2017 Elsevier B.V. All rights reserved.
Okamoto, Satoshi; Alvarez, Gonzalo; Dagotto, Elbio; Tohyama, Takami
2018-04-01
We examine the accuracy of the microcanonical Lanczos method (MCLM) developed by Long et al. [Phys. Rev. B 68, 235106 (2003)PRBMDO0163-182910.1103/PhysRevB.68.235106] to compute dynamical spectral functions of interacting quantum models at finite temperatures. The MCLM is based on the microcanonical ensemble, which becomes exact in the thermodynamic limit. To apply the microcanonical ensemble at a fixed temperature, one has to find energy eigenstates with the energy eigenvalue corresponding to the internal energy in the canonical ensemble. Here, we propose to use thermal pure quantum state methods by Sugiura and Shimizu [Phys. Rev. Lett. 111, 010401 (2013)PRLTAO0031-900710.1103/PhysRevLett.111.010401] to obtain the internal energy. After obtaining the energy eigenstates using the Lanczos diagonalization method, dynamical quantities are computed via a continued fraction expansion, a standard procedure for Lanczos-based numerical methods. Using one-dimensional antiferromagnetic Heisenberg chains with S=1/2, we demonstrate that the proposed procedure is reasonably accurate, even for relatively small systems.
NASA Astrophysics Data System (ADS)
Portegies Zwart, Simon; Boekholt, Tjarda
2014-04-01
The conservation of energy, linear momentum, and angular momentum are important drivers of our physical understanding of the evolution of the universe. These quantities are also conserved in Newton's laws of motion under gravity. Numerical integration of the associated equations of motion is extremely challenging, in particular due to the steady growth of numerical errors (by round-off and discrete time-stepping and the exponential divergence between two nearby solutions. As a result, numerical solutions to the general N-body problem are intrinsically questionable. Using brute force integrations to arbitrary numerical precision we demonstrate empirically that ensembles of different realizations of resonant three-body interactions produce statistically indistinguishable results. Although individual solutions using common integration methods are notoriously unreliable, we conjecture that an ensemble of approximate three-body solutions accurately represents an ensemble of true solutions, so long as the energy during integration is conserved to better than 1/10. We therefore provide an independent confirmation that previous work on self-gravitating systems can actually be trusted, irrespective of the intrinsically chaotic nature of the N-body problem.
NASA Astrophysics Data System (ADS)
Okamoto, Satoshi; Alvarez, Gonzalo; Dagotto, Elbio; Tohyama, Takami
2018-04-01
We examine the accuracy of the microcanonical Lanczos method (MCLM) developed by Long et al. [Phys. Rev. B 68, 235106 (2003), 10.1103/PhysRevB.68.235106] to compute dynamical spectral functions of interacting quantum models at finite temperatures. The MCLM is based on the microcanonical ensemble, which becomes exact in the thermodynamic limit. To apply the microcanonical ensemble at a fixed temperature, one has to find energy eigenstates with the energy eigenvalue corresponding to the internal energy in the canonical ensemble. Here, we propose to use thermal pure quantum state methods by Sugiura and Shimizu [Phys. Rev. Lett. 111, 010401 (2013), 10.1103/PhysRevLett.111.010401] to obtain the internal energy. After obtaining the energy eigenstates using the Lanczos diagonalization method, dynamical quantities are computed via a continued fraction expansion, a standard procedure for Lanczos-based numerical methods. Using one-dimensional antiferromagnetic Heisenberg chains with S =1 /2 , we demonstrate that the proposed procedure is reasonably accurate, even for relatively small systems.
Control Mechanisms of Photoisomerization in Protonated Schiff Bases.
Vuković, Lela; Burmeister, Carl F; Král, Petr; Groenhof, Gerrit
2013-03-21
We performed ab initio excited-state molecular dynamics simulations of a gas-phase photoexcited protonated Schiff base (C1-N2═C3-C4═C5-C6) to search for control mechanisms of its photoisomerization. The excited molecule twists by ∼90° around either the N2C3 bond or the C4C5 bond and relaxes to the ground electronic state through a conical intersection with either a trans or cis outcome. We show that a large initial distortion of several dihedral angles and a specific normal vibrational mode combining pyramidalization and double-bond twisting can lead to a preferential rotation of atoms around the C4C5 bond. We also show that selective pretwisting of several dihedral angles in the initial ground state thermal ensemble (by analogy to a protein pocket) can significantly increase the fraction of photoreactive (cis → trans) trajectories. We demonstrate that new ensembles with higher degrees of control over the photoisomerization reaction can be obtained by a computational directed evolution approach on the ensembles of molecules with the pretwisted geometries.
Yao, Shuai-Lei; Luo, Jing-Jia; Huang, Gang
2016-01-01
Regional climate projections are challenging because of large uncertainty particularly stemming from unpredictable, internal variability of the climate system. Here, we examine the internal variability-induced uncertainty in precipitation and surface air temperature (SAT) trends during 2005-2055 over East Asia based on 40 member ensemble projections of the Community Climate System Model Version 3 (CCSM3). The model ensembles are generated from a suite of different atmospheric initial conditions using the same SRES A1B greenhouse gas scenario. We find that projected precipitation trends are subject to considerably larger internal uncertainty and hence have lower confidence, compared to the projected SAT trends in both the boreal winter and summer. Projected SAT trends in winter have relatively higher uncertainty than those in summer. Besides, the lower-level atmospheric circulation has larger uncertainty than that in the mid-level. Based on k-means cluster analysis, we demonstrate that a substantial portion of internally-induced precipitation and SAT trends arises from internal large-scale atmospheric circulation variability. These results highlight the importance of internal climate variability in affecting regional climate projections on multi-decadal timescales.
Statistical Analysis of the First Passage Path Ensemble of Jump Processes
NASA Astrophysics Data System (ADS)
von Kleist, Max; Schütte, Christof; Zhang, Wei
2018-02-01
The transition mechanism of jump processes between two different subsets in state space reveals important dynamical information of the processes and therefore has attracted considerable attention in the past years. In this paper, we study the first passage path ensemble of both discrete-time and continuous-time jump processes on a finite state space. The main approach is to divide each first passage path into nonreactive and reactive segments and to study them separately. The analysis can be applied to jump processes which are non-ergodic, as well as continuous-time jump processes where the waiting time distributions are non-exponential. In the particular case that the jump processes are both Markovian and ergodic, our analysis elucidates the relations between the study of the first passage paths and the study of the transition paths in transition path theory. We provide algorithms to numerically compute statistics of the first passage path ensemble. The computational complexity of these algorithms scales with the complexity of solving a linear system, for which efficient methods are available. Several examples demonstrate the wide applicability of the derived results across research areas.
Seeing the mean: ensemble coding for sets of faces.
Haberman, Jason; Whitney, David
2009-06-01
We frequently encounter groups of similar objects in our visual environment: a bed of flowers, a basket of oranges, a crowd of people. How does the visual system process such redundancy? Research shows that rather than code every element in a texture, the visual system favors a summary statistical representation of all the elements. The authors demonstrate that although it may facilitate texture perception, ensemble coding also occurs for faces-a level of processing well beyond that of textures. Observers viewed sets of faces varying in emotionality (e.g., happy to sad) and assessed the mean emotion of each set. Although observers retained little information about the individual set members, they had a remarkably precise representation of the mean emotion. Observers continued to discriminate the mean emotion accurately even when they viewed sets of 16 faces for 500 ms or less. Modeling revealed that perceiving the average facial expression in groups of faces was not due to noisy representation or noisy discrimination. These findings support the hypothesis that ensemble coding occurs extremely fast at multiple levels of visual analysis. (c) 2009 APA, all rights reserved.
Multiensemble Markov models of molecular thermodynamics and kinetics.
Wu, Hao; Paul, Fabian; Wehmeyer, Christoph; Noé, Frank
2016-06-07
We introduce the general transition-based reweighting analysis method (TRAM), a statistically optimal approach to integrate both unbiased and biased molecular dynamics simulations, such as umbrella sampling or replica exchange. TRAM estimates a multiensemble Markov model (MEMM) with full thermodynamic and kinetic information at all ensembles. The approach combines the benefits of Markov state models-clustering of high-dimensional spaces and modeling of complex many-state systems-with those of the multistate Bennett acceptance ratio of exploiting biased or high-temperature ensembles to accelerate rare-event sampling. TRAM does not depend on any rate model in addition to the widely used Markov state model approximation, but uses only fundamental relations such as detailed balance and binless reweighting of configurations between ensembles. Previous methods, including the multistate Bennett acceptance ratio, discrete TRAM, and Markov state models are special cases and can be derived from the TRAM equations. TRAM is demonstrated by efficiently computing MEMMs in cases where other estimators break down, including the full thermodynamics and rare-event kinetics from high-dimensional simulation data of an all-atom protein-ligand binding model.
Multiensemble Markov models of molecular thermodynamics and kinetics
Wu, Hao; Paul, Fabian; Noé, Frank
2016-01-01
We introduce the general transition-based reweighting analysis method (TRAM), a statistically optimal approach to integrate both unbiased and biased molecular dynamics simulations, such as umbrella sampling or replica exchange. TRAM estimates a multiensemble Markov model (MEMM) with full thermodynamic and kinetic information at all ensembles. The approach combines the benefits of Markov state models—clustering of high-dimensional spaces and modeling of complex many-state systems—with those of the multistate Bennett acceptance ratio of exploiting biased or high-temperature ensembles to accelerate rare-event sampling. TRAM does not depend on any rate model in addition to the widely used Markov state model approximation, but uses only fundamental relations such as detailed balance and binless reweighting of configurations between ensembles. Previous methods, including the multistate Bennett acceptance ratio, discrete TRAM, and Markov state models are special cases and can be derived from the TRAM equations. TRAM is demonstrated by efficiently computing MEMMs in cases where other estimators break down, including the full thermodynamics and rare-event kinetics from high-dimensional simulation data of an all-atom protein–ligand binding model. PMID:27226302
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.
Confident Surgical Decision Making in Temporal Lobe Epilepsy by Heterogeneous Classifier Ensembles
Fakhraei, Shobeir; Soltanian-Zadeh, Hamid; Jafari-Khouzani, Kourosh; Elisevich, Kost; Fotouhi, Farshad
2015-01-01
In medical domains with low tolerance for invalid predictions, classification confidence is highly important and traditional performance measures such as overall accuracy cannot provide adequate insight into classifications reliability. In this paper, a confident-prediction rate (CPR) which measures the upper limit of confident predictions has been proposed based on receiver operating characteristic (ROC) curves. It has been shown that heterogeneous ensemble of classifiers improves this measure. This ensemble approach has been applied to lateralization of focal epileptogenicity in temporal lobe epilepsy (TLE) and prediction of surgical outcomes. A goal of this study is to reduce extraoperative electrocorticography (eECoG) requirement which is the practice of using electrodes placed directly on the exposed surface of the brain. We have shown that such goal is achievable with application of data mining techniques. Furthermore, all TLE surgical operations do not result in complete relief from seizures and it is not always possible for human experts to identify such unsuccessful cases prior to surgery. This study demonstrates the capability of data mining techniques in prediction of undesirable outcome for a portion of such cases. PMID:26609547