Models of optical quantum computing

NASA Astrophysics Data System (ADS)

Krovi, Hari

2017-03-01

I review some work on models of quantum computing, optical implementations of these models, as well as the associated computational power. In particular, we discuss the circuit model and cluster state implementations using quantum optics with various encodings such as dual rail encoding, Gottesman-Kitaev-Preskill encoding, and coherent state encoding. Then we discuss intermediate models of optical computing such as boson sampling and its variants. Finally, we review some recent work in optical implementations of adiabatic quantum computing and analog optical computing. We also provide a brief description of the relevant aspects from complexity theory needed to understand the results surveyed.

Hybrid-dual-fourier tomographic algorithm for a fast three-dimensionial optical image reconstruction in turbid media

NASA Technical Reports Server (NTRS)

Alfano, Robert R. (Inventor); Cai, Wei (Inventor)

2007-01-01

A reconstruction technique for reducing computation burden in the 3D image processes, wherein the reconstruction procedure comprises an inverse and a forward model. The inverse model uses a hybrid dual Fourier algorithm that combines a 2D Fourier inversion with a 1D matrix inversion to thereby provide high-speed inverse computations. The inverse algorithm uses a hybrid transfer to provide fast Fourier inversion for data of multiple sources and multiple detectors. The forward model is based on an analytical cumulant solution of a radiative transfer equation. The accurate analytical form of the solution to the radiative transfer equation provides an efficient formalism for fast computation of the forward model.

Verification of a VRF Heat Pump Computer Model in EnergyPlus

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

Nigusse, Bereket; Raustad, Richard

2013-06-15

This paper provides verification results of the EnergyPlus variable refrigerant flow (VRF) heat pump computer model using manufacturer's performance data. The paper provides an overview of the VRF model, presents the verification methodology, and discusses the results. The verification provides quantitative comparison of full and part-load performance to manufacturer's data in cooling-only and heating-only modes of operation. The VRF heat pump computer model uses dual range bi-quadratic performance curves to represent capacity and Energy Input Ratio (EIR) as a function of indoor and outdoor air temperatures, and dual range quadratic performance curves as a function of part-load-ratio for modeling part-loadmore » performance. These performance curves are generated directly from manufacturer's published performance data. The verification compared the simulation output directly to manufacturer's performance data, and found that the dual range equation fit VRF heat pump computer model predicts the manufacturer's performance data very well over a wide range of indoor and outdoor temperatures and part-load conditions. The predicted capacity and electric power deviations are comparbale to equation-fit HVAC computer models commonly used for packaged and split unitary HVAC equipment.« less

Using a cloud to replenish parched groundwater modeling efforts.

PubMed

Hunt, Randall J; Luchette, Joseph; Schreuder, Willem A; Rumbaugh, James O; Doherty, John; Tonkin, Matthew J; Rumbaugh, Douglas B

2010-01-01

Groundwater models can be improved by introduction of additional parameter flexibility and simultaneous use of soft-knowledge. However, these sophisticated approaches have high computational requirements. Cloud computing provides unprecedented access to computing power via the Internet to facilitate the use of these techniques. A modeler can create, launch, and terminate "virtual" computers as needed, paying by the hour, and save machine images for future use. Such cost-effective and flexible computing power empowers groundwater modelers to routinely perform model calibration and uncertainty analysis in ways not previously possible.

Using a cloud to replenish parched groundwater modeling efforts

USGS Publications Warehouse

Hunt, Randall J.; Luchette, Joseph; Schreuder, Willem A.; Rumbaugh, James O.; Doherty, John; Tonkin, Matthew J.; Rumbaugh, Douglas B.

2010-01-01

Groundwater models can be improved by introduction of additional parameter flexibility and simultaneous use of soft-knowledge. However, these sophisticated approaches have high computational requirements. Cloud computing provides unprecedented access to computing power via the Internet to facilitate the use of these techniques. A modeler can create, launch, and terminate “virtual” computers as needed, paying by the hour, and save machine images for future use. Such cost-effective and flexible computing power empowers groundwater modelers to routinely perform model calibration and uncertainty analysis in ways not previously possible.

Multiphysics and multiscale modelling, data-model fusion and integration of organ physiology in the clinic: ventricular cardiac mechanics.

PubMed

Chabiniok, Radomir; Wang, Vicky Y; Hadjicharalambous, Myrianthi; Asner, Liya; Lee, Jack; Sermesant, Maxime; Kuhl, Ellen; Young, Alistair A; Moireau, Philippe; Nash, Martyn P; Chapelle, Dominique; Nordsletten, David A

2016-04-06

With heart and cardiovascular diseases continually challenging healthcare systems worldwide, translating basic research on cardiac (patho)physiology into clinical care is essential. Exacerbating this already extensive challenge is the complexity of the heart, relying on its hierarchical structure and function to maintain cardiovascular flow. Computational modelling has been proposed and actively pursued as a tool for accelerating research and translation. Allowing exploration of the relationships between physics, multiscale mechanisms and function, computational modelling provides a platform for improving our understanding of the heart. Further integration of experimental and clinical data through data assimilation and parameter estimation techniques is bringing computational models closer to use in routine clinical practice. This article reviews developments in computational cardiac modelling and how their integration with medical imaging data is providing new pathways for translational cardiac modelling.

A Home Computer Primer.

ERIC Educational Resources Information Center

Stone, Antonia

1982-01-01

Provides general information on currently available microcomputers, computer programs (software), hardware requirements, software sources, costs, computer games, and programing. Includes a list of popular microcomputers, providing price category, model, list price, software (cassette, tape, disk), monitor specifications, amount of random access…

Computational Modeling for Language Acquisition: A Tutorial with Syntactic Islands

ERIC Educational Resources Information Center

Pearl, Lisa S.; Sprouse, Jon

2015-01-01

Purpose: Given the growing prominence of computational modeling in the acquisition research community, we present a tutorial on how to use computational modeling to investigate learning strategies that underlie the acquisition process. This is useful for understanding both typical and atypical linguistic development. Method: We provide a general…

A New Formulation for Hybrid LES-RANS Computations

NASA Technical Reports Server (NTRS)

Woodruff, Stephen L.

2013-01-01

Ideally, a hybrid LES-RANS computation would employ LES only where necessary to make up for the failure of the RANS model to provide sufficient accuracy or to provide time-dependent information. Current approaches are fairly restrictive in the placement of LES and RANS regions; an LES-RANS transition in a boundary layer, for example, yields an unphysical log-layer shift. A hybrid computation is formulated here to allow greater control over the placement of LES and RANS regions and the transitions between them. The concept of model invariance is introduced, which provides a basis for interpreting hybrid results within an LES-RANS transition zone. Consequences of imposing model invariance include the addition of terms to the governing equations that compensate for unphysical gradients created as the model changes between RANS and LES. Computational results illustrate the increased accuracy of the approach and its insensitivity to the location of the transition and to the blending function employed.

Multiphase, multi-electrode Joule heat computations for glass melter and in situ vitrification simulations

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

Lowery, P.S.; Lessor, D.L.

Waste glass melter and in situ vitrification (ISV) processes represent the combination of electrical thermal, and fluid flow phenomena to produce a stable waste-from product. Computational modeling of the thermal and fluid flow aspects of these processes provides a useful tool for assessing the potential performance of proposed system designs. These computations can be performed at a fraction of the cost of experiment. Consequently, computational modeling of vitrification systems can also provide and economical means for assessing the suitability of a proposed process application. The computational model described in this paper employs finite difference representations of the basic continuum conservationmore » laws governing the thermal, fluid flow, and electrical aspects of the vitrification process -- i.e., conservation of mass, momentum, energy, and electrical charge. The resulting code is a member of the TEMPEST family of codes developed at the Pacific Northwest Laboratory (operated by Battelle for the US Department of Energy). This paper provides an overview of the numerical approach employed in TEMPEST. In addition, results from several TEMPEST simulations of sample waste glass melter and ISV processes are provided to illustrate the insights to be gained from computational modeling of these processes. 3 refs., 13 figs.« less

Using Computer Simulations for Promoting Model-based Reasoning. Epistemological and Educational Dimensions

NASA Astrophysics Data System (ADS)

Develaki, Maria

2017-11-01

Scientific reasoning is particularly pertinent to science education since it is closely related to the content and methodologies of science and contributes to scientific literacy. Much of the research in science education investigates the appropriate framework and teaching methods and tools needed to promote students' ability to reason and evaluate in a scientific way. This paper aims (a) to contribute to an extended understanding of the nature and pedagogical importance of model-based reasoning and (b) to exemplify how using computer simulations can support students' model-based reasoning. We provide first a background for both scientific reasoning and computer simulations, based on the relevant philosophical views and the related educational discussion. This background suggests that the model-based framework provides an epistemologically valid and pedagogically appropriate basis for teaching scientific reasoning and for helping students develop sounder reasoning and decision-taking abilities and explains how using computer simulations can foster these abilities. We then provide some examples illustrating the use of computer simulations to support model-based reasoning and evaluation activities in the classroom. The examples reflect the procedure and criteria for evaluating models in science and demonstrate the educational advantages of their application in classroom reasoning activities.

Computational Modeling of Tires

NASA Technical Reports Server (NTRS)

Noor, Ahmed K. (Compiler); Tanner, John A. (Compiler)

1995-01-01

This document contains presentations and discussions from the joint UVA/NASA Workshop on Computational Modeling of Tires. The workshop attendees represented NASA, the Army and Air force, tire companies, commercial software developers, and academia. The workshop objectives were to assess the state of technology in the computational modeling of tires and to provide guidelines for future research.

A distributed computing model for telemetry data processing

NASA Astrophysics Data System (ADS)

Barry, Matthew R.; Scott, Kevin L.; Weismuller, Steven P.

1994-05-01

We present a new approach to distributing processed telemetry data among spacecraft flight controllers within the control centers at NASA's Johnson Space Center. This approach facilitates the development of application programs which integrate spacecraft-telemetered data and ground-based synthesized data, then distributes this information to flight controllers for analysis and decision-making. The new approach combines various distributed computing models into one hybrid distributed computing model. The model employs both client-server and peer-to-peer distributed computing models cooperating to provide users with information throughout a diverse operations environment. Specifically, it provides an attractive foundation upon which we are building critical real-time monitoring and control applications, while simultaneously lending itself to peripheral applications in playback operations, mission preparations, flight controller training, and program development and verification. We have realized the hybrid distributed computing model through an information sharing protocol. We shall describe the motivations that inspired us to create this protocol, along with a brief conceptual description of the distributed computing models it employs. We describe the protocol design in more detail, discussing many of the program design considerations and techniques we have adopted. Finally, we describe how this model is especially suitable for supporting the implementation of distributed expert system applications.

A distributed computing model for telemetry data processing

NASA Technical Reports Server (NTRS)

Barry, Matthew R.; Scott, Kevin L.; Weismuller, Steven P.

1994-01-01

We present a new approach to distributing processed telemetry data among spacecraft flight controllers within the control centers at NASA's Johnson Space Center. This approach facilitates the development of application programs which integrate spacecraft-telemetered data and ground-based synthesized data, then distributes this information to flight controllers for analysis and decision-making. The new approach combines various distributed computing models into one hybrid distributed computing model. The model employs both client-server and peer-to-peer distributed computing models cooperating to provide users with information throughout a diverse operations environment. Specifically, it provides an attractive foundation upon which we are building critical real-time monitoring and control applications, while simultaneously lending itself to peripheral applications in playback operations, mission preparations, flight controller training, and program development and verification. We have realized the hybrid distributed computing model through an information sharing protocol. We shall describe the motivations that inspired us to create this protocol, along with a brief conceptual description of the distributed computing models it employs. We describe the protocol design in more detail, discussing many of the program design considerations and techniques we have adopted. Finally, we describe how this model is especially suitable for supporting the implementation of distributed expert system applications.

Computational Modeling of Space Physiology

NASA Technical Reports Server (NTRS)

Lewandowski, Beth E.; Griffin, Devon W.

2016-01-01

The Digital Astronaut Project (DAP), within NASAs Human Research Program, develops and implements computational modeling for use in the mitigation of human health and performance risks associated with long duration spaceflight. Over the past decade, DAP developed models to provide insights into space flight related changes to the central nervous system, cardiovascular system and the musculoskeletal system. Examples of the models and their applications include biomechanical models applied to advanced exercise device development, bone fracture risk quantification for mission planning, accident investigation, bone health standards development, and occupant protection. The International Space Station (ISS), in its role as a testing ground for long duration spaceflight, has been an important platform for obtaining human spaceflight data. DAP has used preflight, in-flight and post-flight data from short and long duration astronauts for computational model development and validation. Examples include preflight and post-flight bone mineral density data, muscle cross-sectional area, and muscle strength measurements. Results from computational modeling supplement space physiology research by informing experimental design. Using these computational models, DAP personnel can easily identify both important factors associated with a phenomenon and areas where data are lacking. This presentation will provide examples of DAP computational models, the data used in model development and validation, and applications of the model.

Models and techniques for evaluating the effectiveness of aircraft computing systems

NASA Technical Reports Server (NTRS)

Meyer, J. F.

1978-01-01

The development of system models that can provide a basis for the formulation and evaluation of aircraft computer system effectiveness, the formulation of quantitative measures of system effectiveness, and the development of analytic and simulation techniques for evaluating the effectiveness of a proposed or existing aircraft computer are described. Specific topics covered include: system models; performability evaluation; capability and functional dependence; computation of trajectory set probabilities; and hierarchical modeling of an air transport mission.

The Use of Computer Simulation Techniques in Educational Planning.

ERIC Educational Resources Information Center

Wilson, Charles Z.

Computer simulations provide powerful models for establishing goals, guidelines, and constraints in educational planning. They are dynamic models that allow planners to examine logical descriptions of organizational behavior over time as well as permitting consideration of the large and complex systems required to provide realistic descriptions of…

Condor-COPASI: high-throughput computing for biochemical networks

PubMed Central

2012-01-01

Background Mathematical modelling has become a standard technique to improve our understanding of complex biological systems. As models become larger and more complex, simulations and analyses require increasing amounts of computational power. Clusters of computers in a high-throughput computing environment can help to provide the resources required for computationally expensive model analysis. However, exploiting such a system can be difficult for users without the necessary expertise. Results We present Condor-COPASI, a server-based software tool that integrates COPASI, a biological pathway simulation tool, with Condor, a high-throughput computing environment. Condor-COPASI provides a web-based interface, which makes it extremely easy for a user to run a number of model simulation and analysis tasks in parallel. Tasks are transparently split into smaller parts, and submitted for execution on a Condor pool. Result output is presented to the user in a number of formats, including tables and interactive graphical displays. Conclusions Condor-COPASI can effectively use a Condor high-throughput computing environment to provide significant gains in performance for a number of model simulation and analysis tasks. Condor-COPASI is free, open source software, released under the Artistic License 2.0, and is suitable for use by any institution with access to a Condor pool. Source code is freely available for download at http://code.google.com/p/condor-copasi/, along with full instructions on deployment and usage. PMID:22834945

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

Farrell, Kathryn, E-mail: kfarrell@ices.utexas.edu; Oden, J. Tinsley, E-mail: oden@ices.utexas.edu; Faghihi, Danial, E-mail: danial@ices.utexas.edu

A general adaptive modeling algorithm for selection and validation of coarse-grained models of atomistic systems is presented. A Bayesian framework is developed to address uncertainties in parameters, data, and model selection. Algorithms for computing output sensitivities to parameter variances, model evidence and posterior model plausibilities for given data, and for computing what are referred to as Occam Categories in reference to a rough measure of model simplicity, make up components of the overall approach. Computational results are provided for representative applications.

Computer Security Models

DTIC Science & Technology

1984-09-01

Verification Technique for a Class of Security Kernels," International Symposium on Programming , Lecture Notes in Computer Science 137, Springer-Verlag, New York...September 1984 MTR9S31 " J. K. Millen Computer Security C. M. Cerniglia Models * 0 Ne c - ¢- C. S• ~CONTRACT SPONSOR OUSDRE/C31 & ESO/ALEE...ABSTRACT The purpose of this report is to provide a basis for evaluating security models in the context of secure computer system development

Computing Linear Mathematical Models Of Aircraft

NASA Technical Reports Server (NTRS)

Duke, Eugene L.; Antoniewicz, Robert F.; Krambeer, Keith D.

1991-01-01

Derivation and Definition of Linear Aircraft Model (LINEAR) computer program provides user with powerful, and flexible, standard, documented, and verified software tool for linearization of mathematical models of aerodynamics of aircraft. Intended for use in software tool to drive linear analysis of stability and design of control laws for aircraft. Capable of both extracting such linearized engine effects as net thrust, torque, and gyroscopic effects, and including these effects in linear model of system. Designed to provide easy selection of state, control, and observation variables used in particular model. Also provides flexibility of allowing alternate formulations of both state and observation equations. Written in FORTRAN.

Program listing for the REEDM (Rocket Exhaust Effluent Diffusion Model) computer program

NASA Technical Reports Server (NTRS)

Bjorklund, J. R.; Dumbauld, R. K.; Cheney, C. S.; Geary, H. V.

1982-01-01

The program listing for the REEDM Computer Program is provided. A mathematical description of the atmospheric dispersion models, cloud-rise models, and other formulas used in the REEDM model; vehicle and source parameters, other pertinent physical properties of the rocket exhaust cloud and meteorological layering techniques; user's instructions for the REEDM computer program; and worked example problems are contained in NASA CR-3646.

Data mining in soft computing framework: a survey.

PubMed

Mitra, S; Pal, S K; Mitra, P

2002-01-01

The present article provides a survey of the available literature on data mining using soft computing. A categorization has been provided based on the different soft computing tools and their hybridizations used, the data mining function implemented, and the preference criterion selected by the model. The utility of the different soft computing methodologies is highlighted. Generally fuzzy sets are suitable for handling the issues related to understandability of patterns, incomplete/noisy data, mixed media information and human interaction, and can provide approximate solutions faster. Neural networks are nonparametric, robust, and exhibit good learning and generalization capabilities in data-rich environments. Genetic algorithms provide efficient search algorithms to select a model, from mixed media data, based on some preference criterion/objective function. Rough sets are suitable for handling different types of uncertainty in data. Some challenges to data mining and the application of soft computing methodologies are indicated. An extensive bibliography is also included.

DAKOTA Design Analysis Kit for Optimization and Terascale

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

Adams, Brian M.; Dalbey, Keith R.; Eldred, Michael S.

2010-02-24

The DAKOTA (Design Analysis Kit for Optimization and Terascale Applications) toolkit provides a flexible and extensible interface between simulation codes (computational models) and iterative analysis methods. By employing object-oriented design to implement abstractions of the key components required for iterative systems analyses, the DAKOTA toolkit provides a flexible and extensible problem-solving environment for design and analysis of computational models on high performance computers.A user provides a set of DAKOTA commands in an input file and launches DAKOTA. DAKOTA invokes instances of the computational models, collects their results, and performs systems analyses. DAKOTA contains algorithms for optimization with gradient and nongradient-basedmore » methods; uncertainty quantification with sampling, reliability, polynomial chaos, stochastic collocation, and epistemic methods; parameter estimation with nonlinear least squares methods; and sensitivity/variance analysis with design of experiments and parameter study methods. These capabilities may be used on their own or as components within advanced strategies such as hybrid optimization, surrogate-based optimization, mixed integer nonlinear programming, or optimization under uncertainty. Services for parallel computing, simulation interfacing, approximation modeling, fault tolerance, restart, and graphics are also included.« less

An emulator for minimizing finite element analysis implementation resources

NASA Technical Reports Server (NTRS)

Melosh, R. J.; Utku, S.; Salama, M.; Islam, M.

1982-01-01

A finite element analysis emulator providing a basis for efficiently establishing an optimum computer implementation strategy when many calculations are involved is described. The SCOPE emulator determines computer resources required as a function of the structural model, structural load-deflection equation characteristics, the storage allocation plan, and computer hardware capabilities. Thereby, it provides data for trading analysis implementation options to arrive at a best strategy. The models contained in SCOPE lead to micro-operation computer counts of each finite element operation as well as overall computer resource cost estimates. Application of SCOPE to the Memphis-Arkansas bridge analysis provides measures of the accuracy of resource assessments. Data indicate that predictions are within 17.3 percent for calculation times and within 3.2 percent for peripheral storage resources for the ELAS code.

Fundamentals of Modeling, Data Assimilation, and High-performance Computing

NASA Technical Reports Server (NTRS)

Rood, Richard B.

2005-01-01

This lecture will introduce the concepts of modeling, data assimilation and high- performance computing as it relates to the study of atmospheric composition. The lecture will work from basic definitions and will strive to provide a framework for thinking about development and application of models and data assimilation systems. It will not provide technical or algorithmic information, leaving that to textbooks, technical reports, and ultimately scientific journals. References to a number of textbooks and papers will be provided as a gateway to the literature.

Performance Analysis of Cloud Computing Architectures Using Discrete Event Simulation

NASA Technical Reports Server (NTRS)

Stocker, John C.; Golomb, Andrew M.

2011-01-01

Cloud computing offers the economic benefit of on-demand resource allocation to meet changing enterprise computing needs. However, the flexibility of cloud computing is disadvantaged when compared to traditional hosting in providing predictable application and service performance. Cloud computing relies on resource scheduling in a virtualized network-centric server environment, which makes static performance analysis infeasible. We developed a discrete event simulation model to evaluate the overall effectiveness of organizations in executing their workflow in traditional and cloud computing architectures. The two part model framework characterizes both the demand using a probability distribution for each type of service request as well as enterprise computing resource constraints. Our simulations provide quantitative analysis to design and provision computing architectures that maximize overall mission effectiveness. We share our analysis of key resource constraints in cloud computing architectures and findings on the appropriateness of cloud computing in various applications.

Applications integration in a hybrid cloud computing environment: modelling and platform

NASA Astrophysics Data System (ADS)

Li, Qing; Wang, Ze-yuan; Li, Wei-hua; Li, Jun; Wang, Cheng; Du, Rui-yang

2013-08-01

With the development of application services providers and cloud computing, more and more small- and medium-sized business enterprises use software services and even infrastructure services provided by professional information service companies to replace all or part of their information systems (ISs). These information service companies provide applications, such as data storage, computing processes, document sharing and even management information system services as public resources to support the business process management of their customers. However, no cloud computing service vendor can satisfy the full functional IS requirements of an enterprise. As a result, enterprises often have to simultaneously use systems distributed in different clouds and their intra enterprise ISs. Thus, this article presents a framework to integrate applications deployed in public clouds and intra ISs. A run-time platform is developed and a cross-computing environment process modelling technique is also developed to improve the feasibility of ISs under hybrid cloud computing environments.

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

Demeure, I.M.

The research presented here is concerned with representation techniques and tools to support the design, prototyping, simulation, and evaluation of message-based parallel, distributed computations. The author describes ParaDiGM-Parallel, Distributed computation Graph Model-a visual representation technique for parallel, message-based distributed computations. ParaDiGM provides several views of a computation depending on the aspect of concern. It is made of two complementary submodels, the DCPG-Distributed Computing Precedence Graph-model, and the PAM-Process Architecture Model-model. DCPGs are precedence graphs used to express the functionality of a computation in terms of tasks, message-passing, and data. PAM graphs are used to represent the partitioning of a computationmore » into schedulable units or processes, and the pattern of communication among those units. There is a natural mapping between the two models. He illustrates the utility of ParaDiGM as a representation technique by applying it to various computations (e.g., an adaptive global optimization algorithm, the client-server model). ParaDiGM representations are concise. They can be used in documenting the design and the implementation of parallel, distributed computations, in describing such computations to colleagues, and in comparing and contrasting various implementations of the same computation. He then describes VISA-VISual Assistant, a software tool to support the design, prototyping, and simulation of message-based parallel, distributed computations. VISA is based on the ParaDiGM model. In particular, it supports the editing of ParaDiGM graphs to describe the computations of interest, and the animation of these graphs to provide visual feedback during simulations. The graphs are supplemented with various attributes, simulation parameters, and interpretations which are procedures that can be executed by VISA.« less

Toward an automated parallel computing environment for geosciences

NASA Astrophysics Data System (ADS)

Zhang, Huai; Liu, Mian; Shi, Yaolin; Yuen, David A.; Yan, Zhenzhen; Liang, Guoping

2007-08-01

Software for geodynamic modeling has not kept up with the fast growing computing hardware and network resources. In the past decade supercomputing power has become available to most researchers in the form of affordable Beowulf clusters and other parallel computer platforms. However, to take full advantage of such computing power requires developing parallel algorithms and associated software, a task that is often too daunting for geoscience modelers whose main expertise is in geosciences. We introduce here an automated parallel computing environment built on open-source algorithms and libraries. Users interact with this computing environment by specifying the partial differential equations, solvers, and model-specific properties using an English-like modeling language in the input files. The system then automatically generates the finite element codes that can be run on distributed or shared memory parallel machines. This system is dynamic and flexible, allowing users to address different problems in geosciences. It is capable of providing web-based services, enabling users to generate source codes online. This unique feature will facilitate high-performance computing to be integrated with distributed data grids in the emerging cyber-infrastructures for geosciences. In this paper we discuss the principles of this automated modeling environment and provide examples to demonstrate its versatility.

Evolving Non-Dominated Parameter Sets for Computational Models from Multiple Experiments

NASA Astrophysics Data System (ADS)

Lane, Peter C. R.; Gobet, Fernand

2013-03-01

Creating robust, reproducible and optimal computational models is a key challenge for theorists in many sciences. Psychology and cognitive science face particular challenges as large amounts of data are collected and many models are not amenable to analytical techniques for calculating parameter sets. Particular problems are to locate the full range of acceptable model parameters for a given dataset, and to confirm the consistency of model parameters across different datasets. Resolving these problems will provide a better understanding of the behaviour of computational models, and so support the development of general and robust models. In this article, we address these problems using evolutionary algorithms to develop parameters for computational models against multiple sets of experimental data; in particular, we propose the `speciated non-dominated sorting genetic algorithm' for evolving models in several theories. We discuss the problem of developing a model of categorisation using twenty-nine sets of data and models drawn from four different theories. We find that the evolutionary algorithms generate high quality models, adapted to provide a good fit to all available data.

The Research of the Parallel Computing Development from the Angle of Cloud Computing

NASA Astrophysics Data System (ADS)

Peng, Zhensheng; Gong, Qingge; Duan, Yanyu; Wang, Yun

2017-10-01

Cloud computing is the development of parallel computing, distributed computing and grid computing. The development of cloud computing makes parallel computing come into people’s lives. Firstly, this paper expounds the concept of cloud computing and introduces two several traditional parallel programming model. Secondly, it analyzes and studies the principles, advantages and disadvantages of OpenMP, MPI and Map Reduce respectively. Finally, it takes MPI, OpenMP models compared to Map Reduce from the angle of cloud computing. The results of this paper are intended to provide a reference for the development of parallel computing.

Computer model for economic study of unbleached kraft paperboard production

Treesearch

Peter J. Ince

1984-01-01

Unbleached kraft paperboard is produced from wood fiber in an industrial papermaking process. A highly specific and detailed model of the process is presented. The model is also presented as a working computer program. A user of the computer program will provide data on physical parameters of the process and on prices of material inputs and outputs. The program is then...

A computational model for telomere-dependent cell-replicative aging.

PubMed

Portugal, R D; Land, M G P; Svaiter, B F

2008-01-01

Telomere shortening provides a molecular basis for the Hayflick limit. Recent data suggest that telomere shortening also influence mitotic rate. We propose a stochastic growth model of this phenomena, assuming that cell division in each time interval is a random process which probability decreases linearly with telomere shortening. Computer simulations of the proposed stochastic telomere-regulated model provides good approximation of the qualitative growth of cultured human mesenchymal stem cells.

PROTO-PLASM: parallel language for adaptive and scalable modelling of biosystems.

PubMed

Bajaj, Chandrajit; DiCarlo, Antonio; Paoluzzi, Alberto

2008-09-13

This paper discusses the design goals and the first developments of PROTO-PLASM, a novel computational environment to produce libraries of executable, combinable and customizable computer models of natural and synthetic biosystems, aiming to provide a supporting framework for predictive understanding of structure and behaviour through multiscale geometric modelling and multiphysics simulations. Admittedly, the PROTO-PLASM platform is still in its infancy. Its computational framework--language, model library, integrated development environment and parallel engine--intends to provide patient-specific computational modelling and simulation of organs and biosystem, exploiting novel functionalities resulting from the symbolic combination of parametrized models of parts at various scales. PROTO-PLASM may define the model equations, but it is currently focused on the symbolic description of model geometry and on the parallel support of simulations. Conversely, CellML and SBML could be viewed as defining the behavioural functions (the model equations) to be used within a PROTO-PLASM program. Here we exemplify the basic functionalities of PROTO-PLASM, by constructing a schematic heart model. We also discuss multiscale issues with reference to the geometric and physical modelling of neuromuscular junctions.

Proto-Plasm: parallel language for adaptive and scalable modelling of biosystems

PubMed Central

Bajaj, Chandrajit; DiCarlo, Antonio; Paoluzzi, Alberto

2008-01-01

This paper discusses the design goals and the first developments of Proto-Plasm, a novel computational environment to produce libraries of executable, combinable and customizable computer models of natural and synthetic biosystems, aiming to provide a supporting framework for predictive understanding of structure and behaviour through multiscale geometric modelling and multiphysics simulations. Admittedly, the Proto-Plasm platform is still in its infancy. Its computational framework—language, model library, integrated development environment and parallel engine—intends to provide patient-specific computational modelling and simulation of organs and biosystem, exploiting novel functionalities resulting from the symbolic combination of parametrized models of parts at various scales. Proto-Plasm may define the model equations, but it is currently focused on the symbolic description of model geometry and on the parallel support of simulations. Conversely, CellML and SBML could be viewed as defining the behavioural functions (the model equations) to be used within a Proto-Plasm program. Here we exemplify the basic functionalities of Proto-Plasm, by constructing a schematic heart model. We also discuss multiscale issues with reference to the geometric and physical modelling of neuromuscular junctions. PMID:18559320

Computer modeling of human decision making

NASA Technical Reports Server (NTRS)

Gevarter, William B.

1991-01-01

Models of human decision making are reviewed. Models which treat just the cognitive aspects of human behavior are included as well as models which include motivation. Both models which have associated computer programs, and those that do not, are considered. Since flow diagrams, that assist in constructing computer simulation of such models, were not generally available, such diagrams were constructed and are presented. The result provides a rich source of information, which can aid in construction of more realistic future simulations of human decision making.

Computational models of neuromodulation.

PubMed

Fellous, J M; Linster, C

1998-05-15

Computational modeling of neural substrates provides an excellent theoretical framework for the understanding of the computational roles of neuromodulation. In this review, we illustrate, with a large number of modeling studies, the specific computations performed by neuromodulation in the context of various neural models of invertebrate and vertebrate preparations. We base our characterization of neuromodulations on their computational and functional roles rather than on anatomical or chemical criteria. We review the main framework in which neuromodulation has been studied theoretically (central pattern generation and oscillations, sensory processing, memory and information integration). Finally, we present a detailed mathematical overview of how neuromodulation has been implemented at the single cell and network levels in modeling studies. Overall, neuromodulation is found to increase and control computational complexity.

Development and validation of rear impact computer simulation model of an adult manual transit wheelchair with a seated occupant.

PubMed

Salipur, Zdravko; Bertocci, Gina

2010-01-01

It has been shown that ANSI WC19 transit wheelchairs that are crashworthy in frontal impact exhibit catastrophic failures in rear impact and may not be able to provide stable seating support and thus occupant protection for the wheelchair occupant. Thus far only limited sled test and computer simulation data have been available to study rear impact wheelchair safety. Computer modeling can be used as an economic and comprehensive tool to gain critical knowledge regarding wheelchair integrity and occupant safety. This study describes the development and validation of a computer model simulating an adult wheelchair-seated occupant subjected to a rear impact event. The model was developed in MADYMO and validated rigorously using the results of three similar sled tests conducted to specifications provided in the draft ISO/TC 173 standard. Outcomes from the model can provide critical wheelchair loading information to wheelchair and tiedown manufacturers, resulting in safer wheelchair designs for rear impact conditions. (c) 2009 IPEM. Published by Elsevier Ltd. All rights reserved.

Parallel Optimization of 3D Cardiac Electrophysiological Model Using GPU

PubMed Central

Xia, Yong; Zhang, Henggui

2015-01-01

Large-scale 3D virtual heart model simulations are highly demanding in computational resources. This imposes a big challenge to the traditional computation resources based on CPU environment, which already cannot meet the requirement of the whole computation demands or are not easily available due to expensive costs. GPU as a parallel computing environment therefore provides an alternative to solve the large-scale computational problems of whole heart modeling. In this study, using a 3D sheep atrial model as a test bed, we developed a GPU-based simulation algorithm to simulate the conduction of electrical excitation waves in the 3D atria. In the GPU algorithm, a multicellular tissue model was split into two components: one is the single cell model (ordinary differential equation) and the other is the diffusion term of the monodomain model (partial differential equation). Such a decoupling enabled realization of the GPU parallel algorithm. Furthermore, several optimization strategies were proposed based on the features of the virtual heart model, which enabled a 200-fold speedup as compared to a CPU implementation. In conclusion, an optimized GPU algorithm has been developed that provides an economic and powerful platform for 3D whole heart simulations. PMID:26581957

Parallel Optimization of 3D Cardiac Electrophysiological Model Using GPU.

PubMed

Xia, Yong; Wang, Kuanquan; Zhang, Henggui

2015-01-01

Large-scale 3D virtual heart model simulations are highly demanding in computational resources. This imposes a big challenge to the traditional computation resources based on CPU environment, which already cannot meet the requirement of the whole computation demands or are not easily available due to expensive costs. GPU as a parallel computing environment therefore provides an alternative to solve the large-scale computational problems of whole heart modeling. In this study, using a 3D sheep atrial model as a test bed, we developed a GPU-based simulation algorithm to simulate the conduction of electrical excitation waves in the 3D atria. In the GPU algorithm, a multicellular tissue model was split into two components: one is the single cell model (ordinary differential equation) and the other is the diffusion term of the monodomain model (partial differential equation). Such a decoupling enabled realization of the GPU parallel algorithm. Furthermore, several optimization strategies were proposed based on the features of the virtual heart model, which enabled a 200-fold speedup as compared to a CPU implementation. In conclusion, an optimized GPU algorithm has been developed that provides an economic and powerful platform for 3D whole heart simulations.

A Computational Workflow for the Automated Generation of Models of Genetic Designs.

PubMed

Misirli, Göksel; Nguyen, Tramy; McLaughlin, James Alastair; Vaidyanathan, Prashant; Jones, Timothy S; Densmore, Douglas; Myers, Chris; Wipat, Anil

2018-06-05

Computational models are essential to engineer predictable biological systems and to scale up this process for complex systems. Computational modeling often requires expert knowledge and data to build models. Clearly, manual creation of models is not scalable for large designs. Despite several automated model construction approaches, computational methodologies to bridge knowledge in design repositories and the process of creating computational models have still not been established. This paper describes a workflow for automatic generation of computational models of genetic circuits from data stored in design repositories using existing standards. This workflow leverages the software tool SBOLDesigner to build structural models that are then enriched by the Virtual Parts Repository API using Systems Biology Open Language (SBOL) data fetched from the SynBioHub design repository. The iBioSim software tool is then utilized to convert this SBOL description into a computational model encoded using the Systems Biology Markup Language (SBML). Finally, this SBML model can be simulated using a variety of methods. This workflow provides synthetic biologists with easy to use tools to create predictable biological systems, hiding away the complexity of building computational models. This approach can further be incorporated into other computational workflows for design automation.

Computer Integrated Manufacturing: Physical Modelling Systems Design. A Personal View.

ERIC Educational Resources Information Center

Baker, Richard

A computer-integrated manufacturing (CIM) Physical Modeling Systems Design project was undertaken in a time of rapid change in the industrial, business, technological, training, and educational areas in Australia. A specification of a manufacturing physical modeling system was drawn up. Physical modeling provides a flexibility and configurability…

Computer modeling and simulation of human movement. Applications in sport and rehabilitation.

PubMed

Neptune, R R

2000-05-01

Computer modeling and simulation of human movement plays an increasingly important role in sport and rehabilitation, with applications ranging from sport equipment design to understanding pathologic gait. The complex dynamic interactions within the musculoskeletal and neuromuscular systems make analyzing human movement with existing experimental techniques difficult but computer modeling and simulation allows for the identification of these complex interactions and causal relationships between input and output variables. This article provides an overview of computer modeling and simulation and presents an example application in the field of rehabilitation.

Roadmap for cardiovascular circulation model

PubMed Central

Bradley, Christopher P.; Suresh, Vinod; Mithraratne, Kumar; Muller, Alexandre; Ho, Harvey; Ladd, David; Hellevik, Leif R.; Omholt, Stig W.; Chase, J. Geoffrey; Müller, Lucas O.; Watanabe, Sansuke M.; Blanco, Pablo J.; de Bono, Bernard; Hunter, Peter J.

2016-01-01

Abstract Computational models of many aspects of the mammalian cardiovascular circulation have been developed. Indeed, along with orthopaedics, this area of physiology is one that has attracted much interest from engineers, presumably because the equations governing blood flow in the vascular system are well understood and can be solved with well‐established numerical techniques. Unfortunately, there have been only a few attempts to create a comprehensive public domain resource for cardiovascular researchers. In this paper we propose a roadmap for developing an open source cardiovascular circulation model. The model should be registered to the musculo‐skeletal system. The computational infrastructure for the cardiovascular model should provide for near real‐time computation of blood flow and pressure in all parts of the body. The model should deal with vascular beds in all tissues, and the computational infrastructure for the model should provide links into CellML models of cell function and tissue function. In this work we review the literature associated with 1D blood flow modelling in the cardiovascular system, discuss model encoding standards, software and a model repository. We then describe the coordinate systems used to define the vascular geometry, derive the equations and discuss the implementation of these coupled equations in the open source computational software OpenCMISS. Finally, some preliminary results are presented and plans outlined for the next steps in the development of the model, the computational software and the graphical user interface for accessing the model. PMID:27506597

Roadmap for cardiovascular circulation model.

PubMed

Safaei, Soroush; Bradley, Christopher P; Suresh, Vinod; Mithraratne, Kumar; Muller, Alexandre; Ho, Harvey; Ladd, David; Hellevik, Leif R; Omholt, Stig W; Chase, J Geoffrey; Müller, Lucas O; Watanabe, Sansuke M; Blanco, Pablo J; de Bono, Bernard; Hunter, Peter J

2016-12-01

Computational models of many aspects of the mammalian cardiovascular circulation have been developed. Indeed, along with orthopaedics, this area of physiology is one that has attracted much interest from engineers, presumably because the equations governing blood flow in the vascular system are well understood and can be solved with well-established numerical techniques. Unfortunately, there have been only a few attempts to create a comprehensive public domain resource for cardiovascular researchers. In this paper we propose a roadmap for developing an open source cardiovascular circulation model. The model should be registered to the musculo-skeletal system. The computational infrastructure for the cardiovascular model should provide for near real-time computation of blood flow and pressure in all parts of the body. The model should deal with vascular beds in all tissues, and the computational infrastructure for the model should provide links into CellML models of cell function and tissue function. In this work we review the literature associated with 1D blood flow modelling in the cardiovascular system, discuss model encoding standards, software and a model repository. We then describe the coordinate systems used to define the vascular geometry, derive the equations and discuss the implementation of these coupled equations in the open source computational software OpenCMISS. Finally, some preliminary results are presented and plans outlined for the next steps in the development of the model, the computational software and the graphical user interface for accessing the model. © 2016 The Authors. The Journal of Physiology © 2016 The Physiological Society.

Making classical ground-state spin computing fault-tolerant.

PubMed

Crosson, I J; Bacon, D; Brown, K R

2010-09-01

We examine a model of classical deterministic computing in which the ground state of the classical system is a spatial history of the computation. This model is relevant to quantum dot cellular automata as well as to recent universal adiabatic quantum computing constructions. In its most primitive form, systems constructed in this model cannot compute in an error-free manner when working at nonzero temperature. However, by exploiting a mapping between the partition function for this model and probabilistic classical circuits we are able to show that it is possible to make this model effectively error-free. We achieve this by using techniques in fault-tolerant classical computing and the result is that the system can compute effectively error-free if the temperature is below a critical temperature. We further link this model to computational complexity and show that a certain problem concerning finite temperature classical spin systems is complete for the complexity class Merlin-Arthur. This provides an interesting connection between the physical behavior of certain many-body spin systems and computational complexity.

Reduced-Order Modeling: New Approaches for Computational Physics

NASA Technical Reports Server (NTRS)

Beran, Philip S.; Silva, Walter A.

2001-01-01

In this paper, we review the development of new reduced-order modeling techniques and discuss their applicability to various problems in computational physics. Emphasis is given to methods ba'sed on Volterra series representations and the proper orthogonal decomposition. Results are reported for different nonlinear systems to provide clear examples of the construction and use of reduced-order models, particularly in the multi-disciplinary field of computational aeroelasticity. Unsteady aerodynamic and aeroelastic behaviors of two- dimensional and three-dimensional geometries are described. Large increases in computational efficiency are obtained through the use of reduced-order models, thereby justifying the initial computational expense of constructing these models and inotivatim,- their use for multi-disciplinary design analysis.

A Prototype System for a Computer-Based Statewide Film Library Network: A Model for Operation. Statewide Film Library Network: System-1 Specifications - Files.

ERIC Educational Resources Information Center

Sullivan, Todd

Using an IBM System/360 Model 50 computer, the New York Statewide Film Library Network schedules film use, reports on materials handling and statistics, and provides for interlibrary loan of films. Communications between the film libraries and the computer are maintained by Teletype model 33 ASR Teletypewriter terminals operating on TWX…

The SCEC Community Modeling Environment (SCEC/CME) - An Overview of its Architecture and Current Capabilities

NASA Astrophysics Data System (ADS)

Maechling, P. J.; Jordan, T. H.; Minster, B.; Moore, R.; Kesselman, C.; SCEC ITR Collaboration

2004-12-01

The Southern California Earthquake Center (SCEC), in collaboration with the San Diego Supercomputer Center, the USC Information Sciences Institute, the Incorporated Research Institutions for Seismology, and the U.S. Geological Survey, is developing the Southern California Earthquake Center Community Modeling Environment (CME) under a five-year grant from the National Science Foundation's Information Technology Research (ITR) Program jointly funded by the Geosciences and Computer and Information Science & Engineering Directorates. The CME system is an integrated geophysical simulation modeling framework that automates the process of selecting, configuring, and executing models of earthquake systems. During the Project's first three years, we have performed fundamental geophysical and information technology research and have also developed substantial system capabilities, software tools, and data collections that can help scientist perform systems-level earthquake science. The CME system provides collaborative tools to facilitate distributed research and development. These collaborative tools are primarily communication tools, providing researchers with access to information in ways that are convenient and useful. The CME system provides collaborators with access to significant computing and storage resources. The computing resources of the Project include in-house servers, Project allocations on USC High Performance Computing Linux Cluster, as well as allocations on NPACI Supercomputers and the TeraGrid. The CME system provides access to SCEC community geophysical models such as the Community Velocity Model, Community Fault Model, Community Crustal Motion Model, and the Community Block Model. The organizations that develop these models often provide access to them so it is not necessary to use the CME system to access these models. However, in some cases, the CME system supplements the SCEC community models with utility codes that make it easier to use or access these models. In some cases, the CME system also provides alternatives to the SCEC community models. The CME system hosts a collection of community geophysical software codes. These codes include seismic hazard analysis (SHA) programs developed by the SCEC/USGS OpenSHA group. Also, the CME system hosts anelastic wave propagation codes including Kim Olsen's Finite Difference code and Carnegie Mellon's Hercules Finite Element tool chain. The CME system can execute a workflow, that is, a series of geophysical computations using the output of one processing step as the input to a subsequent step. Our workflow capability utilizes grid-based computing software that can submit calculations to a pool of computing resources as well as data management tools that help us maintain an association between data files and metadata descriptions of those files. The CME system maintains, and provides access to, a collection of valuable geophysical data sets. The current CME Digital Library holdings include a collection of 60 ground motion simulation results calculated by a SCEC/PEER working group and a collection of Greens Functions calculated for 33 TriNet broadband receiver sites in the Los Angeles area.

Design and analysis of a global sub-mesoscale and tidal dynamics admitting virtual ocean.

NASA Astrophysics Data System (ADS)

Menemenlis, D.; Hill, C. N.

2016-02-01

We will describe the techniques used to realize a global kilometerscale ocean model configuration that includes representation of sea-ice and tidal excitation, and spans scales from planetary gyres to internal tides. A simulation using this model configuration provides a virtual ocean that admits some sub-mesoscale dynamics and tidal energetics not normally represented in global calculations. This extends simulated ocean behavior beyond broadly quasi-geostrophic flows and provides a preliminary example of a next generation computational approach to explicitly probing the interactions between instabilities that are usually parameterized and dominant energetic scales in the ocean. From previous process studies we have ascertained that this can lead to a qualitative improvement in the realism of many significant processes including geostrophic eddy dynamics, shelf-break exchange and topographic mixing. Computationally we exploit high-degrees of parallelism in both numerical evaluation and in recording model state to persistent disk storage. Together this allows us to compute and record a full three-dimensional model trajectory at hourly frequency for a timeperiod of 5 months with less than 9 million core hours of parallel computer time, using the present generation NASA Ames Research Center facilities. We have used this capability to create a 5 month trajectory archive, sampled at high spatial and temporal frequency for an ocean configuration that is initialized from a realistic data-assimilated state and driven with reanalysis surface forcing from ECMWF. The resulting database of model state provides a novel virtual laboratory for exploring coupling across scales in the ocean, and for testing ideas on the relationship between small scale fluxes and large scale state. The computation is complemented by counterpart computations that are coarsened two and four times respectively. In this presentation we will review the computational and numerical technologies employed and show how the high spatio-temporal frequency archive of model state can provide a new and promising tool for researching richer ocean dynamics at scale. We will also outline how computations of this nature could be combined with next generation computer hardware plans to help inform important climate process questions.

Perceptual category learning and visual processing: An exercise in computational cognitive neuroscience.

PubMed

Cantwell, George; Riesenhuber, Maximilian; Roeder, Jessica L; Ashby, F Gregory

2017-05-01

The field of computational cognitive neuroscience (CCN) builds and tests neurobiologically detailed computational models that account for both behavioral and neuroscience data. This article leverages a key advantage of CCN-namely, that it should be possible to interface different CCN models in a plug-and-play fashion-to produce a new and biologically detailed model of perceptual category learning. The new model was created from two existing CCN models: the HMAX model of visual object processing and the COVIS model of category learning. Using bitmap images as inputs and by adjusting only a couple of learning-rate parameters, the new HMAX/COVIS model provides impressively good fits to human category-learning data from two qualitatively different experiments that used different types of category structures and different types of visual stimuli. Overall, the model provides a comprehensive neural and behavioral account of basal ganglia-mediated learning. Copyright © 2017 Elsevier Ltd. All rights reserved.

Computer-Aided Light Sheet Flow Visualization

NASA Technical Reports Server (NTRS)

Stacy, Kathryn; Severance, Kurt; Childers, Brooks A.

1993-01-01

A computer-aided flow visualization process has been developed to analyze video images acquired from rotating and translating light sheet visualization systems. The computer process integrates a mathematical model for image reconstruction, advanced computer graphics concepts, and digital image processing to provide a quantitative and visual analysis capability. The image reconstruction model, based on photogrammetry, uses knowledge of the camera and light sheet locations and orientations to project two-dimensional light sheet video images into three-dimensional space. A sophisticated computer visualization package, commonly used to analyze computational fluid dynamics (CFD) data sets, was chosen to interactively display the reconstructed light sheet images, along with the numerical surface geometry for the model or aircraft under study. A description is provided of the photogrammetric reconstruction technique, and the image processing and computer graphics techniques and equipment. Results of the computer aided process applied to both a wind tunnel translating light sheet experiment and an in-flight rotating light sheet experiment are presented. The capability to compare reconstructed experimental light sheet images and CFD solutions in the same graphics environment is also demonstrated.

An Inviscid Computational Study of the Space Shuttle Orbiter and Several Damaged Configurations

NASA Technical Reports Server (NTRS)

Prabhu, Ramadas K.; Merski, N. Ronald (Technical Monitor)

2004-01-01

Inviscid aerodynamic characteristics of the Space Shuttle Orbiter were computed in support of the Columbia Accident Investigation. The unstructured grid software FELISA was used and computations were done using freestream conditions corresponding to those in the NASA Langley 20-Inch Mach 6 CF4 tunnel test section. The angle of attack was held constant at 40 degrees. The baseline (undamaged) configuration and a large number of damaged configurations of the Orbiter were studied. Most of the computations were done on a half model. However, one set of computations was done using the full-model to study the effect of sideslip. The differences in the aerodynamic coefficients for the damaged and the baseline configurations were computed. Simultaneously with the computation reported here, tests were being done on a scale model of the Orbiter in the 20-Inch Mach 6 CF4 tunnel to measure the deltas . The present computations complemented the CF4 tunnel test, and provided aerodynamic coefficients of the Orbiter as well as its components. Further, they also provided details of the flow field.

Computer-aided light sheet flow visualization

NASA Technical Reports Server (NTRS)

Stacy, Kathryn; Severance, Kurt; Childers, Brooks A.

1993-01-01

A computer-aided flow visualization process has been developed to analyze video images acquired from rotating and translating light sheet visualization systems. The computer process integrates a mathematical model for image reconstruction, advanced computer graphics concepts, and digital image processing to provide a quantitative and visual analysis capability. The image reconstruction model, based on photogrammetry, uses knowledge of the camera and light sheet locations and orientations to project two-dimensional light sheet video images into three-dimensional space. A sophisticated computer visualization package, commonly used to analyze computational fluid dynamics (CFD) data sets, was chosen to interactively display the reconstructed light sheet images, along with the numerical surface geometry for the model or aircraft under study. A description is provided of the photogrammetric reconstruction technique, and the image processing and computer graphics techniques and equipment. Results of the computer aided process applied to both a wind tunnel translating light sheet experiment and an in-flight rotating light sheet experiment are presented. The capability to compare reconstructed experimental light sheet images and CFD solutions in the same graphics environment is also demonstrated.

A Bayesian framework for adaptive selection, calibration, and validation of coarse-grained models of atomistic systems

NASA Astrophysics Data System (ADS)

Farrell, Kathryn; Oden, J. Tinsley; Faghihi, Danial

2015-08-01

A general adaptive modeling algorithm for selection and validation of coarse-grained models of atomistic systems is presented. A Bayesian framework is developed to address uncertainties in parameters, data, and model selection. Algorithms for computing output sensitivities to parameter variances, model evidence and posterior model plausibilities for given data, and for computing what are referred to as Occam Categories in reference to a rough measure of model simplicity, make up components of the overall approach. Computational results are provided for representative applications.

Integrating interactive computational modeling in biology curricula.

PubMed

Helikar, Tomáš; Cutucache, Christine E; Dahlquist, Lauren M; Herek, Tyler A; Larson, Joshua J; Rogers, Jim A

2015-03-01

While the use of computer tools to simulate complex processes such as computer circuits is normal practice in fields like engineering, the majority of life sciences/biological sciences courses continue to rely on the traditional textbook and memorization approach. To address this issue, we explored the use of the Cell Collective platform as a novel, interactive, and evolving pedagogical tool to foster student engagement, creativity, and higher-level thinking. Cell Collective is a Web-based platform used to create and simulate dynamical models of various biological processes. Students can create models of cells, diseases, or pathways themselves or explore existing models. This technology was implemented in both undergraduate and graduate courses as a pilot study to determine the feasibility of such software at the university level. First, a new (In Silico Biology) class was developed to enable students to learn biology by "building and breaking it" via computer models and their simulations. This class and technology also provide a non-intimidating way to incorporate mathematical and computational concepts into a class with students who have a limited mathematical background. Second, we used the technology to mediate the use of simulations and modeling modules as a learning tool for traditional biological concepts, such as T cell differentiation or cell cycle regulation, in existing biology courses. Results of this pilot application suggest that there is promise in the use of computational modeling and software tools such as Cell Collective to provide new teaching methods in biology and contribute to the implementation of the "Vision and Change" call to action in undergraduate biology education by providing a hands-on approach to biology.

Computational foundations of the visual number sense.

PubMed

Stoianov, Ivilin Peev; Zorzi, Marco

2017-01-01

We provide an emergentist perspective on the computational mechanism underlying numerosity perception, its development, and the role of inhibition, based on our deep neural network model. We argue that the influence of continuous visual properties does not challenge the notion of number sense, but reveals limit conditions for the computation that yields invariance in numerosity perception. Alternative accounts should be formalized in a computational model.

[Animal experimentation, computer simulation and surgical research].

PubMed

Carpentier, Alain

2009-11-01

We live in a digital world In medicine, computers are providing new tools for data collection, imaging, and treatment. During research and development of complex technologies and devices such as artificial hearts, computer simulation can provide more reliable information than experimentation on large animals. In these specific settings, animal experimentation should serve more to validate computer models of complex devices than to demonstrate their reliability.

Coupling of EIT with computational lung modeling for predicting patient-specific ventilatory responses.

PubMed

Roth, Christian J; Becher, Tobias; Frerichs, Inéz; Weiler, Norbert; Wall, Wolfgang A

2017-04-01

Providing optimal personalized mechanical ventilation for patients with acute or chronic respiratory failure is still a challenge within a clinical setting for each case anew. In this article, we integrate electrical impedance tomography (EIT) monitoring into a powerful patient-specific computational lung model to create an approach for personalizing protective ventilatory treatment. The underlying computational lung model is based on a single computed tomography scan and able to predict global airflow quantities, as well as local tissue aeration and strains for any ventilation maneuver. For validation, a novel "virtual EIT" module is added to our computational lung model, allowing to simulate EIT images based on the patient's thorax geometry and the results of our numerically predicted tissue aeration. Clinically measured EIT images are not used to calibrate the computational model. Thus they provide an independent method to validate the computational predictions at high temporal resolution. The performance of this coupling approach has been tested in an example patient with acute respiratory distress syndrome. The method shows good agreement between computationally predicted and clinically measured airflow data and EIT images. These results imply that the proposed framework can be used for numerical prediction of patient-specific responses to certain therapeutic measures before applying them to an actual patient. In the long run, definition of patient-specific optimal ventilation protocols might be assisted by computational modeling. NEW & NOTEWORTHY In this work, we present a patient-specific computational lung model that is able to predict global and local ventilatory quantities for a given patient and any selected ventilation protocol. For the first time, such a predictive lung model is equipped with a virtual electrical impedance tomography module allowing real-time validation of the computed results with the patient measurements. First promising results obtained in an acute respiratory distress syndrome patient show the potential of this approach for personalized computationally guided optimization of mechanical ventilation in future. Copyright © 2017 the American Physiological Society.

A Digital Computer Simulation of Cardiovascular and Renal Physiology.

ERIC Educational Resources Information Center

Tidball, Charles S.

1979-01-01

Presents the physiological MACPEE, one of a family of digital computer simulations used in Canada and Great Britain. A general description of the model is provided, along with a sample of computer output format, options for making interventions, advanced capabilities, an evaluation, and technical information for running a MAC model. (MA)

On the usage of ultrasound computational models for decision making under ambiguity

NASA Astrophysics Data System (ADS)

Dib, Gerges; Sexton, Samuel; Prowant, Matthew; Crawford, Susan; Diaz, Aaron

2018-04-01

Computer modeling and simulation is becoming pervasive within the non-destructive evaluation (NDE) industry as a convenient tool for designing and assessing inspection techniques. This raises a pressing need for developing quantitative techniques for demonstrating the validity and applicability of the computational models. Computational models provide deterministic results based on deterministic and well-defined input, or stochastic results based on inputs defined by probability distributions. However, computational models cannot account for the effects of personnel, procedures, and equipment, resulting in ambiguity about the efficacy of inspections based on guidance from computational models only. In addition, ambiguity arises when model inputs, such as the representation of realistic cracks, cannot be defined deterministically, probabilistically, or by intervals. In this work, Pacific Northwest National Laboratory demonstrates the ability of computational models to represent field measurements under known variabilities, and quantify the differences using maximum amplitude and power spectrum density metrics. Sensitivity studies are also conducted to quantify the effects of different input parameters on the simulation results.

Integrating Mathematical Modeling for Undergraduate Pre-Service Science Education Learning and Instruction in Middle School Classrooms

ERIC Educational Resources Information Center

Carrejo, David; Robertson, William H.

2011-01-01

Computer-based mathematical modeling in physics is a process of constructing models of concepts and the relationships between them in the scientific characteristics of work. In this manner, computer-based modeling integrates the interactions of natural phenomenon through the use of models, which provide structure for theories and a base for…

Multiscale Mechanics of Articular Cartilage: Potentials and Challenges of Coupling Musculoskeletal, Joint, and Microscale Computational Models

PubMed Central

Halloran, J. P.; Sibole, S.; van Donkelaar, C. C.; van Turnhout, M. C.; Oomens, C. W. J.; Weiss, J. A.; Guilak, F.; Erdemir, A.

2012-01-01

Articular cartilage experiences significant mechanical loads during daily activities. Healthy cartilage provides the capacity for load bearing and regulates the mechanobiological processes for tissue development, maintenance, and repair. Experimental studies at multiple scales have provided a fundamental understanding of macroscopic mechanical function, evaluation of the micromechanical environment of chondrocytes, and the foundations for mechanobiological response. In addition, computational models of cartilage have offered a concise description of experimental data at many spatial levels under healthy and diseased conditions, and have served to generate hypotheses for the mechanical and biological function. Further, modeling and simulation provides a platform for predictive risk assessment, management of dysfunction, as well as a means to relate multiple spatial scales. Simulation-based investigation of cartilage comes with many challenges including both the computational burden and often insufficient availability of data for model development and validation. This review outlines recent modeling and simulation approaches to understand cartilage function from a mechanical systems perspective, and illustrates pathways to associate mechanics with biological function. Computational representations at single scales are provided from the body down to the microstructure, along with attempts to explore multiscale mechanisms of load sharing that dictate the mechanical environment of the cartilage and chondrocytes. PMID:22648577

Neural and Computational Mechanisms of Action Processing: Interaction between Visual and Motor Representations.

PubMed

Giese, Martin A; Rizzolatti, Giacomo

2015-10-07

Action recognition has received enormous interest in the field of neuroscience over the last two decades. In spite of this interest, the knowledge in terms of fundamental neural mechanisms that provide constraints for underlying computations remains rather limited. This fact stands in contrast with a wide variety of speculative theories about how action recognition might work. This review focuses on new fundamental electrophysiological results in monkeys, which provide constraints for the detailed underlying computations. In addition, we review models for action recognition and processing that have concrete mathematical implementations, as opposed to conceptual models. We think that only such implemented models can be meaningfully linked quantitatively to physiological data and have a potential to narrow down the many possible computational explanations for action recognition. In addition, only concrete implementations allow judging whether postulated computational concepts have a feasible implementation in terms of realistic neural circuits. Copyright © 2015 Elsevier Inc. All rights reserved.

Application of Game Theory to Improve the Defense of the Smart Grid

DTIC Science & Technology

2012-03-01

Computer Systems and Networks ...............................................22 2.4.2 Trust Models ...systems. In this environment, developers assumed deterministic communications mediums rather than the “best effort” models provided in most modern... models or computational models to validate the SPSs design. Finally, the study reveals concerns about the performance of load rejection schemes

Interface for the documentation and compilation of a library of computer models in physiology.

PubMed Central

Summers, R. L.; Montani, J. P.

1994-01-01

A software interface for the documentation and compilation of a library of computer models in physiology was developed. The interface is an interactive program built within a word processing template in order to provide ease and flexibility of documentation. A model editor within the interface directs the model builder as to standardized requirements for incorporating models into the library and provides the user with an index to the levels of documentation. The interface and accompanying library are intended to facilitate model development, preservation and distribution and will be available for public use. PMID:7950046

A School Finance Computer Simulation Model

ERIC Educational Resources Information Center

Boardman, Gerald R.

1974-01-01

Presents a description of the computer simulation model developed by the National Educational Finance Project for use by States in planning and evaluating alternative approaches for State support programs. Provides a general introduction to the model, a program operation overview, a sample run, and some conclusions. (Author/WM)

A combinatorial model of malware diffusion via bluetooth connections.

PubMed

Merler, Stefano; Jurman, Giuseppe

2013-01-01

We outline here the mathematical expression of a diffusion model for cellphones malware transmitted through Bluetooth channels. In particular, we provide the deterministic formula underlying the proposed infection model, in its equivalent recursive (simple but computationally heavy) and closed form (more complex but efficiently computable) expression.

A systematic investigation of computation models for predicting Adverse Drug Reactions (ADRs).

PubMed

Kuang, Qifan; Wang, MinQi; Li, Rong; Dong, YongCheng; Li, Yizhou; Li, Menglong

2014-01-01

Early and accurate identification of adverse drug reactions (ADRs) is critically important for drug development and clinical safety. Computer-aided prediction of ADRs has attracted increasing attention in recent years, and many computational models have been proposed. However, because of the lack of systematic analysis and comparison of the different computational models, there remain limitations in designing more effective algorithms and selecting more useful features. There is therefore an urgent need to review and analyze previous computation models to obtain general conclusions that can provide useful guidance to construct more effective computational models to predict ADRs. In the current study, the main work is to compare and analyze the performance of existing computational methods to predict ADRs, by implementing and evaluating additional algorithms that have been earlier used for predicting drug targets. Our results indicated that topological and intrinsic features were complementary to an extent and the Jaccard coefficient had an important and general effect on the prediction of drug-ADR associations. By comparing the structure of each algorithm, final formulas of these algorithms were all converted to linear model in form, based on this finding we propose a new algorithm called the general weighted profile method and it yielded the best overall performance among the algorithms investigated in this paper. Several meaningful conclusions and useful findings regarding the prediction of ADRs are provided for selecting optimal features and algorithms.

Use of a Computer-Mediated Delphi Process to Validate a Mass Casualty Conceptual Model

PubMed Central

CULLEY, JOAN M.

2012-01-01

Since the original work on the Delphi technique, multiple versions have been developed and used in research and industry; however, very little empirical research has been conducted that evaluates the efficacy of using online computer, Internet, and e-mail applications to facilitate a Delphi method that can be used to validate theoretical models. The purpose of this research was to develop computer, Internet, and e-mail applications to facilitate a modified Delphi technique through which experts provide validation for a proposed conceptual model that describes the information needs for a mass-casualty continuum of care. Extant literature and existing theoretical models provided the basis for model development. Two rounds of the Delphi process were needed to satisfy the criteria for consensus and/or stability related to the constructs, relationships, and indicators in the model. The majority of experts rated the online processes favorably (mean of 6.1 on a seven-point scale). Using online Internet and computer applications to facilitate a modified Delphi process offers much promise for future research involving model building or validation. The online Delphi process provided an effective methodology for identifying and describing the complex series of events and contextual factors that influence the way we respond to disasters. PMID:21076283

Use of a computer-mediated Delphi process to validate a mass casualty conceptual model.

PubMed

Culley, Joan M

2011-05-01

Since the original work on the Delphi technique, multiple versions have been developed and used in research and industry; however, very little empirical research has been conducted that evaluates the efficacy of using online computer, Internet, and e-mail applications to facilitate a Delphi method that can be used to validate theoretical models. The purpose of this research was to develop computer, Internet, and e-mail applications to facilitate a modified Delphi technique through which experts provide validation for a proposed conceptual model that describes the information needs for a mass-casualty continuum of care. Extant literature and existing theoretical models provided the basis for model development. Two rounds of the Delphi process were needed to satisfy the criteria for consensus and/or stability related to the constructs, relationships, and indicators in the model. The majority of experts rated the online processes favorably (mean of 6.1 on a seven-point scale). Using online Internet and computer applications to facilitate a modified Delphi process offers much promise for future research involving model building or validation. The online Delphi process provided an effective methodology for identifying and describing the complex series of events and contextual factors that influence the way we respond to disasters.

Computational Toxicology: Application in Environmental Chemicals

EPA Science Inventory

This chapter provides an overview of computational models that describe various aspects of the source-to-health effect continuum. Fate and transport models describe the release, transportation, and transformation of chemicals from sources of emission throughout the general envir...

GPU-Accelerated Molecular Modeling Coming Of Age

PubMed Central

Stone, John E.; Hardy, David J.; Ufimtsev, Ivan S.

2010-01-01

Graphics processing units (GPUs) have traditionally been used in molecular modeling solely for visualization of molecular structures and animation of trajectories resulting from molecular dynamics simulations. Modern GPUs have evolved into fully programmable, massively parallel co-processors that can now be exploited to accelerate many scientific computations, typically providing about one order of magnitude speedup over CPU code and in special cases providing speedups of two orders of magnitude. This paper surveys the development of molecular modeling algorithms that leverage GPU computing, the advances already made and remaining issues to be resolved, and the continuing evolution of GPU technology that promises to become even more useful to molecular modeling. Hardware acceleration with commodity GPUs is expected to benefit the overall computational biology community by bringing teraflops performance to desktop workstations and in some cases potentially changing what were formerly batch-mode computational jobs into interactive tasks. PMID:20675161

GPU-accelerated molecular modeling coming of age.

PubMed

Stone, John E; Hardy, David J; Ufimtsev, Ivan S; Schulten, Klaus

2010-09-01

Graphics processing units (GPUs) have traditionally been used in molecular modeling solely for visualization of molecular structures and animation of trajectories resulting from molecular dynamics simulations. Modern GPUs have evolved into fully programmable, massively parallel co-processors that can now be exploited to accelerate many scientific computations, typically providing about one order of magnitude speedup over CPU code and in special cases providing speedups of two orders of magnitude. This paper surveys the development of molecular modeling algorithms that leverage GPU computing, the advances already made and remaining issues to be resolved, and the continuing evolution of GPU technology that promises to become even more useful to molecular modeling. Hardware acceleration with commodity GPUs is expected to benefit the overall computational biology community by bringing teraflops performance to desktop workstations and in some cases potentially changing what were formerly batch-mode computational jobs into interactive tasks. (c) 2010 Elsevier Inc. All rights reserved.

Computational Biochemistry-Enzyme Mechanisms Explored.

PubMed

Culka, Martin; Gisdon, Florian J; Ullmann, G Matthias

2017-01-01

Understanding enzyme mechanisms is a major task to achieve in order to comprehend how living cells work. Recent advances in biomolecular research provide huge amount of data on enzyme kinetics and structure. The analysis of diverse experimental results and their combination into an overall picture is, however, often challenging. Microscopic details of the enzymatic processes are often anticipated based on several hints from macroscopic experimental data. Computational biochemistry aims at creation of a computational model of an enzyme in order to explain microscopic details of the catalytic process and reproduce or predict macroscopic experimental findings. Results of such computations are in part complementary to experimental data and provide an explanation of a biochemical process at the microscopic level. In order to evaluate the mechanism of an enzyme, a structural model is constructed which can be analyzed by several theoretical approaches. Several simulation methods can and should be combined to get a reliable picture of the process of interest. Furthermore, abstract models of biological systems can be constructed combining computational and experimental data. In this review, we discuss structural computational models of enzymatic systems. We first discuss various models to simulate enzyme catalysis. Furthermore, we review various approaches how to characterize the enzyme mechanism both qualitatively and quantitatively using different modeling approaches. © 2017 Elsevier Inc. All rights reserved.

Computer simulation of on-orbit manned maneuvering unit operations

NASA Technical Reports Server (NTRS)

Stuart, G. M.; Garcia, K. D.

1986-01-01

Simulation of spacecraft on-orbit operations is discussed in reference to Martin Marietta's Space Operations Simulation laboratory's use of computer software models to drive a six-degree-of-freedom moving base carriage and two target gimbal systems. In particular, key simulation issues and related computer software models associated with providing real-time, man-in-the-loop simulations of the Manned Maneuvering Unit (MMU) are addressed with special attention given to how effectively these models and motion systems simulate the MMU's actual on-orbit operations. The weightless effects of the space environment require the development of entirely new devices for locomotion. Since the access to space is very limited, it is necessary to design, build, and test these new devices within the physical constraints of earth using simulators. The simulation method that is discussed here is the technique of using computer software models to drive a Moving Base Carriage (MBC) that is capable of providing simultaneous six-degree-of-freedom motions. This method, utilized at Martin Marietta's Space Operations Simulation (SOS) laboratory, provides the ability to simulate the operation of manned spacecraft, provides the pilot with proper three-dimensional visual cues, and allows training of on-orbit operations. The purpose here is to discuss significant MMU simulation issues, the related models that were developed in response to these issues and how effectively these models simulate the MMU's actual on-orbiter operations.

Getting more from accuracy and response time data: methods for fitting the linear ballistic accumulator.

PubMed

Donkin, Chris; Averell, Lee; Brown, Scott; Heathcote, Andrew

2009-11-01

Cognitive models of the decision process provide greater insight into response time and accuracy than do standard ANOVA techniques. However, such models can be mathematically and computationally difficult to apply. We provide instructions and computer code for three methods for estimating the parameters of the linear ballistic accumulator (LBA), a new and computationally tractable model of decisions between two or more choices. These methods-a Microsoft Excel worksheet, scripts for the statistical program R, and code for implementation of the LBA into the Bayesian sampling software WinBUGS-vary in their flexibility and user accessibility. We also provide scripts in R that produce a graphical summary of the data and model predictions. In a simulation study, we explored the effect of sample size on parameter recovery for each method. The materials discussed in this article may be downloaded as a supplement from http://brm.psychonomic-journals.org/content/supplemental.

More Effective Distributed ML via a Stale Synchronous Parallel Parameter Server

PubMed Central

Ho, Qirong; Cipar, James; Cui, Henggang; Kim, Jin Kyu; Lee, Seunghak; Gibbons, Phillip B.; Gibson, Garth A.; Ganger, Gregory R.; Xing, Eric P.

2014-01-01

We propose a parameter server system for distributed ML, which follows a Stale Synchronous Parallel (SSP) model of computation that maximizes the time computational workers spend doing useful work on ML algorithms, while still providing correctness guarantees. The parameter server provides an easy-to-use shared interface for read/write access to an ML model’s values (parameters and variables), and the SSP model allows distributed workers to read older, stale versions of these values from a local cache, instead of waiting to get them from a central storage. This significantly increases the proportion of time workers spend computing, as opposed to waiting. Furthermore, the SSP model ensures ML algorithm correctness by limiting the maximum age of the stale values. We provide a proof of correctness under SSP, as well as empirical results demonstrating that the SSP model achieves faster algorithm convergence on several different ML problems, compared to fully-synchronous and asynchronous schemes. PMID:25400488

Predictive computation of genomic logic processing functions in embryonic development

PubMed Central

Peter, Isabelle S.; Faure, Emmanuel; Davidson, Eric H.

2012-01-01

Gene regulatory networks (GRNs) control the dynamic spatial patterns of regulatory gene expression in development. Thus, in principle, GRN models may provide system-level, causal explanations of developmental process. To test this assertion, we have transformed a relatively well-established GRN model into a predictive, dynamic Boolean computational model. This Boolean model computes spatial and temporal gene expression according to the regulatory logic and gene interactions specified in a GRN model for embryonic development in the sea urchin. Additional information input into the model included the progressive embryonic geometry and gene expression kinetics. The resulting model predicted gene expression patterns for a large number of individual regulatory genes each hour up to gastrulation (30 h) in four different spatial domains of the embryo. Direct comparison with experimental observations showed that the model predictively computed these patterns with remarkable spatial and temporal accuracy. In addition, we used this model to carry out in silico perturbations of regulatory functions and of embryonic spatial organization. The model computationally reproduced the altered developmental functions observed experimentally. Two major conclusions are that the starting GRN model contains sufficiently complete regulatory information to permit explanation of a complex developmental process of gene expression solely in terms of genomic regulatory code, and that the Boolean model provides a tool with which to test in silico regulatory circuitry and developmental perturbations. PMID:22927416

How Adverse Outcome Pathways Can Aid the Development and Use of Computational Prediction Models for Regulatory Toxicology

PubMed Central

Aladjov, Hristo; Ankley, Gerald; Byrne, Hugh J.; de Knecht, Joop; Heinzle, Elmar; Klambauer, Günter; Landesmann, Brigitte; Luijten, Mirjam; MacKay, Cameron; Maxwell, Gavin; Meek, M. E. (Bette); Paini, Alicia; Perkins, Edward; Sobanski, Tomasz; Villeneuve, Dan; Waters, Katrina M.; Whelan, Maurice

2017-01-01

Efforts are underway to transform regulatory toxicology and chemical safety assessment from a largely empirical science based on direct observation of apical toxicity outcomes in whole organism toxicity tests to a predictive one in which outcomes and risk are inferred from accumulated mechanistic understanding. The adverse outcome pathway (AOP) framework provides a systematic approach for organizing knowledge that may support such inference. Likewise, computational models of biological systems at various scales provide another means and platform to integrate current biological understanding to facilitate inference and extrapolation. We argue that the systematic organization of knowledge into AOP frameworks can inform and help direct the design and development of computational prediction models that can further enhance the utility of mechanistic and in silico data for chemical safety assessment. This concept was explored as part of a workshop on AOP-Informed Predictive Modeling Approaches for Regulatory Toxicology held September 24–25, 2015. Examples of AOP-informed model development and its application to the assessment of chemicals for skin sensitization and multiple modes of endocrine disruption are provided. The role of problem formulation, not only as a critical phase of risk assessment, but also as guide for both AOP and complementary model development is described. Finally, a proposal for actively engaging the modeling community in AOP-informed computational model development is made. The contents serve as a vision for how AOPs can be leveraged to facilitate development of computational prediction models needed to support the next generation of chemical safety assessment. PMID:27994170

Hybrid, experimental and computational, investigation of mechanical components

NASA Astrophysics Data System (ADS)

Furlong, Cosme; Pryputniewicz, Ryszard J.

1996-07-01

Computational and experimental methodologies have unique features for the analysis and solution of a wide variety of engineering problems. Computations provide results that depend on selection of input parameters such as geometry, material constants, and boundary conditions which, for correct modeling purposes, have to be appropriately chosen. In addition, it is relatively easy to modify the input parameters in order to computationally investigate different conditions. Experiments provide solutions which characterize the actual behavior of the object of interest subjected to specific operating conditions. However, it is impractical to experimentally perform parametric investigations. This paper discusses the use of a hybrid, computational and experimental, approach for study and optimization of mechanical components. Computational techniques are used for modeling the behavior of the object of interest while it is experimentally tested using noninvasive optical techniques. Comparisons are performed through a fringe predictor program used to facilitate the correlation between both techniques. In addition, experimentally obtained quantitative information, such as displacements and shape, can be applied in the computational model in order to improve this correlation. The result is a validated computational model that can be used for performing quantitative analyses and structural optimization. Practical application of the hybrid approach is illustrated with a representative example which demonstrates the viability of the approach as an engineering tool for structural analysis and optimization.

Ionospheric Slant Total Electron Content Analysis Using Global Positioning System Based Estimation

NASA Technical Reports Server (NTRS)

Komjathy, Attila (Inventor); Mannucci, Anthony J. (Inventor); Sparks, Lawrence C. (Inventor)

2017-01-01

A method, system, apparatus, and computer program product provide the ability to analyze ionospheric slant total electron content (TEC) using global navigation satellite systems (GNSS)-based estimation. Slant TEC is estimated for a given set of raypath geometries by fitting historical GNSS data to a specified delay model. The accuracy of the specified delay model is estimated by computing delay estimate residuals and plotting a behavior of the delay estimate residuals. An ionospheric threat model is computed based on the specified delay model. Ionospheric grid delays (IGDs) and grid ionospheric vertical errors (GIVEs) are computed based on the ionospheric threat model.

Software For Computing Reliability Of Other Software

NASA Technical Reports Server (NTRS)

Nikora, Allen; Antczak, Thomas M.; Lyu, Michael

1995-01-01

Computer Aided Software Reliability Estimation (CASRE) computer program developed for use in measuring reliability of other software. Easier for non-specialists in reliability to use than many other currently available programs developed for same purpose. CASRE incorporates mathematical modeling capabilities of public-domain Statistical Modeling and Estimation of Reliability Functions for Software (SMERFS) computer program and runs in Windows software environment. Provides menu-driven command interface; enabling and disabling of menu options guides user through (1) selection of set of failure data, (2) execution of mathematical model, and (3) analysis of results from model. Written in C language.

Computational Psychometrics for Modeling System Dynamics during Stressful Disasters.

PubMed

Cipresso, Pietro; Bessi, Alessandro; Colombo, Desirée; Pedroli, Elisa; Riva, Giuseppe

2017-01-01

Disasters can be very stressful events. However, computational models of stress require data that might be very difficult to collect during disasters. Moreover, personal experiences are not repeatable, so it is not possible to collect bottom-up information when building a coherent model. To overcome these problems, we propose the use of computational models and virtual reality integration to recreate disaster situations, while examining possible dynamics in order to understand human behavior and relative consequences. By providing realistic parameters associated with disaster situations, computational scientists can work more closely with emergency responders to improve the quality of interventions in the future.

Computing relative plate velocities: a primer

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

Bevis, M.

1987-08-01

Standard models of present-day plate motions are framed in terms of rates and poles of rotation, in accordance with the well-known theorem due to Euler. This article shows how computation of relative plate velocities from such models can be viewed as a simple problem in spherical trigonometry. A FORTRAN subroutine is provided to perform the necessary computations.

First Steps in Computational Systems Biology: A Practical Session in Metabolic Modeling and Simulation

ERIC Educational Resources Information Center

Reyes-Palomares, Armando; Sanchez-Jimenez, Francisca; Medina, Miguel Angel

2009-01-01

A comprehensive understanding of biological functions requires new systemic perspectives, such as those provided by systems biology. Systems biology approaches are hypothesis-driven and involve iterative rounds of model building, prediction, experimentation, model refinement, and development. Developments in computer science are allowing for ever…

A Combinatorial Model of Malware Diffusion via Bluetooth Connections

PubMed Central

Merler, Stefano; Jurman, Giuseppe

2013-01-01

We outline here the mathematical expression of a diffusion model for cellphones malware transmitted through Bluetooth channels. In particular, we provide the deterministic formula underlying the proposed infection model, in its equivalent recursive (simple but computationally heavy) and closed form (more complex but efficiently computable) expression. PMID:23555677

Manifold parametrization of the left ventricle for a statistical modelling of its complete anatomy

NASA Astrophysics Data System (ADS)

Gil, D.; Garcia-Barnes, J.; Hernández-Sabate, A.; Marti, E.

2010-03-01

Distortion of Left Ventricle (LV) external anatomy is related to some dysfunctions, such as hypertrophy. The architecture of myocardial fibers determines LV electromechanical activation patterns as well as mechanics. Thus, their joined modelling would allow the design of specific interventions (such as peacemaker implantation and LV remodelling) and therapies (such as resynchronization). On one hand, accurate modelling of external anatomy requires either a dense sampling or a continuous infinite dimensional approach, which requires non-Euclidean statistics. On the other hand, computation of fiber models requires statistics on Riemannian spaces. Most approaches compute separate statistical models for external anatomy and fibers architecture. In this work we propose a general mathematical framework based on differential geometry concepts for computing a statistical model including, both, external and fiber anatomy. Our framework provides a continuous approach to external anatomy supporting standard statistics. We also provide a straightforward formula for the computation of the Riemannian fiber statistics. We have applied our methodology to the computation of complete anatomical atlas of canine hearts from diffusion tensor studies. The orientation of fibers over the average external geometry agrees with the segmental description of orientations reported in the literature.

The DIVA model: A neural theory of speech acquisition and production

PubMed Central

Tourville, Jason A.; Guenther, Frank H.

2013-01-01

The DIVA model of speech production provides a computationally and neuroanatomically explicit account of the network of brain regions involved in speech acquisition and production. An overview of the model is provided along with descriptions of the computations performed in the different brain regions represented in the model. The latest version of the model, which contains a new right-lateralized feedback control map in ventral premotor cortex, will be described, and experimental results that motivated this new model component will be discussed. Application of the model to the study and treatment of communication disorders will also be briefly described. PMID:23667281

Personalized cloud-based bioinformatics services for research and education: use cases and the elasticHPC package

PubMed Central

2012-01-01

Background Bioinformatics services have been traditionally provided in the form of a web-server that is hosted at institutional infrastructure and serves multiple users. This model, however, is not flexible enough to cope with the increasing number of users, increasing data size, and new requirements in terms of speed and availability of service. The advent of cloud computing suggests a new service model that provides an efficient solution to these problems, based on the concepts of "resources-on-demand" and "pay-as-you-go". However, cloud computing has not yet been introduced within bioinformatics servers due to the lack of usage scenarios and software layers that address the requirements of the bioinformatics domain. Results In this paper, we provide different use case scenarios for providing cloud computing based services, considering both the technical and financial aspects of the cloud computing service model. These scenarios are for individual users seeking computational power as well as bioinformatics service providers aiming at provision of personalized bioinformatics services to their users. We also present elasticHPC, a software package and a library that facilitates the use of high performance cloud computing resources in general and the implementation of the suggested bioinformatics scenarios in particular. Concrete examples that demonstrate the suggested use case scenarios with whole bioinformatics servers and major sequence analysis tools like BLAST are presented. Experimental results with large datasets are also included to show the advantages of the cloud model. Conclusions Our use case scenarios and the elasticHPC package are steps towards the provision of cloud based bioinformatics services, which would help in overcoming the data challenge of recent biological research. All resources related to elasticHPC and its web-interface are available at http://www.elasticHPC.org. PMID:23281941

Personalized cloud-based bioinformatics services for research and education: use cases and the elasticHPC package.

PubMed

El-Kalioby, Mohamed; Abouelhoda, Mohamed; Krüger, Jan; Giegerich, Robert; Sczyrba, Alexander; Wall, Dennis P; Tonellato, Peter

2012-01-01

Bioinformatics services have been traditionally provided in the form of a web-server that is hosted at institutional infrastructure and serves multiple users. This model, however, is not flexible enough to cope with the increasing number of users, increasing data size, and new requirements in terms of speed and availability of service. The advent of cloud computing suggests a new service model that provides an efficient solution to these problems, based on the concepts of "resources-on-demand" and "pay-as-you-go". However, cloud computing has not yet been introduced within bioinformatics servers due to the lack of usage scenarios and software layers that address the requirements of the bioinformatics domain. In this paper, we provide different use case scenarios for providing cloud computing based services, considering both the technical and financial aspects of the cloud computing service model. These scenarios are for individual users seeking computational power as well as bioinformatics service providers aiming at provision of personalized bioinformatics services to their users. We also present elasticHPC, a software package and a library that facilitates the use of high performance cloud computing resources in general and the implementation of the suggested bioinformatics scenarios in particular. Concrete examples that demonstrate the suggested use case scenarios with whole bioinformatics servers and major sequence analysis tools like BLAST are presented. Experimental results with large datasets are also included to show the advantages of the cloud model. Our use case scenarios and the elasticHPC package are steps towards the provision of cloud based bioinformatics services, which would help in overcoming the data challenge of recent biological research. All resources related to elasticHPC and its web-interface are available at http://www.elasticHPC.org.

Cielo Computational Environment Usage Model With Mappings to ACE Requirements for the General Availability User Environment Capabilities Release Version 1.1

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

Vigil,Benny Manuel; Ballance, Robert; Haskell, Karen

Cielo is a massively parallel supercomputer funded by the DOE/NNSA Advanced Simulation and Computing (ASC) program, and operated by the Alliance for Computing at Extreme Scale (ACES), a partnership between Los Alamos National Laboratory (LANL) and Sandia National Laboratories (SNL). The primary Cielo compute platform is physically located at Los Alamos National Laboratory. This Cielo Computational Environment Usage Model documents the capabilities and the environment to be provided for the Q1 FY12 Level 2 Cielo Capability Computing (CCC) Platform Production Readiness Milestone. This document describes specific capabilities, tools, and procedures to support both local and remote users. The model ismore » focused on the needs of the ASC user working in the secure computing environments at Lawrence Livermore National Laboratory (LLNL), Los Alamos National Laboratory, or Sandia National Laboratories, but also addresses the needs of users working in the unclassified environment. The Cielo Computational Environment Usage Model maps the provided capabilities to the tri-Lab ASC Computing Environment (ACE) Version 8.0 requirements. The ACE requirements reflect the high performance computing requirements for the Production Readiness Milestone user environment capabilities of the ASC community. A description of ACE requirements met, and those requirements that are not met, are included in each section of this document. The Cielo Computing Environment, along with the ACE mappings, has been issued and reviewed throughout the tri-Lab community.« less

Informing Mechanistic Toxicology with Computational Molecular Models

EPA Science Inventory

Computational molecular models of chemicals interacting with biomolecular targets provides toxicologists a valuable, affordable, and sustainable source of in silico molecular level information that augments, enriches, and complements in vitro and in vivo effo...

Biocellion: accelerating computer simulation of multicellular biological system models

PubMed Central

Kang, Seunghwa; Kahan, Simon; McDermott, Jason; Flann, Nicholas; Shmulevich, Ilya

2014-01-01

Motivation: Biological system behaviors are often the outcome of complex interactions among a large number of cells and their biotic and abiotic environment. Computational biologists attempt to understand, predict and manipulate biological system behavior through mathematical modeling and computer simulation. Discrete agent-based modeling (in combination with high-resolution grids to model the extracellular environment) is a popular approach for building biological system models. However, the computational complexity of this approach forces computational biologists to resort to coarser resolution approaches to simulate large biological systems. High-performance parallel computers have the potential to address the computing challenge, but writing efficient software for parallel computers is difficult and time-consuming. Results: We have developed Biocellion, a high-performance software framework, to solve this computing challenge using parallel computers. To support a wide range of multicellular biological system models, Biocellion asks users to provide their model specifics by filling the function body of pre-defined model routines. Using Biocellion, modelers without parallel computing expertise can efficiently exploit parallel computers with less effort than writing sequential programs from scratch. We simulate cell sorting, microbial patterning and a bacterial system in soil aggregate as case studies. Availability and implementation: Biocellion runs on x86 compatible systems with the 64 bit Linux operating system and is freely available for academic use. Visit http://biocellion.com for additional information. Contact: seunghwa.kang@pnnl.gov PMID:25064572

Dynamic Computation of Change Operations in Version Management of Business Process Models

NASA Astrophysics Data System (ADS)

Küster, Jochen Malte; Gerth, Christian; Engels, Gregor

Version management of business process models requires that changes can be resolved by applying change operations. In order to give a user maximal freedom concerning the application order of change operations, position parameters of change operations must be computed dynamically during change resolution. In such an approach, change operations with computed position parameters must be applicable on the model and dependencies and conflicts of change operations must be taken into account because otherwise invalid models can be constructed. In this paper, we study the concept of partially specified change operations where parameters are computed dynamically. We provide a formalization for partially specified change operations using graph transformation and provide a concept for their applicability. Based on this, we study potential dependencies and conflicts of change operations and show how these can be taken into account within change resolution. Using our approach, a user can resolve changes of business process models without being unnecessarily restricted to a certain order.

Combined Numerical/Analytical Perturbation Solutions of the Navier-Stokes Equations for Aerodynamic Ejector/Mixer Nozzle Flows

NASA Technical Reports Server (NTRS)

DeChant, Lawrence Justin

1998-01-01

In spite of rapid advances in both scalar and parallel computational tools, the large number of variables involved in both design and inverse problems make the use of sophisticated fluid flow models impractical, With this restriction, it is concluded that an important family of methods for mathematical/computational development are reduced or approximate fluid flow models. In this study a combined perturbation/numerical modeling methodology is developed which provides a rigorously derived family of solutions. The mathematical model is computationally more efficient than classical boundary layer but provides important two-dimensional information not available using quasi-1-d approaches. An additional strength of the current methodology is its ability to locally predict static pressure fields in a manner analogous to more sophisticated parabolized Navier Stokes (PNS) formulations. To resolve singular behavior, the model utilizes classical analytical solution techniques. Hence, analytical methods have been combined with efficient numerical methods to yield an efficient hybrid fluid flow model. In particular, the main objective of this research has been to develop a system of analytical and numerical ejector/mixer nozzle models, which require minimal empirical input. A computer code, DREA Differential Reduced Ejector/mixer Analysis has been developed with the ability to run sufficiently fast so that it may be used either as a subroutine or called by an design optimization routine. Models are of direct use to the High Speed Civil Transport Program (a joint government/industry project seeking to develop an economically.viable U.S. commercial supersonic transport vehicle) and are currently being adopted by both NASA and industry. Experimental validation of these models is provided by comparison to results obtained from open literature and Limited Exclusive Right Distribution (LERD) sources, as well as dedicated experiments performed at Texas A&M. These experiments have been performed using a hydraulic/gas flow analog. Results of comparisons of DREA computations with experimental data, which include entrainment, thrust, and local profile information, are overall good. Computational time studies indicate that DREA provides considerably more information at a lower computational cost than contemporary ejector nozzle design models. Finally. physical limitations of the method, deviations from experimental data, potential improvements and alternative formulations are described. This report represents closure to the NASA Graduate Researchers Program. Versions of the DREA code and a user's guide may be obtained from the NASA Lewis Research Center.

An efficient formulation of robot arm dynamics for control and computer simulation

NASA Astrophysics Data System (ADS)

Lee, C. S. G.; Nigam, R.

This paper describes an efficient formulation of the dynamic equations of motion of industrial robots based on the Lagrange formulation of d'Alembert's principle. This formulation, as applied to a PUMA robot arm, results in a set of closed form second order differential equations with cross product terms. They are not as efficient in computation as those formulated by the Newton-Euler method, but provide a better analytical model for control analysis and computer simulation. Computational complexities of this dynamic model together with other models are tabulated for discussion.

Model-Invariant Hybrid Computations of Separated Flows for RCA Standard Test Cases

NASA Technical Reports Server (NTRS)

Woodruff, Stephen

2016-01-01

NASA's Revolutionary Computational Aerosciences (RCA) subproject has identified several smooth-body separated flows as standard test cases to emphasize the challenge these flows present for computational methods and their importance to the aerospace community. Results of computations of two of these test cases, the NASA hump and the FAITH experiment, are presented. The computations were performed with the model-invariant hybrid LES-RANS formulation, implemented in the NASA code VULCAN-CFD. The model- invariant formulation employs gradual LES-RANS transitions and compensation for model variation to provide more accurate and efficient hybrid computations. Comparisons revealed that the LES-RANS transitions employed in these computations were sufficiently gradual that the compensating terms were unnecessary. Agreement with experiment was achieved only after reducing the turbulent viscosity to mitigate the effect of numerical dissipation. The stream-wise evolution of peak Reynolds shear stress was employed as a measure of turbulence dynamics in separated flows useful for evaluating computations.

MOLNs: A CLOUD PLATFORM FOR INTERACTIVE, REPRODUCIBLE, AND SCALABLE SPATIAL STOCHASTIC COMPUTATIONAL EXPERIMENTS IN SYSTEMS BIOLOGY USING PyURDME.

PubMed

Drawert, Brian; Trogdon, Michael; Toor, Salman; Petzold, Linda; Hellander, Andreas

2016-01-01

Computational experiments using spatial stochastic simulations have led to important new biological insights, but they require specialized tools and a complex software stack, as well as large and scalable compute and data analysis resources due to the large computational cost associated with Monte Carlo computational workflows. The complexity of setting up and managing a large-scale distributed computation environment to support productive and reproducible modeling can be prohibitive for practitioners in systems biology. This results in a barrier to the adoption of spatial stochastic simulation tools, effectively limiting the type of biological questions addressed by quantitative modeling. In this paper, we present PyURDME, a new, user-friendly spatial modeling and simulation package, and MOLNs, a cloud computing appliance for distributed simulation of stochastic reaction-diffusion models. MOLNs is based on IPython and provides an interactive programming platform for development of sharable and reproducible distributed parallel computational experiments.

Analysis of rocket engine injection combustion processes

NASA Technical Reports Server (NTRS)

Salmon, J. W.

1976-01-01

A critique is given of the JANNAF sub-critical propellant injection/combustion process analysis computer models and application of the models to correlation of well documented hot fire engine data bases. These programs are the distributed energy release (DER) model for conventional liquid propellants injectors and the coaxial injection combustion model (CICM) for gaseous annulus/liquid core coaxial injectors. The critique identifies model inconsistencies while the computer analyses provide quantitative data on predictive accuracy. The program is comprised of three tasks: (1) computer program review and operations; (2) analysis and data correlations; and (3) documentation.

Consolidated Bibliography--Unclassified Technical Reports, Special Reports, and Technical Notes: FY 1974 through FY 1981.

DTIC Science & Technology

1982-02-01

methodological and design inadequacies. The purposes of this study were to design and test a methodological model and to provide an objective assessment of ICR...provide an alternative to the purchase of special training equipments. Models of the Learner in Computer-assisted Instruction. TR 76-23. December 1975...3. D. Fletcher. lAD-A020 725) The adaptability of computer-assisted instruction to individuals should be en- hanced by the use of explicit models of

3-D modeling of ductile tearing using finite elements: Computational aspects and techniques

NASA Astrophysics Data System (ADS)

Gullerud, Arne Stewart

This research focuses on the development and application of computational tools to perform large-scale, 3-D modeling of ductile tearing in engineering components under quasi-static to mild loading rates. Two standard models for ductile tearing---the computational cell methodology and crack growth controlled by the crack tip opening angle (CTOA)---are described and their 3-D implementations are explored. For the computational cell methodology, quantification of the effects of several numerical issues---computational load step size, procedures for force release after cell deletion, and the porosity for cell deletion---enables construction of computational algorithms to remove the dependence of predicted crack growth on these issues. This work also describes two extensions of the CTOA approach into 3-D: a general 3-D method and a constant front technique. Analyses compare the characteristics of the extensions, and a validation study explores the ability of the constant front extension to predict crack growth in thin aluminum test specimens over a range of specimen geometries, absolutes sizes, and levels of out-of-plane constraint. To provide a computational framework suitable for the solution of these problems, this work also describes the parallel implementation of a nonlinear, implicit finite element code. The implementation employs an explicit message-passing approach using the MPI standard to maintain portability, a domain decomposition of element data to provide parallel execution, and a master-worker organization of the computational processes to enhance future extensibility. A linear preconditioned conjugate gradient (LPCG) solver serves as the core of the solution process. The parallel LPCG solver utilizes an element-by-element (EBE) structure of the computations to permit a dual-level decomposition of the element data: domain decomposition of the mesh provides efficient coarse-grain parallel execution, while decomposition of the domains into blocks of similar elements (same type, constitutive model, etc.) provides fine-grain parallel computation on each processor. A major focus of the LPCG solver is a new implementation of the Hughes-Winget element-by-element (HW) preconditioner. The implementation employs a weighted dependency graph combined with a new coloring algorithm to provide load-balanced scheduling for the preconditioner and overlapped communication/computation. This approach enables efficient parallel application of the HW preconditioner for arbitrary unstructured meshes.

Update of aircraft profile data for the Integrated Noise Model computer program, vol 1: final report

DOT National Transportation Integrated Search

1992-03-01

This report provides aircraft takeoff and landing profiles, aircraft aerodynamic performance coefficients and engine performance coefficients for the aircraft data base (Database 9) in the Integrated Noise Model (INM) computer program. Flight profile...

Systems Biology in Immunology – A Computational Modeling Perspective

PubMed Central

Germain, Ronald N.; Meier-Schellersheim, Martin; Nita-Lazar, Aleksandra; Fraser, Iain D. C.

2011-01-01

Systems biology is an emerging discipline that combines high-content, multiplexed measurements with informatic and computational modeling methods to better understand biological function at various scales. Here we present a detailed review of the methods used to create computational models and conduct simulations of immune function, We provide descriptions of the key data gathering techniques employed to generate the quantitative and qualitative data required for such modeling and simulation and summarize the progress to date in applying these tools and techniques to questions of immunological interest, including infectious disease. We include comments on what insights modeling can provide that complement information obtained from the more familiar experimental discovery methods used by most investigators and why quantitative methods are needed to eventually produce a better understanding of immune system operation in health and disease. PMID:21219182

Simulation of glioblastoma multiforme (GBM) tumor cells using ising model on the Creutz Cellular Automaton

NASA Astrophysics Data System (ADS)

Züleyha, Artuç; Ziya, Merdan; Selçuk, Yeşiltaş; Kemal, Öztürk M.; Mesut, Tez

2017-11-01

Computational models for tumors have difficulties due to complexity of tumor nature and capacities of computational tools, however, these models provide visions to understand interactions between tumor and its micro environment. Moreover computational models have potential to develop strategies for individualized treatments for cancer. To observe a solid brain tumor, glioblastoma multiforme (GBM), we present a two dimensional Ising Model applied on Creutz cellular automaton (CCA). The aim of this study is to analyze avascular spherical solid tumor growth, considering transitions between non tumor cells and cancer cells are like phase transitions in physical system. Ising model on CCA algorithm provides a deterministic approach with discrete time steps and local interactions in position space to view tumor growth as a function of time. Our simulation results are given for fixed tumor radius and they are compatible with theoretical and clinic data.

BCM: toolkit for Bayesian analysis of Computational Models using samplers.

PubMed

Thijssen, Bram; Dijkstra, Tjeerd M H; Heskes, Tom; Wessels, Lodewyk F A

2016-10-21

Computational models in biology are characterized by a large degree of uncertainty. This uncertainty can be analyzed with Bayesian statistics, however, the sampling algorithms that are frequently used for calculating Bayesian statistical estimates are computationally demanding, and each algorithm has unique advantages and disadvantages. It is typically unclear, before starting an analysis, which algorithm will perform well on a given computational model. We present BCM, a toolkit for the Bayesian analysis of Computational Models using samplers. It provides efficient, multithreaded implementations of eleven algorithms for sampling from posterior probability distributions and for calculating marginal likelihoods. BCM includes tools to simplify the process of model specification and scripts for visualizing the results. The flexible architecture allows it to be used on diverse types of biological computational models. In an example inference task using a model of the cell cycle based on ordinary differential equations, BCM is significantly more efficient than existing software packages, allowing more challenging inference problems to be solved. BCM represents an efficient one-stop-shop for computational modelers wishing to use sampler-based Bayesian statistics.

Improved Gaussian Beam-Scattering Algorithm

NASA Technical Reports Server (NTRS)

Lock, James A.

1995-01-01

The localized model of the beam-shape coefficients for Gaussian beam-scattering theory by a spherical particle provides a great simplification in the numerical implementation of the theory. We derive an alternative form for the localized coefficients that is more convenient for computer computations and that provides physical insight into the details of the scattering process. We construct a FORTRAN program for Gaussian beam scattering with the localized model and compare its computer run time on a personal computer with that of a traditional Mie scattering program and with three other published methods for computing Gaussian beam scattering. We show that the analytical form of the beam-shape coefficients makes evident the fact that the excitation rate of morphology-dependent resonances is greatly enhanced for far off-axis incidence of the Gaussian beam.

The Computational and Neural Basis of Cognitive Control: Charted Territory and New Frontiers

ERIC Educational Resources Information Center

Botvinick, Matthew M.; Cohen, Jonathan D.

2014-01-01

Cognitive control has long been one of the most active areas of computational modeling work in cognitive science. The focus on computational models as a medium for specifying and developing theory predates the PDP books, and cognitive control was not one of the areas on which they focused. However, the framework they provided has injected work on…

Leveraging Cloud Technology to Provide a Responsive, Reliable and Scalable Backend for the Virtual Ice Sheet Laboratory Using the Ice Sheet System Model and Amazon's Elastic Compute Cloud

NASA Astrophysics Data System (ADS)

Perez, G. L.; Larour, E. Y.; Halkides, D. J.; Cheng, D. L. C.

2015-12-01

The Virtual Ice Sheet Laboratory(VISL) is a Cryosphere outreach effort byscientists at the Jet Propulsion Laboratory(JPL) in Pasadena, CA, Earth and SpaceResearch(ESR) in Seattle, WA, and the University of California at Irvine (UCI), with the goal of providing interactive lessons for K-12 and college level students,while conforming to STEM guidelines. At the core of VISL is the Ice Sheet System Model(ISSM), an open-source project developed jointlyat JPL and UCI whose main purpose is to model the evolution of the polar ice caps in Greenland and Antarctica. By using ISSM, VISL students have access tostate-of-the-art modeling software that is being used to conduct scientificresearch by users all over the world. However, providing this functionality isby no means simple. The modeling of ice sheets in response to sea and atmospheric temperatures, among many other possible parameters, requiressignificant computational resources. Furthermore, this service needs to beresponsive and capable of handling burst requests produced by classrooms ofstudents. Cloud computing providers represent a burgeoning industry. With majorinvestments by tech giants like Amazon, Google and Microsoft, it has never beeneasier or more affordable to deploy computational elements on-demand. This isexactly what VISL needs and ISSM is capable of. Moreover, this is a promisingalternative to investing in expensive and rapidly devaluing hardware.

The virtual machine (VM) scaler: an infrastructure manager supporting environmental modeling on IaaS clouds

USDA-ARS?s Scientific Manuscript database

Infrastructure-as-a-service (IaaS) clouds provide a new medium for deployment of environmental modeling applications. Harnessing advancements in virtualization, IaaS clouds can provide dynamic scalable infrastructure to better support scientific modeling computational demands. Providing scientific m...

Rational design of liposomal drug delivery systems, a review: Combined experimental and computational studies of lipid membranes, liposomes and their PEGylation.

PubMed

Bunker, Alex; Magarkar, Aniket; Viitala, Tapani

2016-10-01

Combined experimental and computational studies of lipid membranes and liposomes, with the aim to attain mechanistic understanding, result in a synergy that makes possible the rational design of liposomal drug delivery system (LDS) based therapies. The LDS is the leading form of nanoscale drug delivery platform, an avenue in drug research, known as "nanomedicine", that holds the promise to transcend the current paradigm of drug development that has led to diminishing returns. Unfortunately this field of research has, so far, been far more successful in generating publications than new drug therapies. This partly results from the trial and error based methodologies used. We discuss experimental techniques capable of obtaining mechanistic insight into LDS structure and behavior. Insight obtained purely experimentally is, however, limited; computational modeling using molecular dynamics simulation can provide insight not otherwise available. We review computational research, that makes use of the multiscale modeling paradigm, simulating the phospholipid membrane with all atom resolution and the entire liposome with coarse grained models. We discuss in greater detail the computational modeling of liposome PEGylation. Overall, we wish to convey the power that lies in the combined use of experimental and computational methodologies; we hope to provide a roadmap for the rational design of LDS based therapies. Computational modeling is able to provide mechanistic insight that explains the context of experimental results and can also take the lead and inspire new directions for experimental research into LDS development. This article is part of a Special Issue entitled: Biosimulations edited by Ilpo Vattulainen and Tomasz Róg. Copyright © 2016 Elsevier B.V. All rights reserved.

Coarse-Grained Lattice Model Simulations of Sequence-Structure Fitness of a Ribosome-Inactivating Protein

DTIC Science & Technology

2007-11-05

limits of what is considered practical when applying all-atom molecular - dynamics simulation methods. Lattice models provide computationally robust...of expectation values from the density of states. All-atom molecular - dynamics simulations provide the most rigorous sampling method to generate con... molecular - dynamics simulations of protein folding,6–9 reported studies of computing a heat capacity or other calorimetric observables have been limited to

A Systematic Investigation of Computation Models for Predicting Adverse Drug Reactions (ADRs)

PubMed Central

Kuang, Qifan; Wang, MinQi; Li, Rong; Dong, YongCheng; Li, Yizhou; Li, Menglong

2014-01-01

Background Early and accurate identification of adverse drug reactions (ADRs) is critically important for drug development and clinical safety. Computer-aided prediction of ADRs has attracted increasing attention in recent years, and many computational models have been proposed. However, because of the lack of systematic analysis and comparison of the different computational models, there remain limitations in designing more effective algorithms and selecting more useful features. There is therefore an urgent need to review and analyze previous computation models to obtain general conclusions that can provide useful guidance to construct more effective computational models to predict ADRs. Principal Findings In the current study, the main work is to compare and analyze the performance of existing computational methods to predict ADRs, by implementing and evaluating additional algorithms that have been earlier used for predicting drug targets. Our results indicated that topological and intrinsic features were complementary to an extent and the Jaccard coefficient had an important and general effect on the prediction of drug-ADR associations. By comparing the structure of each algorithm, final formulas of these algorithms were all converted to linear model in form, based on this finding we propose a new algorithm called the general weighted profile method and it yielded the best overall performance among the algorithms investigated in this paper. Conclusion Several meaningful conclusions and useful findings regarding the prediction of ADRs are provided for selecting optimal features and algorithms. PMID:25180585

omniClassifier: a Desktop Grid Computing System for Big Data Prediction Modeling

PubMed Central

Phan, John H.; Kothari, Sonal; Wang, May D.

2016-01-01

Robust prediction models are important for numerous science, engineering, and biomedical applications. However, best-practice procedures for optimizing prediction models can be computationally complex, especially when choosing models from among hundreds or thousands of parameter choices. Computational complexity has further increased with the growth of data in these fields, concurrent with the era of “Big Data”. Grid computing is a potential solution to the computational challenges of Big Data. Desktop grid computing, which uses idle CPU cycles of commodity desktop machines, coupled with commercial cloud computing resources can enable research labs to gain easier and more cost effective access to vast computing resources. We have developed omniClassifier, a multi-purpose prediction modeling application that provides researchers with a tool for conducting machine learning research within the guidelines of recommended best-practices. omniClassifier is implemented as a desktop grid computing system using the Berkeley Open Infrastructure for Network Computing (BOINC) middleware. In addition to describing implementation details, we use various gene expression datasets to demonstrate the potential scalability of omniClassifier for efficient and robust Big Data prediction modeling. A prototype of omniClassifier can be accessed at http://omniclassifier.bme.gatech.edu/. PMID:27532062

Computational Psychometrics for Modeling System Dynamics during Stressful Disasters

PubMed Central

Cipresso, Pietro; Bessi, Alessandro; Colombo, Desirée; Pedroli, Elisa; Riva, Giuseppe

2017-01-01

Disasters can be very stressful events. However, computational models of stress require data that might be very difficult to collect during disasters. Moreover, personal experiences are not repeatable, so it is not possible to collect bottom-up information when building a coherent model. To overcome these problems, we propose the use of computational models and virtual reality integration to recreate disaster situations, while examining possible dynamics in order to understand human behavior and relative consequences. By providing realistic parameters associated with disaster situations, computational scientists can work more closely with emergency responders to improve the quality of interventions in the future. PMID:28861026

How Adverse Outcome Pathways Can Aid the Development and Use of Computational Prediction Models for Regulatory Toxicology.

PubMed

Wittwehr, Clemens; Aladjov, Hristo; Ankley, Gerald; Byrne, Hugh J; de Knecht, Joop; Heinzle, Elmar; Klambauer, Günter; Landesmann, Brigitte; Luijten, Mirjam; MacKay, Cameron; Maxwell, Gavin; Meek, M E Bette; Paini, Alicia; Perkins, Edward; Sobanski, Tomasz; Villeneuve, Dan; Waters, Katrina M; Whelan, Maurice

2017-02-01

Efforts are underway to transform regulatory toxicology and chemical safety assessment from a largely empirical science based on direct observation of apical toxicity outcomes in whole organism toxicity tests to a predictive one in which outcomes and risk are inferred from accumulated mechanistic understanding. The adverse outcome pathway (AOP) framework provides a systematic approach for organizing knowledge that may support such inference. Likewise, computational models of biological systems at various scales provide another means and platform to integrate current biological understanding to facilitate inference and extrapolation. We argue that the systematic organization of knowledge into AOP frameworks can inform and help direct the design and development of computational prediction models that can further enhance the utility of mechanistic and in silico data for chemical safety assessment. This concept was explored as part of a workshop on AOP-Informed Predictive Modeling Approaches for Regulatory Toxicology held September 24-25, 2015. Examples of AOP-informed model development and its application to the assessment of chemicals for skin sensitization and multiple modes of endocrine disruption are provided. The role of problem formulation, not only as a critical phase of risk assessment, but also as guide for both AOP and complementary model development is described. Finally, a proposal for actively engaging the modeling community in AOP-informed computational model development is made. The contents serve as a vision for how AOPs can be leveraged to facilitate development of computational prediction models needed to support the next generation of chemical safety assessment. © The Author 2016. Published by Oxford University Press on behalf of the Society of Toxicology.

Closing the race and gender gaps in computer science education

NASA Astrophysics Data System (ADS)

Robinson, John Henry

Life in a technological society brings new paradigms and pressures to bear on education. These pressures are magnified for underrepresented students and must be addressed if they are to play a vital part in society. Educational pipelines need to be established to provide at risk students with the means and opportunity to succeed in science, technology, engineering, and mathematics (STEM) majors. STEM educational pipelines are programs consisting of components that seek to facilitate students' completion of a college degree by providing access to higher education, intervention, mentoring, support infrastructure, and programs that encourage academic success. Successes in the STEM professions mean that more educators, scientist, engineers, and researchers will be available to add diversity to the professions and to provide role models for future generations. The issues that the educational pipelines must address are improving at risk groups' perceptions and awareness of the math, science, and engineering professions. Additionally, the educational pipelines must provide intervention in math preparation, overcome gender and race socialization, and provide mentors and counseling to help students achieve better self perceptions and provide positive role models. This study was designed to explorer the underrepresentation of minorities and women in the computer science major at Rowan University through a multilayered action research methodology. The purpose of this research study was to define and understand the needs of underrepresented students in computer science, to examine current policies and enrollment data for Rowan University, to develop a historical profile of the Computer Science program from the standpoint of ethnicity and gender enrollment to ascertain trends in students' choice of computer science as a major, and an attempt to determine if raising awareness about computer science for incoming freshmen, and providing an alternate route into the computer science major will entice more women and minorities to pursue a degree in computer science at Rowan University. Finally, this study examined my espoused leadership theories and my leadership theories in use through reflective practices as I progressed through the cycles of this project. The outcomes of this study indicated a large downward trend in women enrollment in computer science and a relatively flat trend in minority enrollment. The enrollment data at Rowan University was found to follow a nationwide trend for underrepresented students' enrollment in STEM majors. The study also indicated that students' mental models are based upon their race and gender socialization and their understanding of the world and society. The mental models were shown to play a large role in the students' choice of major. Finally, a computer science pipeline was designed and piloted as part of this study in an attempt to entice more students into the major and facilitate their success. Additionally, the mental models of the participants were challenged through interactions to make them aware of what possibilities are available with a degree in computer science. The entire study was wrapped in my leadership, which was practiced and studied over the course of this work.

Analyzing and Evaluating the 1:1 Learning Model: What Would Dewey Do?

ERIC Educational Resources Information Center

Boulden, Danielle Cadieux

2017-01-01

One-to-one computing models, in which every student in a classroom is provided access to a digital device for instruction, have gained traction and popularity as an instructional model across United States classrooms and around the globe. This paper explores and evaluates these 1:1 computing models in K-12 learning environments through the lens of…

Open Source Molecular Modeling

PubMed Central

Pirhadi, Somayeh; Sunseri, Jocelyn; Koes, David Ryan

2016-01-01

The success of molecular modeling and computational chemistry efforts are, by definition, dependent on quality software applications. Open source software development provides many advantages to users of modeling applications, not the least of which is that the software is free and completely extendable. In this review we categorize, enumerate, and describe available open source software packages for molecular modeling and computational chemistry. PMID:27631126

Computational Model-Based Prediction of Human Episodic Memory Performance Based on Eye Movements

NASA Astrophysics Data System (ADS)

Sato, Naoyuki; Yamaguchi, Yoko

Subjects' episodic memory performance is not simply reflected by eye movements. We use a ‘theta phase coding’ model of the hippocampus to predict subjects' memory performance from their eye movements. Results demonstrate the ability of the model to predict subjects' memory performance. These studies provide a novel approach to computational modeling in the human-machine interface.

Update of aircraft profile data for the Integrated Noise Model computer program, vol. 3 : appendix B aircraft performance coefficients

DOT National Transportation Integrated Search

1992-03-01

This report provides aircraft takeoff and landing profiles, : aircraft aerodynamic performance coefficients and engine : performance coefficients for the aircraft data base : (Database 9) in the Integrated Noise Model (INM) computer : program. Flight...

Computational Modeling in Concert with Laboratory Studies: Application to B Cell Differentiation

EPA Science Inventory

Remediation is expensive, so accurate prediction of dose-response is important to help control costs. Dose response is a function of biological mechanisms. Computational models of these mechanisms improve the efficiency of research and provide the capability for prediction.

Computer network environment planning and analysis

NASA Technical Reports Server (NTRS)

Dalphin, John F.

1989-01-01

The GSFC Computer Network Environment provides a broadband RF cable between campus buildings and ethernet spines in buildings for the interlinking of Local Area Networks (LANs). This system provides terminal and computer linkage among host and user systems thereby providing E-mail services, file exchange capability, and certain distributed computing opportunities. The Environment is designed to be transparent and supports multiple protocols. Networking at Goddard has a short history and has been under coordinated control of a Network Steering Committee for slightly more than two years; network growth has been rapid with more than 1500 nodes currently addressed and greater expansion expected. A new RF cable system with a different topology is being installed during summer 1989; consideration of a fiber optics system for the future will begin soon. Summmer study was directed toward Network Steering Committee operation and planning plus consideration of Center Network Environment analysis and modeling. Biweekly Steering Committee meetings were attended to learn the background of the network and the concerns of those managing it. Suggestions for historical data gathering have been made to support future planning and modeling. Data Systems Dynamic Simulator, a simulation package developed at NASA and maintained at GSFC was studied as a possible modeling tool for the network environment. A modeling concept based on a hierarchical model was hypothesized for further development. Such a model would allow input of newly updated parameters and would provide an estimation of the behavior of the network.

The neuroscience of vision-based grasping: a functional review for computational modeling and bio-inspired robotics.

PubMed

Chinellato, Eris; Del Pobil, Angel P

2009-06-01

The topic of vision-based grasping is being widely studied in humans and in other primates using various techniques and with different goals. The fundamental related findings are reviewed in this paper, with the aim of providing researchers from different fields, including intelligent robotics and neural computation, a comprehensive but accessible view on the subject. A detailed description of the principal sensorimotor processes and the brain areas involved is provided following a functional perspective, in order to make this survey especially useful for computational modeling and bio-inspired robotic applications.

ATLAS Cloud R&D

NASA Astrophysics Data System (ADS)

Panitkin, Sergey; Barreiro Megino, Fernando; Caballero Bejar, Jose; Benjamin, Doug; Di Girolamo, Alessandro; Gable, Ian; Hendrix, Val; Hover, John; Kucharczyk, Katarzyna; Medrano Llamas, Ramon; Love, Peter; Ohman, Henrik; Paterson, Michael; Sobie, Randall; Taylor, Ryan; Walker, Rodney; Zaytsev, Alexander; Atlas Collaboration

2014-06-01

The computing model of the ATLAS experiment was designed around the concept of grid computing and, since the start of data taking, this model has proven very successful. However, new cloud computing technologies bring attractive features to improve the operations and elasticity of scientific distributed computing. ATLAS sees grid and cloud computing as complementary technologies that will coexist at different levels of resource abstraction, and two years ago created an R&D working group to investigate the different integration scenarios. The ATLAS Cloud Computing R&D has been able to demonstrate the feasibility of offloading work from grid to cloud sites and, as of today, is able to integrate transparently various cloud resources into the PanDA workload management system. The ATLAS Cloud Computing R&D is operating various PanDA queues on private and public resources and has provided several hundred thousand CPU days to the experiment. As a result, the ATLAS Cloud Computing R&D group has gained a significant insight into the cloud computing landscape and has identified points that still need to be addressed in order to fully utilize this technology. This contribution will explain the cloud integration models that are being evaluated and will discuss ATLAS' learning during the collaboration with leading commercial and academic cloud providers.

Feasibility of Equivalent Dipole Models for Electroencephalogram-Based Brain Computer Interfaces.

PubMed

Schimpf, Paul H

2017-09-15

This article examines the localization errors of equivalent dipolar sources inverted from the surface electroencephalogram in order to determine the feasibility of using their location as classification parameters for non-invasive brain computer interfaces. Inverse localization errors are examined for two head models: a model represented by four concentric spheres and a realistic model based on medical imagery. It is shown that the spherical model results in localization ambiguity such that a number of dipolar sources, with different azimuths and varying orientations, provide a near match to the electroencephalogram of the best equivalent source. No such ambiguity exists for the elevation of inverted sources, indicating that for spherical head models, only the elevation of inverted sources (and not the azimuth) can be expected to provide meaningful classification parameters for brain-computer interfaces. In a realistic head model, all three parameters of the inverted source location are found to be reliable, providing a more robust set of parameters. In both cases, the residual error hypersurfaces demonstrate local minima, indicating that a search for the best-matching sources should be global. Source localization error vs. signal-to-noise ratio is also demonstrated for both head models.

Computer Programs For Automated Welding System

NASA Technical Reports Server (NTRS)

Agapakis, John E.

1993-01-01

Computer programs developed for use in controlling automated welding system described in MFS-28578. Together with control computer, computer input and output devices and control sensors and actuators, provide flexible capability for planning and implementation of schemes for automated welding of specific workpieces. Developed according to macro- and task-level programming schemes, which increases productivity and consistency by reducing amount of "teaching" of system by technician. System provides for three-dimensional mathematical modeling of workpieces, work cells, robots, and positioners.

Biocellion: accelerating computer simulation of multicellular biological system models.

PubMed

Kang, Seunghwa; Kahan, Simon; McDermott, Jason; Flann, Nicholas; Shmulevich, Ilya

2014-11-01

Biological system behaviors are often the outcome of complex interactions among a large number of cells and their biotic and abiotic environment. Computational biologists attempt to understand, predict and manipulate biological system behavior through mathematical modeling and computer simulation. Discrete agent-based modeling (in combination with high-resolution grids to model the extracellular environment) is a popular approach for building biological system models. However, the computational complexity of this approach forces computational biologists to resort to coarser resolution approaches to simulate large biological systems. High-performance parallel computers have the potential to address the computing challenge, but writing efficient software for parallel computers is difficult and time-consuming. We have developed Biocellion, a high-performance software framework, to solve this computing challenge using parallel computers. To support a wide range of multicellular biological system models, Biocellion asks users to provide their model specifics by filling the function body of pre-defined model routines. Using Biocellion, modelers without parallel computing expertise can efficiently exploit parallel computers with less effort than writing sequential programs from scratch. We simulate cell sorting, microbial patterning and a bacterial system in soil aggregate as case studies. Biocellion runs on x86 compatible systems with the 64 bit Linux operating system and is freely available for academic use. Visit http://biocellion.com for additional information. © The Author 2014. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

Turn Teachers into Techies with "Computers to Go."

ERIC Educational Resources Information Center

Lare, Douglas

1991-01-01

Because unskilled teachers are unlikely to promote effective educational use of computers, the Catasauqua (Pennsylvania) Area School District compensates its teachers for computer training and provides them with computers for home use. The nonsalary cost of this successful program, modeled after Kirkland, Washington's experience, is less than…

Validation of a computational knee joint model using an alignment method for the knee laxity test and computed tomography.

PubMed

Kang, Kyoung-Tak; Kim, Sung-Hwan; Son, Juhyun; Lee, Young Han; Koh, Yong-Gon

2017-01-01

Computational models have been identified as efficient techniques in the clinical decision-making process. However, computational model was validated using published data in most previous studies, and the kinematic validation of such models still remains a challenge. Recently, studies using medical imaging have provided a more accurate visualization of knee joint kinematics. The purpose of the present study was to perform kinematic validation for the subject-specific computational knee joint model by comparison with subject's medical imaging under identical laxity condition. The laxity test was applied to the anterior-posterior drawer under 90° flexion and the varus-valgus under 20° flexion with a series of stress radiographs, a Telos device, and computed tomography. The loading condition in the computational subject-specific knee joint model was identical to the laxity test condition in the medical image. Our computational model showed knee laxity kinematic trends that were consistent with the computed tomography images, except for negligible differences because of the indirect application of the subject's in vivo material properties. Medical imaging based on computed tomography with the laxity test allowed us to measure not only the precise translation but also the rotation of the knee joint. This methodology will be beneficial in the validation of laxity tests for subject- or patient-specific computational models.

Efficient and Extensible Quasi-Explicit Modular Nonlinear Multiscale Battery Model: GH-MSMD

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

Kim, Gi-Heon; Smith, Kandler; Lawrence-Simon, Jake

Complex physics and long computation time hinder the adoption of computer aided engineering models in the design of large-format battery cells and systems. A modular, efficient battery simulation model -- the multiscale multidomain (MSMD) model -- was previously introduced to aid the scale-up of Li-ion material and electrode designs to complete cell and pack designs, capturing electrochemical interplay with 3-D electronic current pathways and thermal response. Here, this paper enhances the computational efficiency of the MSMD model using a separation of time-scales principle to decompose model field variables. The decomposition provides a quasi-explicit linkage between the multiple length-scale domains andmore » thus reduces time-consuming nested iteration when solving model equations across multiple domains. In addition to particle-, electrode- and cell-length scales treated in the previous work, the present formulation extends to bus bar- and multi-cell module-length scales. We provide example simulations for several variants of GH electrode-domain models.« less

Efficient and Extensible Quasi-Explicit Modular Nonlinear Multiscale Battery Model: GH-MSMD

DOE PAGES

Kim, Gi-Heon; Smith, Kandler; Lawrence-Simon, Jake; ...

2017-03-24

Complex physics and long computation time hinder the adoption of computer aided engineering models in the design of large-format battery cells and systems. A modular, efficient battery simulation model -- the multiscale multidomain (MSMD) model -- was previously introduced to aid the scale-up of Li-ion material and electrode designs to complete cell and pack designs, capturing electrochemical interplay with 3-D electronic current pathways and thermal response. Here, this paper enhances the computational efficiency of the MSMD model using a separation of time-scales principle to decompose model field variables. The decomposition provides a quasi-explicit linkage between the multiple length-scale domains andmore » thus reduces time-consuming nested iteration when solving model equations across multiple domains. In addition to particle-, electrode- and cell-length scales treated in the previous work, the present formulation extends to bus bar- and multi-cell module-length scales. We provide example simulations for several variants of GH electrode-domain models.« less

A flow-simulation model of the tidal Potomac River

USGS Publications Warehouse

Schaffranek, Raymond W.

1987-01-01

A one-dimensional model capable of simulating flow in a network of interconnected channels has been applied to the tidal Potomac River including its major tributaries and embayments between Washington, D.C., and Indian Head, Md. The model can be used to compute water-surface elevations and flow discharges at any of 66 predetermined locations or at any alternative river cross sections definable within the network of channels. In addition, the model can be used to provide tidal-interchange flow volumes and to evaluate tidal excursions and the flushing properties of the riverine system. Comparisons of model-computed results with measured watersurface elevations and discharges demonstrate the validity and accuracy of the model. Tidal-cycle flow volumes computed by the calibrated model have been verified to be within an accuracy of ? 10 percent. Quantitative characteristics of the hydrodynamics of the tidal river are identified and discussed. The comprehensive flow data provided by the model can be used to better understand the geochemical, biological, and other processes affecting the river's water quality.

Research on the digital education resources of sharing pattern in independent colleges based on cloud computing environment

NASA Astrophysics Data System (ADS)

Xiong, Ting; He, Zhiwen

2017-06-01

Cloud computing was first proposed by Google Company in the United States, which was based on the Internet center, providing a standard and open network sharing service approach. With the rapid development of the higher education in China, the educational resources provided by colleges and universities had greatly gap in the actual needs of teaching resources. therefore, Cloud computing of using the Internet technology to provide shared methods liked the timely rain, which had become an important means of the Digital Education on sharing applications in the current higher education. Based on Cloud computing environment, the paper analyzed the existing problems about the sharing of digital educational resources in Jiangxi Province Independent Colleges. According to the sharing characteristics of mass storage, efficient operation and low input about Cloud computing, the author explored and studied the design of the sharing model about the digital educational resources of higher education in Independent College. Finally, the design of the shared model was put into the practical applications.

Nurturing a growing field: Computers & Geosciences

NASA Astrophysics Data System (ADS)

Mariethoz, Gregoire; Pebesma, Edzer

2017-10-01

Computational issues are becoming increasingly critical for virtually all fields of geoscience. This includes the development of improved algorithms and models, strategies for implementing high-performance computing, or the management and visualization of the large datasets provided by an ever-growing number of environmental sensors. Such issues are central to scientific fields as diverse as geological modeling, Earth observation, geophysics or climatology, to name just a few. Related computational advances, across a range of geoscience disciplines, are the core focus of Computers & Geosciences, which is thus a truly multidisciplinary journal.

BioModels.net Web Services, a free and integrated toolkit for computational modelling software.

PubMed

Li, Chen; Courtot, Mélanie; Le Novère, Nicolas; Laibe, Camille

2010-05-01

Exchanging and sharing scientific results are essential for researchers in the field of computational modelling. BioModels.net defines agreed-upon standards for model curation. A fundamental one, MIRIAM (Minimum Information Requested in the Annotation of Models), standardises the annotation and curation process of quantitative models in biology. To support this standard, MIRIAM Resources maintains a set of standard data types for annotating models, and provides services for manipulating these annotations. Furthermore, BioModels.net creates controlled vocabularies, such as SBO (Systems Biology Ontology) which strictly indexes, defines and links terms used in Systems Biology. Finally, BioModels Database provides a free, centralised, publicly accessible database for storing, searching and retrieving curated and annotated computational models. Each resource provides a web interface to submit, search, retrieve and display its data. In addition, the BioModels.net team provides a set of Web Services which allows the community to programmatically access the resources. A user is then able to perform remote queries, such as retrieving a model and resolving all its MIRIAM Annotations, as well as getting the details about the associated SBO terms. These web services use established standards. Communications rely on SOAP (Simple Object Access Protocol) messages and the available queries are described in a WSDL (Web Services Description Language) file. Several libraries are provided in order to simplify the development of client software. BioModels.net Web Services make one step further for the researchers to simulate and understand the entirety of a biological system, by allowing them to retrieve biological models in their own tool, combine queries in workflows and efficiently analyse models.

Ethics and the 7 `P`s` of computer use policies

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

Scott, T.J.; Voss, R.B.

1994-12-31

A Computer Use Policy (CUP) defines who can use the computer facilities for what. The CUP is the institution`s official position on the ethical use of computer facilities. The authors believe that writing a CUP provides an ideal platform to develop a group ethic for computer users. In prior research, the authors have developed a seven phase model for writing CUPs, entitled the 7 P`s of Computer Use Policies. The purpose of this paper is to present the model and discuss how the 7 P`s can be used to identify and communicate a group ethic for the institution`s computer users.

Simple, efficient allocation of modelling runs on heterogeneous clusters with MPI

USGS Publications Warehouse

Donato, David I.

2017-01-01

In scientific modelling and computation, the choice of an appropriate method for allocating tasks for parallel processing depends on the computational setting and on the nature of the computation. The allocation of independent but similar computational tasks, such as modelling runs or Monte Carlo trials, among the nodes of a heterogeneous computational cluster is a special case that has not been specifically evaluated previously. A simulation study shows that a method of on-demand (that is, worker-initiated) pulling from a bag of tasks in this case leads to reliably short makespans for computational jobs despite heterogeneity both within and between cluster nodes. A simple reference implementation in the C programming language with the Message Passing Interface (MPI) is provided.

Role of Statistical Random-Effects Linear Models in Personalized Medicine.

PubMed

Diaz, Francisco J; Yeh, Hung-Wen; de Leon, Jose

2012-03-01

Some empirical studies and recent developments in pharmacokinetic theory suggest that statistical random-effects linear models are valuable tools that allow describing simultaneously patient populations as a whole and patients as individuals. This remarkable characteristic indicates that these models may be useful in the development of personalized medicine, which aims at finding treatment regimes that are appropriate for particular patients, not just appropriate for the average patient. In fact, published developments show that random-effects linear models may provide a solid theoretical framework for drug dosage individualization in chronic diseases. In particular, individualized dosages computed with these models by means of an empirical Bayesian approach may produce better results than dosages computed with some methods routinely used in therapeutic drug monitoring. This is further supported by published empirical and theoretical findings that show that random effects linear models may provide accurate representations of phase III and IV steady-state pharmacokinetic data, and may be useful for dosage computations. These models have applications in the design of clinical algorithms for drug dosage individualization in chronic diseases; in the computation of dose correction factors; computation of the minimum number of blood samples from a patient that are necessary for calculating an optimal individualized drug dosage in therapeutic drug monitoring; measure of the clinical importance of clinical, demographic, environmental or genetic covariates; study of drug-drug interactions in clinical settings; the implementation of computational tools for web-site-based evidence farming; design of pharmacogenomic studies; and in the development of a pharmacological theory of dosage individualization.

ADDRESSING HUMAN EXPOSURE TO AIR POLLUTANTS AROUND BUILDINGS IN URBAN AREAS WITH COMPUTATIONAL FLUID DYNAMICS (CFD) MODELS

EPA Science Inventory

Computational Fluid Dynamics (CFD) simulations provide a number of unique opportunities for expanding and improving capabilities for modeling exposures to environmental pollutants. The US Environmental Protection Agency's National Exposure Research Laboratory (NERL) has been c...

Improving Perceptual Skills with 3-Dimensional Animations.

ERIC Educational Resources Information Center

Johns, Janet Faye; Brander, Julianne Marie

1998-01-01

Describes three-dimensional computer aided design (CAD) models for every component in a representative mechanical system; the CAD models made it easy to generate 3-D animations that are ideal for teaching perceptual skills in multimedia computer-based technical training. Fifteen illustrations are provided. (AEF)

Dynamic computer model for the metallogenesis and tectonics of the Circum-North Pacific

USGS Publications Warehouse

Scotese, Christopher R.; Nokleberg, Warren J.; Monger, James W.H.; Norton, Ian O.; Parfenov, Leonid M.; Khanchuk, Alexander I.; Bundtzen, Thomas K.; Dawson, Kenneth M.; Eremin, Roman A.; Frolov, Yuri F.; Fujita, Kazuya; Goryachev, Nikolai A.; Pozdeev, Anany I.; Ratkin, Vladimir V.; Rodinov, Sergey M.; Rozenblum, Ilya S.; Scholl, David W.; Shpikerman, Vladimir I.; Sidorov, Anatoly A.; Stone, David B.

2001-01-01

The digital files on this report consist of a dynamic computer model of the metallogenesis and tectonics of the Circum-North Pacific, and background articles, figures, and maps. The tectonic part of the dynamic computer model is derived from a major analysis of the tectonic evolution of the Circum-North Pacific which is also contained in directory tectevol. The dynamic computer model and associated materials on this CD-ROM are part of a project on the major mineral deposits, metallogenesis, and tectonics of the Russian Far East, Alaska, and the Canadian Cordillera. The project provides critical information on bedrock geology and geophysics, tectonics, major metalliferous mineral resources, metallogenic patterns, and crustal origin and evolution of mineralizing systems for this region. The major scientific goals and benefits of the project are to: (1) provide a comprehensive international data base on the mineral resources of the region that is the first, extensive knowledge available in English; (2) provide major new interpretations of the origin and crustal evolution of mineralizing systems and their host rocks, thereby enabling enhanced, broad-scale tectonic reconstructions and interpretations; and (3) promote trade and scientific and technical exchanges between North America and Eastern Asia.

Analysis of the DFP/AFCS Systems for Compensating Gravity Distortions on the 70-Meter Antenna

NASA Technical Reports Server (NTRS)

Imbriale, William A.; Hoppe, Daniel J.; Rochblatt, David

2000-01-01

This paper presents the theoretical computations showing the expected performances for both systems. The basic analysis tool is a Physical Optics reflector analysis code that was ported to a parallel computer for faster execution times. There are several steps involved in computing the RF performance of the various systems. 1 . A model of the RF distortions of the main reflector is required. This model is based upon measured holography maps of the 70-meter antenna obtained at 3 elevation angles. The holography maps are then processed (using an appropriate gravity mechanical model of the dish) to provide surface distortion maps at all elevation angles. 2. From the surface distortion maps, ray optics is used to determine the theoretical shape of the DFP that will exactly phase compensate the distortions. 3. From the theoretical shape and a NASTRAN mechanical model of the plate, the actuator positions that generate a surface that provides the best RMS fit to the theoretical model are selected. Using the actuator positions and the NASTRAN model provides an accurate description of the actual mirror shape. 4. Starting from the mechanical drawings of the feed, a computed RF feed pattern is generated. This pattern is expanded into a set of spherical wave modes so that a complete near field analysis of the reflector system can be obtained. 5. For the array feed, the excitation coefficients that provide the maximum gain are computed using a phase conjugate technique. The basic experimental geometry consisted of a dual shaped 70-meter antenna system; a refocusing ellipse, a DFP and an array feed system. To provide physical insight to the systems performance, focal plane field plots are presented at several elevations. Curves of predicted performance are shown for the DFP system, monopulse tracking system, AFCS and combined DFP/AFCS system. The calculated results show that the combined DFP/AFCS system is capable of recovering the majority of the gain lost due to gravity distortion.

The use of analytical models in human-computer interface design

NASA Technical Reports Server (NTRS)

Gugerty, Leo

1993-01-01

Recently, a large number of human-computer interface (HCI) researchers have investigated building analytical models of the user, which are often implemented as computer models. These models simulate the cognitive processes and task knowledge of the user in ways that allow a researcher or designer to estimate various aspects of an interface's usability, such as when user errors are likely to occur. This information can lead to design improvements. Analytical models can supplement design guidelines by providing designers rigorous ways of analyzing the information-processing requirements of specific tasks (i.e., task analysis). These models offer the potential of improving early designs and replacing some of the early phases of usability testing, thus reducing the cost of interface design. This paper describes some of the many analytical models that are currently being developed and evaluates the usefulness of analytical models for human-computer interface design. This paper will focus on computational, analytical models, such as the GOMS model, rather than less formal, verbal models, because the more exact predictions and task descriptions of computational models may be useful to designers. The paper also discusses some of the practical requirements for using analytical models in complex design organizations such as NASA.

Pulse!!: a model for research and development of virtual-reality learning in military medical education and training.

PubMed

Dunne, James R; McDonald, Claudia L

2010-07-01

Pulse!! The Virtual Clinical Learning Lab at Texas A&M University-Corpus Christi, in collaboration with the United States Navy, has developed a model for research and technological development that they believe is an essential element in the future of military and civilian medical education. The Pulse!! project models a strategy for providing cross-disciplinary expertise and resources to educational, governmental, and business entities challenged with meeting looming health care crises. It includes a three-dimensional virtual learning platform that provides unlimited, repeatable, immersive clinical experiences without risk to patients, and is available anywhere there is a computer. Pulse!! utilizes expertise in the fields of medicine, medical education, computer science, software engineering, physics, computer animation, art, and architecture. Lab scientists collaborate with the commercial virtual-reality simulation industry to produce research-based learning platforms based on cutting-edge computer technology.

A feasibility study on porting the community land model onto accelerators using OpenACC

DOE PAGES

Wang, Dali; Wu, Wei; Winkler, Frank; ...

2014-01-01

As environmental models (such as Accelerated Climate Model for Energy (ACME), Parallel Reactive Flow and Transport Model (PFLOTRAN), Arctic Terrestrial Simulator (ATS), etc.) became more and more complicated, we are facing enormous challenges regarding to porting those applications onto hybrid computing architecture. OpenACC appears as a very promising technology, therefore, we have conducted a feasibility analysis on porting the Community Land Model (CLM), a terrestrial ecosystem model within the Community Earth System Models (CESM)). Specifically, we used automatic function testing platform to extract a small computing kernel out of CLM, then we apply this kernel into the actually CLM dataflowmore » procedure, and investigate the strategy of data parallelization and the benefit of data movement provided by current implementation of OpenACC. Even it is a non-intensive kernel, on a single 16-core computing node, the performance (based on the actual computation time using one GPU) of OpenACC implementation is 2.3 time faster than that of OpenMP implementation using single OpenMP thread, but it is 2.8 times slower than the performance of OpenMP implementation using 16 threads. On multiple nodes, MPI_OpenACC implementation demonstrated very good scalability on up to 128 GPUs on 128 computing nodes. This study also provides useful information for us to look into the potential benefits of “deep copy” capability and “routine” feature of OpenACC standards. In conclusion, we believe that our experience on the environmental model, CLM, can be beneficial to many other scientific research programs who are interested to porting their large scale scientific code using OpenACC onto high-end computers, empowered by hybrid computing architecture.« less

Modeling a Wireless Network for International Space Station

NASA Technical Reports Server (NTRS)

Alena, Richard; Yaprak, Ece; Lamouri, Saad

2000-01-01

This paper describes the application of wireless local area network (LAN) simulation modeling methods to the hybrid LAN architecture designed for supporting crew-computing tools aboard the International Space Station (ISS). These crew-computing tools, such as wearable computers and portable advisory systems, will provide crew members with real-time vehicle and payload status information and access to digital technical and scientific libraries, significantly enhancing human capabilities in space. A wireless network, therefore, will provide wearable computer and remote instruments with the high performance computational power needed by next-generation 'intelligent' software applications. Wireless network performance in such simulated environments is characterized by the sustainable throughput of data under different traffic conditions. This data will be used to help plan the addition of more access points supporting new modules and more nodes for increased network capacity as the ISS grows.

A frequentist approach to computer model calibration

DOE PAGES

Wong, Raymond K. W.; Storlie, Curtis Byron; Lee, Thomas C. M.

2016-05-05

The paper considers the computer model calibration problem and provides a general frequentist solution. Under the framework proposed, the data model is semiparametric with a non-parametric discrepancy function which accounts for any discrepancy between physical reality and the computer model. In an attempt to solve a fundamentally important (but often ignored) identifiability issue between the computer model parameters and the discrepancy function, the paper proposes a new and identifiable parameterization of the calibration problem. It also develops a two-step procedure for estimating all the relevant quantities under the new parameterization. This estimation procedure is shown to enjoy excellent rates ofmore » convergence and can be straightforwardly implemented with existing software. For uncertainty quantification, bootstrapping is adopted to construct confidence regions for the quantities of interest. As a result, the practical performance of the methodology is illustrated through simulation examples and an application to a computational fluid dynamics model.« less

Evaluation of the chondral modeling theory using fe-simulation and numeric shape optimization

PubMed Central

Plochocki, Jeffrey H; Ward, Carol V; Smith, Douglas E

2009-01-01

The chondral modeling theory proposes that hydrostatic pressure within articular cartilage regulates joint size, shape, and congruence through regional variations in rates of tissue proliferation.The purpose of this study is to develop a computational model using a nonlinear two-dimensional finite element analysis in conjunction with numeric shape optimization to evaluate the chondral modeling theory. The model employed in this analysis is generated from an MR image of the medial portion of the tibiofemoral joint in a subadult male. Stress-regulated morphological changes are simulated until skeletal maturity and evaluated against the chondral modeling theory. The computed results are found to support the chondral modeling theory. The shape-optimized model exhibits increased joint congruence, broader stress distributions in articular cartilage, and a relative decrease in joint diameter. The results for the computational model correspond well with experimental data and provide valuable insights into the mechanical determinants of joint growth. The model also provides a crucial first step toward developing a comprehensive model that can be employed to test the influence of mechanical variables on joint conformation. PMID:19438771

Distributed geospatial model sharing based on open interoperability standards

USGS Publications Warehouse

Feng, Min; Liu, Shuguang; Euliss, Ned H.; Fang, Yin

2009-01-01

Numerous geospatial computational models have been developed based on sound principles and published in journals or presented in conferences. However modelers have made few advances in the development of computable modules that facilitate sharing during model development or utilization. Constraints hampering development of model sharing technology includes limitations on computing, storage, and connectivity; traditional stand-alone and closed network systems cannot fully support sharing and integrating geospatial models. To address this need, we have identified methods for sharing geospatial computational models using Service Oriented Architecture (SOA) techniques and open geospatial standards. The service-oriented model sharing service is accessible using any tools or systems compliant with open geospatial standards, making it possible to utilize vast scientific resources available from around the world to solve highly sophisticated application problems. The methods also allow model services to be empowered by diverse computational devices and technologies, such as portable devices and GRID computing infrastructures. Based on the generic and abstract operations and data structures required for Web Processing Service (WPS) standards, we developed an interactive interface for model sharing to help reduce interoperability problems for model use. Geospatial computational models are shared on model services, where the computational processes provided by models can be accessed through tools and systems compliant with WPS. We developed a platform to help modelers publish individual models in a simplified and efficient way. Finally, we illustrate our technique using wetland hydrological models we developed for the prairie pothole region of North America.

Computer Language For Optimization Of Design

NASA Technical Reports Server (NTRS)

Scotti, Stephen J.; Lucas, Stephen H.

1991-01-01

SOL is computer language geared to solution of design problems. Includes mathematical modeling and logical capabilities of computer language like FORTRAN; also includes additional power of nonlinear mathematical programming methods at language level. SOL compiler takes SOL-language statements and generates equivalent FORTRAN code and system calls. Provides syntactic and semantic checking for recovery from errors and provides detailed reports containing cross-references to show where each variable used. Implemented on VAX/VMS computer systems. Requires VAX FORTRAN compiler to produce executable program.

Perspectives on Sharing Models and Related Resources in Computational Biomechanics Research.

PubMed

Erdemir, Ahmet; Hunter, Peter J; Holzapfel, Gerhard A; Loew, Leslie M; Middleton, John; Jacobs, Christopher R; Nithiarasu, Perumal; Löhner, Rainlad; Wei, Guowei; Winkelstein, Beth A; Barocas, Victor H; Guilak, Farshid; Ku, Joy P; Hicks, Jennifer L; Delp, Scott L; Sacks, Michael; Weiss, Jeffrey A; Ateshian, Gerard A; Maas, Steve A; McCulloch, Andrew D; Peng, Grace C Y

2018-02-01

The role of computational modeling for biomechanics research and related clinical care will be increasingly prominent. The biomechanics community has been developing computational models routinely for exploration of the mechanics and mechanobiology of diverse biological structures. As a result, a large array of models, data, and discipline-specific simulation software has emerged to support endeavors in computational biomechanics. Sharing computational models and related data and simulation software has first become a utilitarian interest, and now, it is a necessity. Exchange of models, in support of knowledge exchange provided by scholarly publishing, has important implications. Specifically, model sharing can facilitate assessment of reproducibility in computational biomechanics and can provide an opportunity for repurposing and reuse, and a venue for medical training. The community's desire to investigate biological and biomechanical phenomena crossing multiple systems, scales, and physical domains, also motivates sharing of modeling resources as blending of models developed by domain experts will be a required step for comprehensive simulation studies as well as the enhancement of their rigor and reproducibility. The goal of this paper is to understand current perspectives in the biomechanics community for the sharing of computational models and related resources. Opinions on opportunities, challenges, and pathways to model sharing, particularly as part of the scholarly publishing workflow, were sought. A group of journal editors and a handful of investigators active in computational biomechanics were approached to collect short opinion pieces as a part of a larger effort of the IEEE EMBS Computational Biology and the Physiome Technical Committee to address model reproducibility through publications. A synthesis of these opinion pieces indicates that the community recognizes the necessity and usefulness of model sharing. There is a strong will to facilitate model sharing, and there are corresponding initiatives by the scientific journals. Outside the publishing enterprise, infrastructure to facilitate model sharing in biomechanics exists, and simulation software developers are interested in accommodating the community's needs for sharing of modeling resources. Encouragement for the use of standardized markups, concerns related to quality assurance, acknowledgement of increased burden, and importance of stewardship of resources are noted. In the short-term, it is advisable that the community builds upon recent strategies and experiments with new pathways for continued demonstration of model sharing, its promotion, and its utility. Nonetheless, the need for a long-term strategy to unify approaches in sharing computational models and related resources is acknowledged. Development of a sustainable platform supported by a culture of open model sharing will likely evolve through continued and inclusive discussions bringing all stakeholders at the table, e.g., by possibly establishing a consortium.

Cloud-Based Numerical Weather Prediction for Near Real-Time Forecasting and Disaster Response

NASA Technical Reports Server (NTRS)

Molthan, Andrew; Case, Jonathan; Venners, Jason; Schroeder, Richard; Checchi, Milton; Zavodsky, Bradley; Limaye, Ashutosh; O'Brien, Raymond

2015-01-01

The use of cloud computing resources continues to grow within the public and private sector components of the weather enterprise as users become more familiar with cloud-computing concepts, and competition among service providers continues to reduce costs and other barriers to entry. Cloud resources can also provide capabilities similar to high-performance computing environments, supporting multi-node systems required for near real-time, regional weather predictions. Referred to as "Infrastructure as a Service", or IaaS, the use of cloud-based computing hardware in an on-demand payment system allows for rapid deployment of a modeling system in environments lacking access to a large, supercomputing infrastructure. Use of IaaS capabilities to support regional weather prediction may be of particular interest to developing countries that have not yet established large supercomputing resources, but would otherwise benefit from a regional weather forecasting capability. Recently, collaborators from NASA Marshall Space Flight Center and Ames Research Center have developed a scripted, on-demand capability for launching the NOAA/NWS Science and Training Resource Center (STRC) Environmental Modeling System (EMS), which includes pre-compiled binaries of the latest version of the Weather Research and Forecasting (WRF) model. The WRF-EMS provides scripting for downloading appropriate initial and boundary conditions from global models, along with higher-resolution vegetation, land surface, and sea surface temperature data sets provided by the NASA Short-term Prediction Research and Transition (SPoRT) Center. This presentation will provide an overview of the modeling system capabilities and benchmarks performed on the Amazon Elastic Compute Cloud (EC2) environment. In addition, the presentation will discuss future opportunities to deploy the system in support of weather prediction in developing countries supported by NASA's SERVIR Project, which provides capacity building activities in environmental monitoring and prediction across a growing number of regional hubs throughout the world. Capacity-building applications that extend numerical weather prediction to developing countries are intended to provide near real-time applications to benefit public health, safety, and economic interests, but may have a greater impact during disaster events by providing a source for local predictions of weather-related hazards, or impacts that local weather events may have during the recovery phase.

Advances in Cross-Cutting Ideas for Computational Climate Science

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

Ng, Esmond; Evans, Katherine J.; Caldwell, Peter

This report presents results from the DOE-sponsored workshop titled, ``Advancing X-Cutting Ideas for Computational Climate Science Workshop,'' known as AXICCS, held on September 12--13, 2016 in Rockville, MD. The workshop brought together experts in climate science, computational climate science, computer science, and mathematics to discuss interesting but unsolved science questions regarding climate modeling and simulation, promoted collaboration among the diverse scientists in attendance, and brainstormed about possible tools and capabilities that could be developed to help address them. Emerged from discussions at the workshop were several research opportunities that the group felt could advance climate science significantly. These include (1)more » process-resolving models to provide insight into important processes and features of interest and inform the development of advanced physical parameterizations, (2) a community effort to develop and provide integrated model credibility, (3) including, organizing, and managing increasingly connected model components that increase model fidelity yet complexity, and (4) treating Earth system models as one interconnected organism without numerical or data based boundaries that limit interactions. The group also identified several cross-cutting advances in mathematics, computer science, and computational science that would be needed to enable one or more of these big ideas. It is critical to address the need for organized, verified, and optimized software, which enables the models to grow and continue to provide solutions in which the community can have confidence. Effectively utilizing the newest computer hardware enables simulation efficiency and the ability to handle output from increasingly complex and detailed models. This will be accomplished through hierarchical multiscale algorithms in tandem with new strategies for data handling, analysis, and storage. These big ideas and cross-cutting technologies for enabling breakthrough climate simulation advancements also need the "glue" of outreach and learning across the scientific domains to be successful. The workshop identified several strategies to allow productive, continuous engagement across those who have a broad knowledge of the various angles of the problem. Specific ideas to foster education and tools to make material progress were discussed. Examples include follow-on cross-cutting meetings that enable unstructured discussions of the types this workshop fostered. A concerted effort to recruit undergraduate and graduate students from all relevant domains and provide them experience, training, and networking across their immediate expertise is needed. This will broaden and expand their exposure to the future needs and solutions, and provide a pipeline of scientists with a diversity of knowledge and know-how. Providing real-world experience with subject matter experts from multiple angles may also motivate the students to attack these problems and even come up with the missing solutions.« less

Advances in Cross-Cutting Ideas for Computational Climate Science

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

Ng, E.; Evans, K.; Caldwell, P.

This report presents results from the DOE-sponsored workshop titled, Advancing X-Cutting Ideas for Computational Climate Science Workshop,'' known as AXICCS, held on September 12--13, 2016 in Rockville, MD. The workshop brought together experts in climate science, computational climate science, computer science, and mathematics to discuss interesting but unsolved science questions regarding climate modeling and simulation, promoted collaboration among the diverse scientists in attendance, and brainstormed about possible tools and capabilities that could be developed to help address them. Emerged from discussions at the workshop were several research opportunities that the group felt could advance climate science significantly. These include (1)more » process-resolving models to provide insight into important processes and features of interest and inform the development of advanced physical parameterizations, (2) a community effort to develop and provide integrated model credibility, (3) including, organizing, and managing increasingly connected model components that increase model fidelity yet complexity, and (4) treating Earth system models as one interconnected organism without numerical or data based boundaries that limit interactions. The group also identified several cross-cutting advances in mathematics, computer science, and computational science that would be needed to enable one or more of these big ideas. It is critical to address the need for organized, verified, and optimized software, which enables the models to grow and continue to provide solutions in which the community can have confidence. Effectively utilizing the newest computer hardware enables simulation efficiency and the ability to handle output from increasingly complex and detailed models. This will be accomplished through hierarchical multiscale algorithms in tandem with new strategies for data handling, analysis, and storage. These big ideas and cross-cutting technologies for enabling breakthrough climate simulation advancements also need the "glue" of outreach and learning across the scientific domains to be successful. The workshop identified several strategies to allow productive, continuous engagement across those who have a broad knowledge of the various angles of the problem. Specific ideas to foster education and tools to make material progress were discussed. Examples include follow-on cross-cutting meetings that enable unstructured discussions of the types this workshop fostered. A concerted effort to recruit undergraduate and graduate students from all relevant domains and provide them experience, training, and networking across their immediate expertise is needed. This will broaden and expand their exposure to the future needs and solutions, and provide a pipeline of scientists with a diversity of knowledge and know-how. Providing real-world experience with subject matter experts from multiple angles may also motivate the students to attack these problems and even come up with the missing solutions.« less

Update of aircraft profile data for the Integrated Noise Model computer program, vol. 2 : appendix A aircraft takeoff and landing profiles

DOT National Transportation Integrated Search

1992-03-01

This report provides aircraft takeoff and landing profiles, aircraft aerodynamic performance coefficients and engine performance coefficients for the aircraft data base (Database 9) in the Integrated Noise Model (INM) computer program. Flight profile...

COMPUTATIONAL TOXICOLOGY: AN IN SILLICO DOSIMETRY MODEL FOR THE ASSESSMENT OF AIR POLLUTANTS

EPA Science Inventory

To accurately assess the threat to human health presented by airborne contaminants, it is necessary to know the deposition patterns of particulate matter (PM) within the respiratory system. To provide a foundation for computational toxicology, we have developed an in silico model...

MOLNs: A CLOUD PLATFORM FOR INTERACTIVE, REPRODUCIBLE, AND SCALABLE SPATIAL STOCHASTIC COMPUTATIONAL EXPERIMENTS IN SYSTEMS BIOLOGY USING PyURDME

PubMed Central

Drawert, Brian; Trogdon, Michael; Toor, Salman; Petzold, Linda; Hellander, Andreas

2017-01-01

Computational experiments using spatial stochastic simulations have led to important new biological insights, but they require specialized tools and a complex software stack, as well as large and scalable compute and data analysis resources due to the large computational cost associated with Monte Carlo computational workflows. The complexity of setting up and managing a large-scale distributed computation environment to support productive and reproducible modeling can be prohibitive for practitioners in systems biology. This results in a barrier to the adoption of spatial stochastic simulation tools, effectively limiting the type of biological questions addressed by quantitative modeling. In this paper, we present PyURDME, a new, user-friendly spatial modeling and simulation package, and MOLNs, a cloud computing appliance for distributed simulation of stochastic reaction-diffusion models. MOLNs is based on IPython and provides an interactive programming platform for development of sharable and reproducible distributed parallel computational experiments. PMID:28190948

Progress in computational toxicology.

PubMed

Ekins, Sean

2014-01-01

Computational methods have been widely applied to toxicology across pharmaceutical, consumer product and environmental fields over the past decade. Progress in computational toxicology is now reviewed. A literature review was performed on computational models for hepatotoxicity (e.g. for drug-induced liver injury (DILI)), cardiotoxicity, renal toxicity and genotoxicity. In addition various publications have been highlighted that use machine learning methods. Several computational toxicology model datasets from past publications were used to compare Bayesian and Support Vector Machine (SVM) learning methods. The increasing amounts of data for defined toxicology endpoints have enabled machine learning models that have been increasingly used for predictions. It is shown that across many different models Bayesian and SVM perform similarly based on cross validation data. Considerable progress has been made in computational toxicology in a decade in both model development and availability of larger scale or 'big data' models. The future efforts in toxicology data generation will likely provide us with hundreds of thousands of compounds that are readily accessible for machine learning models. These models will cover relevant chemistry space for pharmaceutical, consumer product and environmental applications. Copyright © 2013 Elsevier Inc. All rights reserved.

Encapsulating model complexity and landscape-scale analyses of state-and-transition simulation models: an application of ecoinformatics and juniper encroachment in sagebrush steppe ecosystems

USGS Publications Warehouse

O'Donnell, Michael

2015-01-01

State-and-transition simulation modeling relies on knowledge of vegetation composition and structure (states) that describe community conditions, mechanistic feedbacks such as fire that can affect vegetation establishment, and ecological processes that drive community conditions as well as the transitions between these states. However, as the need for modeling larger and more complex landscapes increase, a more advanced awareness of computing resources becomes essential. The objectives of this study include identifying challenges of executing state-and-transition simulation models, identifying common bottlenecks of computing resources, developing a workflow and software that enable parallel processing of Monte Carlo simulations, and identifying the advantages and disadvantages of different computing resources. To address these objectives, this study used the ApexRMS® SyncroSim software and embarrassingly parallel tasks of Monte Carlo simulations on a single multicore computer and on distributed computing systems. The results demonstrated that state-and-transition simulation models scale best in distributed computing environments, such as high-throughput and high-performance computing, because these environments disseminate the workloads across many compute nodes, thereby supporting analysis of larger landscapes, higher spatial resolution vegetation products, and more complex models. Using a case study and five different computing environments, the top result (high-throughput computing versus serial computations) indicated an approximate 96.6% decrease of computing time. With a single, multicore compute node (bottom result), the computing time indicated an 81.8% decrease relative to using serial computations. These results provide insight into the tradeoffs of using different computing resources when research necessitates advanced integration of ecoinformatics incorporating large and complicated data inputs and models. - See more at: http://aimspress.com/aimses/ch/reader/view_abstract.aspx?file_no=Environ2015030&flag=1#sthash.p1XKDtF8.dpuf

Minimum-complexity helicopter simulation math model

NASA Technical Reports Server (NTRS)

Heffley, Robert K.; Mnich, Marc A.

1988-01-01

An example of a minimal complexity simulation helicopter math model is presented. Motivating factors are the computational delays, cost, and inflexibility of the very sophisticated math models now in common use. A helicopter model form is given which addresses each of these factors and provides better engineering understanding of the specific handling qualities features which are apparent to the simulator pilot. The technical approach begins with specification of features which are to be modeled, followed by a build up of individual vehicle components and definition of equations. Model matching and estimation procedures are given which enable the modeling of specific helicopters from basic data sources such as flight manuals. Checkout procedures are given which provide for total model validation. A number of possible model extensions and refinement are discussed. Math model computer programs are defined and listed.

Combining Statistics and Physics to Improve Climate Downscaling

NASA Astrophysics Data System (ADS)

Gutmann, E. D.; Eidhammer, T.; Arnold, J.; Nowak, K.; Clark, M. P.

2017-12-01

Getting useful information from climate models is an ongoing problem that has plagued climate science and hydrologic prediction for decades. While it is possible to develop statistical corrections for climate models that mimic current climate almost perfectly, this does not necessarily guarantee that future changes are portrayed correctly. In contrast, convection permitting regional climate models (RCMs) have begun to provide an excellent representation of the regional climate system purely from first principles, providing greater confidence in their change signal. However, the computational cost of such RCMs prohibits the generation of ensembles of simulations or long time periods, thus limiting their applicability for hydrologic applications. Here we discuss a new approach combining statistical corrections with physical relationships for a modest computational cost. We have developed the Intermediate Complexity Atmospheric Research model (ICAR) to provide a climate and weather downscaling option that is based primarily on physics for a fraction of the computational requirements of a traditional regional climate model. ICAR also enables the incorporation of statistical adjustments directly within the model. We demonstrate that applying even simple corrections to precipitation while the model is running can improve the simulation of land atmosphere feedbacks in ICAR. For example, by incorporating statistical corrections earlier in the modeling chain, we permit the model physics to better represent the effect of mountain snowpack on air temperature changes.

Computational Methods of Studying the Binding of Toxins From Venomous Animals to Biological Ion Channels: Theory and Applications

PubMed Central

Chen, Rong; Chung, Shin-Ho

2013-01-01

The discovery of new drugs that selectively block or modulate ion channels has great potential to provide new treatments for a host of conditions. One promising avenue revolves around modifying or mimicking certain naturally occurring ion channel modulator toxins. This strategy appears to offer the prospect of designing drugs that are both potent and specific. The use of computational modeling is crucial to this endeavor, as it has the potential to provide lower cost alternatives for exploring the effects of new compounds on ion channels. In addition, computational modeling can provide structural information and theoretical understanding that is not easily derivable from experimental results. In this review, we look at the theory and computational methods that are applicable to the study of ion channel modulators. The first section provides an introduction to various theoretical concepts, including force-fields and the statistical mechanics of binding. We then look at various computational techniques available to the researcher, including molecular dynamics, Brownian dynamics, and molecular docking systems. The latter section of the review explores applications of these techniques, concentrating on pore blocker and gating modifier toxins of potassium and sodium channels. After first discussing the structural features of these channels, and their modes of block, we provide an in-depth review of past computational work that has been carried out. Finally, we discuss prospects for future developments in the field. PMID:23589832

Using CO5BOLD models to predict the effects of granulation on colours .

NASA Astrophysics Data System (ADS)

Bonifacio, P.; Caffau, E.; Ludwig, H.-G.; Steffen, M.; Castelli, F.; Gallagher, A. J.; Prakapavičius, D.; Kučinskas, A.; Cayrel, R.; Freytag, B.; Plez, B.; Homeier, D.

In order to investigate the effects of granulation on fluxes and colours, we computed the emerging fluxes from the models in the CO5BOLD grid with metallicities [M/H]=0.0,-1.0,-2.0 and -3.0. These fluxes have been used to compute colours in different photometric systems. We explain here how our computations have been performed and provide some results.

EUROPLANET-RI modelling service for the planetary science community: European Modelling and Data Analysis Facility (EMDAF)

NASA Astrophysics Data System (ADS)

Khodachenko, Maxim; Miller, Steven; Stoeckler, Robert; Topf, Florian

2010-05-01

Computational modeling and observational data analysis are two major aspects of the modern scientific research. Both appear nowadays under extensive development and application. Many of the scientific goals of planetary space missions require robust models of planetary objects and environments as well as efficient data analysis algorithms, to predict conditions for mission planning and to interpret the experimental data. Europe has great strength in these areas, but it is insufficiently coordinated; individual groups, models, techniques and algorithms need to be coupled and integrated. Existing level of scientific cooperation and the technical capabilities for operative communication, allow considerable progress in the development of a distributed international Research Infrastructure (RI) which is based on the existing in Europe computational modelling and data analysis centers, providing the scientific community with dedicated services in the fields of their computational and data analysis expertise. These services will appear as a product of the collaborative communication and joint research efforts of the numerical and data analysis experts together with planetary scientists. The major goal of the EUROPLANET-RI / EMDAF is to make computational models and data analysis algorithms associated with particular national RIs and teams, as well as their outputs, more readily available to their potential user community and more tailored to scientific user requirements, without compromising front-line specialized research on model and data analysis algorithms development and software implementation. This objective will be met through four keys subdivisions/tasks of EMAF: 1) an Interactive Catalogue of Planetary Models; 2) a Distributed Planetary Modelling Laboratory; 3) a Distributed Data Analysis Laboratory, and 4) enabling Models and Routines for High Performance Computing Grids. Using the advantages of the coordinated operation and efficient communication between the involved computational modelling, research and data analysis expert teams and their related research infrastructures, EMDAF will provide a 1) flexible, 2) scientific user oriented, 3) continuously developing and fast upgrading computational and data analysis service to support and intensify the European planetary scientific research. At the beginning EMDAF will create a set of demonstrators and operational tests of this service in key areas of European planetary science. This work will aim at the following objectives: (a) Development and implementation of tools for distant interactive communication between the planetary scientists and computing experts (including related RIs); (b) Development of standard routine packages, and user-friendly interfaces for operation of the existing numerical codes and data analysis algorithms by the specialized planetary scientists; (c) Development of a prototype of numerical modelling services "on demand" for space missions and planetary researchers; (d) Development of a prototype of data analysis services "on demand" for space missions and planetary researchers; (e) Development of a prototype of coordinated interconnected simulations of planetary phenomena and objects (global multi-model simulators); (f) Providing the demonstrators of a coordinated use of high performance computing facilities (super-computer networks), done in cooperation with European HPC Grid DEISA.

Computational toxicology as implemented by the U.S. EPA: providing high throughput decision support tools for screening and assessing chemical exposure, hazard and risk.

PubMed

Kavlock, Robert; Dix, David

2010-02-01

Computational toxicology is the application of mathematical and computer models to help assess chemical hazards and risks to human health and the environment. Supported by advances in informatics, high-throughput screening (HTS) technologies, and systems biology, the U.S. Environmental Protection Agency EPA is developing robust and flexible computational tools that can be applied to the thousands of chemicals in commerce, and contaminant mixtures found in air, water, and hazardous-waste sites. The Office of Research and Development (ORD) Computational Toxicology Research Program (CTRP) is composed of three main elements. The largest component is the National Center for Computational Toxicology (NCCT), which was established in 2005 to coordinate research on chemical screening and prioritization, informatics, and systems modeling. The second element consists of related activities in the National Health and Environmental Effects Research Laboratory (NHEERL) and the National Exposure Research Laboratory (NERL). The third and final component consists of academic centers working on various aspects of computational toxicology and funded by the U.S. EPA Science to Achieve Results (STAR) program. Together these elements form the key components in the implementation of both the initial strategy, A Framework for a Computational Toxicology Research Program (U.S. EPA, 2003), and the newly released The U.S. Environmental Protection Agency's Strategic Plan for Evaluating the Toxicity of Chemicals (U.S. EPA, 2009a). Key intramural projects of the CTRP include digitizing legacy toxicity testing information toxicity reference database (ToxRefDB), predicting toxicity (ToxCast) and exposure (ExpoCast), and creating virtual liver (v-Liver) and virtual embryo (v-Embryo) systems models. U.S. EPA-funded STAR centers are also providing bioinformatics, computational toxicology data and models, and developmental toxicity data and models. The models and underlying data are being made publicly available through the Aggregated Computational Toxicology Resource (ACToR), the Distributed Structure-Searchable Toxicity (DSSTox) Database Network, and other U.S. EPA websites. While initially focused on improving the hazard identification process, the CTRP is placing increasing emphasis on using high-throughput bioactivity profiling data in systems modeling to support quantitative risk assessments, and in developing complementary higher throughput exposure models. This integrated approach will enable analysis of life-stage susceptibility, and understanding of the exposures, pathways, and key events by which chemicals exert their toxicity in developing systems (e.g., endocrine-related pathways). The CTRP will be a critical component in next-generation risk assessments utilizing quantitative high-throughput data and providing a much higher capacity for assessing chemical toxicity than is currently available.

Utility Computing: Reality and Beyond

NASA Astrophysics Data System (ADS)

Ivanov, Ivan I.

Utility Computing is not a new concept. It involves organizing and providing a wide range of computing-related services as public utilities. Much like water, gas, electricity and telecommunications, the concept of computing as public utility was announced in 1955. Utility Computing remained a concept for near 50 years. Now some models and forms of Utility Computing are emerging such as storage and server virtualization, grid computing, and automated provisioning. Recent trends in Utility Computing as a complex technology involve business procedures that could profoundly transform the nature of companies' IT services, organizational IT strategies and technology infrastructure, and business models. In the ultimate Utility Computing models, organizations will be able to acquire as much IT services as they need, whenever and wherever they need them. Based on networked businesses and new secure online applications, Utility Computing would facilitate "agility-integration" of IT resources and services within and between virtual companies. With the application of Utility Computing there could be concealment of the complexity of IT, reduction of operational expenses, and converting of IT costs to variable `on-demand' services. How far should technology, business and society go to adopt Utility Computing forms, modes and models?

Model based Computerized Ionospheric Tomography in space and time

NASA Astrophysics Data System (ADS)

Tuna, Hakan; Arikan, Orhan; Arikan, Feza

2018-04-01

Reconstruction of the ionospheric electron density distribution in space and time not only provide basis for better understanding the physical nature of the ionosphere, but also provide improvements in various applications including HF communication. Recently developed IONOLAB-CIT technique provides physically admissible 3D model of the ionosphere by using both Slant Total Electron Content (STEC) measurements obtained from a GPS satellite - receiver network and IRI-Plas model. IONOLAB-CIT technique optimizes IRI-Plas model parameters in the region of interest such that the synthetic STEC computations obtained from the IRI-Plas model are in accordance with the actual STEC measurements. In this work, the IONOLAB-CIT technique is extended to provide reconstructions both in space and time. This extension exploits the temporal continuity of the ionosphere to provide more reliable reconstructions with a reduced computational load. The proposed 4D-IONOLAB-CIT technique is validated on real measurement data obtained from TNPGN-Active GPS receiver network in Turkey.

Ionic mechanisms in peripheral pain.

PubMed

Fransén, Erik

2014-01-01

Chronic pain constitutes an important and growing problem in society with large unmet needs with respect to treatment and clear implications for quality of life. Computational modeling is used to complement experimental studies to elucidate mechanisms involved in pain states. Models representing the peripheral nerve ending often address questions related to sensitization or reduction in pain detection threshold. In models of the axon or the cell body of the unmyelinated C-fiber, a large body of work concerns the role of particular sodium channels and mutations of these. Furthermore, in central structures: spinal cord or higher structures, sensitization often refers not only to enhanced synaptic efficacy but also to elevated intrinsic neuronal excitability. One of the recent developments in computational neuroscience is the emergence of computational neuropharmacology. In this area, computational modeling is used to study mechanisms of pathology with the objective of finding the means of restoring healthy function. This research has received increased attention from the pharmaceutical industry as ion channels have gained increased interest as drug targets. Computational modeling has several advantages, notably the ability to provide mechanistic links between molecular and cellular levels on the one hand and functions at the systems level on the other hand. These characteristics make computational modeling an additional tool to be used in the process of selecting pharmaceutical targets. Furthermore, large-scale simulations can provide a framework to systematically study the effects of several interacting disease parameters or effects from combinations of drugs. © 2014 Elsevier Inc. All rights reserved.

Computer Facilitated Mathematical Methods in Chemical Engineering--Similarity Solution

ERIC Educational Resources Information Center

Subramanian, Venkat R.

2006-01-01

High-performance computers coupled with highly efficient numerical schemes and user-friendly software packages have helped instructors to teach numerical solutions and analysis of various nonlinear models more efficiently in the classroom. One of the main objectives of a model is to provide insight about the system of interest. Analytical…

Modelling rollover behaviour of exacavator-based forest machines

Treesearch

M.W. Veal; S.E. Taylor; Robert B. Rummer

2003-01-01

This poster presentation provides results from analytical and computer simulation models of rollover behaviour of hydraulic excavators. These results are being used as input to the operator protective structure standards development process. Results from rigid body mechanics and computer simulation methods agree well with field rollover test data. These results show...

Integrating Cloud-Computing-Specific Model into Aircraft Design

NASA Astrophysics Data System (ADS)

Zhimin, Tian; Qi, Lin; Guangwen, Yang

Cloud Computing is becoming increasingly relevant, as it will enable companies involved in spreading this technology to open the door to Web 3.0. In the paper, the new categories of services introduced will slowly replace many types of computational resources currently used. In this perspective, grid computing, the basic element for the large scale supply of cloud services, will play a fundamental role in defining how those services will be provided. The paper tries to integrate cloud computing specific model into aircraft design. This work has acquired good results in sharing licenses of large scale and expensive software, such as CFD (Computational Fluid Dynamics), UG, CATIA, and so on.

Models and techniques for evaluating the effectiveness of aircraft computing systems

NASA Technical Reports Server (NTRS)

Meyer, J. F.

1982-01-01

Models, measures, and techniques for evaluating the effectiveness of aircraft computing systems were developed. By "effectiveness" in this context we mean the extent to which the user, i.e., a commercial air carrier, may expect to benefit from the computational tasks accomplished by a computing system in the environment of an advanced commercial aircraft. Thus, the concept of effectiveness involves aspects of system performance, reliability, and worth (value, benefit) which are appropriately integrated in the process of evaluating system effectiveness. Specifically, the primary objectives are: the development of system models that provide a basis for the formulation and evaluation of aircraft computer system effectiveness, the formulation of quantitative measures of system effectiveness, and the development of analytic and simulation techniques for evaluating the effectiveness of a proposed or existing aircraft computer.

The Helicopter Antenna Radiation Prediction Code (HARP)

NASA Technical Reports Server (NTRS)

Klevenow, F. T.; Lynch, B. G.; Newman, E. H.; Rojas, R. G.; Scheick, J. T.; Shamansky, H. T.; Sze, K. Y.

1990-01-01

The first nine months effort in the development of a user oriented computer code, referred to as the HARP code, for analyzing the radiation from helicopter antennas is described. The HARP code uses modern computer graphics to aid in the description and display of the helicopter geometry. At low frequencies the helicopter is modeled by polygonal plates, and the method of moments is used to compute the desired patterns. At high frequencies the helicopter is modeled by a composite ellipsoid and flat plates, and computations are made using the geometrical theory of diffraction. The HARP code will provide a user friendly interface, employing modern computer graphics, to aid the user to describe the helicopter geometry, select the method of computation, construct the desired high or low frequency model, and display the results.

The Canadian Hydrological Model (CHM): A multi-scale, variable-complexity hydrological model for cold regions

NASA Astrophysics Data System (ADS)

Marsh, C.; Pomeroy, J. W.; Wheater, H. S.

2016-12-01

There is a need for hydrological land surface schemes that can link to atmospheric models, provide hydrological prediction at multiple scales and guide the development of multiple objective water predictive systems. Distributed raster-based models suffer from an overrepresentation of topography, leading to wasted computational effort that increases uncertainty due to greater numbers of parameters and initial conditions. The Canadian Hydrological Model (CHM) is a modular, multiphysics, spatially distributed modelling framework designed for representing hydrological processes, including those that operate in cold-regions. Unstructured meshes permit variable spatial resolution, allowing coarse resolutions at low spatial variability and fine resolutions as required. Model uncertainty is reduced by lessening the necessary computational elements relative to high-resolution rasters. CHM uses a novel multi-objective approach for unstructured triangular mesh generation that fulfills hydrologically important constraints (e.g., basin boundaries, water bodies, soil classification, land cover, elevation, and slope/aspect). This provides an efficient spatial representation of parameters and initial conditions, as well as well-formed and well-graded triangles that are suitable for numerical discretization. CHM uses high-quality open source libraries and high performance computing paradigms to provide a framework that allows for integrating current state-of-the-art process algorithms. The impact of changes to model structure, including individual algorithms, parameters, initial conditions, driving meteorology, and spatial/temporal discretization can be easily tested. Initial testing of CHM compared spatial scales and model complexity for a spring melt period at a sub-arctic mountain basin. The meshing algorithm reduced the total number of computational elements and preserved the spatial heterogeneity of predictions.

ADVANCED COMPUTATIONAL METHODS IN DOSE MODELING

EPA Science Inventory

The overall goal of the EPA-ORD NERL research program on Computational Toxicology (CompTox) is to provide the Agency with the tools of modern chemistry, biology, and computing to improve quantitative risk assessments and reduce uncertainties in the source-to-adverse outcome conti...

Analyzing C2 Structures and Self-Synchronization with Simple Computational Models

DTIC Science & Technology

2011-06-01

16th ICCRTS “Collective C2 in Multinational Civil-Military Operations” Analyzing C2 Structures and Self- Synchronization with Simple...Self- Synchronization with Simple Computational Models 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S) 5d. PROJECT...models. The Kuramoto Model, though with some serious limitations, provides a representation of information flow and self- synchronization in an

Bringing computational models of bone regeneration to the clinic.

PubMed

Carlier, Aurélie; Geris, Liesbet; Lammens, Johan; Van Oosterwyck, Hans

2015-01-01

Although the field of bone regeneration has experienced great advancements in the last decades, integrating all the relevant, patient-specific information into a personalized diagnosis and optimal treatment remains a challenging task due to the large number of variables that affect bone regeneration. Computational models have the potential to cope with this complexity and to improve the fundamental understanding of the bone regeneration processes as well as to predict and optimize the patient-specific treatment strategies. However, the current use of computational models in daily orthopedic practice is very limited or inexistent. We have identified three key hurdles that limit the translation of computational models of bone regeneration from bench to bed side. First, there exists a clear mismatch between the scope of the existing and the clinically required models. Second, most computational models are confronted with limited quantitative information of insufficient quality thereby hampering the determination of patient-specific parameter values. Third, current computational models are only corroborated with animal models, whereas a thorough (retrospective and prospective) assessment of the computational model will be crucial to convince the health care providers of the capabilities thereof. These challenges must be addressed so that computational models of bone regeneration can reach their true potential, resulting in the advancement of individualized care and reduction of the associated health care costs. © 2015 Wiley Periodicals, Inc.

STEP and STEPSPL: Computer programs for aerodynamic model structure determination and parameter estimation

NASA Technical Reports Server (NTRS)

Batterson, J. G.

1986-01-01

The successful parametric modeling of the aerodynamics for an airplane operating at high angles of attack or sideslip is performed in two phases. First the aerodynamic model structure must be determined and second the associated aerodynamic parameters (stability and control derivatives) must be estimated for that model. The purpose of this paper is to document two versions of a stepwise regression computer program which were developed for the determination of airplane aerodynamic model structure and to provide two examples of their use on computer generated data. References are provided for the application of the programs to real flight data. The two computer programs that are the subject of this report, STEP and STEPSPL, are written in FORTRAN IV (ANSI l966) compatible with a CDC FTN4 compiler. Both programs are adaptations of a standard forward stepwise regression algorithm. The purpose of the adaptation is to facilitate the selection of a adequate mathematical model of the aerodynamic force and moment coefficients of an airplane from flight test data. The major difference between STEP and STEPSPL is in the basis for the model. The basis for the model in STEP is the standard polynomial Taylor's series expansion of the aerodynamic function about some steady-state trim condition. Program STEPSPL utilizes a set of spline basis functions.

Interactions of spatial strategies producing generalization gradient and blocking: A computational approach

PubMed Central

Dollé, Laurent; Chavarriaga, Ricardo

2018-01-01

We present a computational model of spatial navigation comprising different learning mechanisms in mammals, i.e., associative, cognitive mapping and parallel systems. This model is able to reproduce a large number of experimental results in different variants of the Morris water maze task, including standard associative phenomena (spatial generalization gradient and blocking), as well as navigation based on cognitive mapping. Furthermore, we show that competitive and cooperative patterns between different navigation strategies in the model allow to explain previous apparently contradictory results supporting either associative or cognitive mechanisms for spatial learning. The key computational mechanism to reconcile experimental results showing different influences of distal and proximal cues on the behavior, different learning times, and different abilities of individuals to alternatively perform spatial and response strategies, relies in the dynamic coordination of navigation strategies, whose performance is evaluated online with a common currency through a modular approach. We provide a set of concrete experimental predictions to further test the computational model. Overall, this computational work sheds new light on inter-individual differences in navigation learning, and provides a formal and mechanistic approach to test various theories of spatial cognition in mammals. PMID:29630600

Impact of computational structure-based methods on drug discovery.

PubMed

Reynolds, Charles H

2014-01-01

Structure-based drug design has become an indispensible tool in drug discovery. The emergence of structure-based design is due to gains in structural biology that have provided exponential growth in the number of protein crystal structures, new computational algorithms and approaches for modeling protein-ligand interactions, and the tremendous growth of raw computer power in the last 30 years. Computer modeling and simulation have made major contributions to the discovery of many groundbreaking drugs in recent years. Examples are presented that highlight the evolution of computational structure-based design methodology, and the impact of that methodology on drug discovery.

Computational mechanics - Advances and trends; Proceedings of the Session - Future directions of Computational Mechanics of the ASME Winter Annual Meeting, Anaheim, CA, Dec. 7-12, 1986

NASA Technical Reports Server (NTRS)

Noor, Ahmed K. (Editor)

1986-01-01

The papers contained in this volume provide an overview of the advances made in a number of aspects of computational mechanics, identify some of the anticipated industry needs in this area, discuss the opportunities provided by new hardware and parallel algorithms, and outline some of the current government programs in computational mechanics. Papers are included on advances and trends in parallel algorithms, supercomputers for engineering analysis, material modeling in nonlinear finite-element analysis, the Navier-Stokes computer, and future finite-element software systems.

Assessing the Integration of Computational Modeling and ASU Modeling Instruction in the High School Physics Classroom

NASA Astrophysics Data System (ADS)

Aiken, John; Schatz, Michael; Burk, John; Caballero, Marcos; Thoms, Brian

2012-03-01

We describe the assessment of computational modeling in a ninth grade classroom in the context of the Arizona Modeling Instruction physics curriculum. Using a high-level programming environment (VPython), students develop computational models to predict the motion of objects under a variety of physical situations (e.g., constant net force), to simulate real world phenomenon (e.g., car crash), and to visualize abstract quantities (e.g., acceleration). The impact of teaching computation is evaluated through a proctored assignment that asks the students to complete a provided program to represent the correct motion. Using questions isomorphic to the Force Concept Inventory we gauge students understanding of force in relation to the simulation. The students are given an open ended essay question that asks them to explain the steps they would use to model a physical situation. We also investigate the attitudes and prior experiences of each student using the Computation Modeling in Physics Attitudinal Student Survey (COMPASS) developed at Georgia Tech as well as a prior computational experiences survey.

SAMICS Validation. SAMICS Support Study, Phase 3

NASA Technical Reports Server (NTRS)

1979-01-01

SAMICS provides a consistent basis for estimating array costs and compares production technology costs. A review and a validation of the SAMICS model are reported. The review had the following purposes: (1) to test the computational validity of the computer model by comparison with preliminary hand calculations based on conventional cost estimating techniques; (2) to review and improve the accuracy of the cost relationships being used by the model: and (3) to provide an independent verification to users of the model's value in decision making for allocation of research and developement funds and for investment in manufacturing capacity. It is concluded that the SAMICS model is a flexible, accurate, and useful tool for managerial decision making.

A 4-cylinder Stirling engine computer program with dynamic energy equations

NASA Technical Reports Server (NTRS)

Daniele, C. J.; Lorenzo, C. F.

1983-01-01

A computer program for simulating the steady state and transient performance of a four cylinder Stirling engine is presented. The thermodynamic model includes both continuity and energy equations and linear momentum terms (flow resistance). Each working space between the pistons is broken into seven control volumes. Drive dynamics and vehicle load effects are included. The model contains 70 state variables. Also included in the model are piston rod seal leakage effects. The computer program includes a model of a hydrogen supply system, from which hydrogen may be added to the system to accelerate the engine. Flow charts are provided.

Damsel: A Data Model Storage Library for Exascale Science

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

Koziol, Quincey

The goal of this project is to enable exascale computational science applications to interact conveniently and efficiently with storage through abstractions that match their data models. We will accomplish this through three major activities: (1) identifying major data model motifs in computational science applications and developing representative benchmarks; (2) developing a data model storage library, called Damsel, that supports these motifs, provides efficient storage data layouts, incorporates optimizations to enable exascale operation, and is tolerant to failures; and (3) productizing Damsel and working with computational scientists to encourage adoption of this library by the scientific community.

Data flow modeling techniques

NASA Technical Reports Server (NTRS)

Kavi, K. M.

1984-01-01

There have been a number of simulation packages developed for the purpose of designing, testing and validating computer systems, digital systems and software systems. Complex analytical tools based on Markov and semi-Markov processes have been designed to estimate the reliability and performance of simulated systems. Petri nets have received wide acceptance for modeling complex and highly parallel computers. In this research data flow models for computer systems are investigated. Data flow models can be used to simulate both software and hardware in a uniform manner. Data flow simulation techniques provide the computer systems designer with a CAD environment which enables highly parallel complex systems to be defined, evaluated at all levels and finally implemented in either hardware or software. Inherent in data flow concept is the hierarchical handling of complex systems. In this paper we will describe how data flow can be used to model computer system.

Computational modelling of cellular level metabolism

NASA Astrophysics Data System (ADS)

Calvetti, D.; Heino, J.; Somersalo, E.

2008-07-01

The steady and stationary state inverse problems consist of estimating the reaction and transport fluxes, blood concentrations and possibly the rates of change of some of the concentrations based on data which are often scarce noisy and sampled over a population. The Bayesian framework provides a natural setting for the solution of this inverse problem, because a priori knowledge about the system itself and the unknown reaction fluxes and transport rates can compensate for the insufficiency of measured data, provided that the computational costs do not become prohibitive. This article identifies the computational challenges which have to be met when analyzing the steady and stationary states of multicompartment model for cellular metabolism and suggest stable and efficient ways to handle the computations. The outline of a computational tool based on the Bayesian paradigm for the simulation and analysis of complex cellular metabolic systems is also presented.

Creation of Anatomically Accurate Computer-Aided Design (CAD) Solid Models from Medical Images

NASA Technical Reports Server (NTRS)

Stewart, John E.; Graham, R. Scott; Samareh, Jamshid A.; Oberlander, Eric J.; Broaddus, William C.

1999-01-01

Most surgical instrumentation and implants used in the world today are designed with sophisticated Computer-Aided Design (CAD)/Computer-Aided Manufacturing (CAM) software. This software automates the mechanical development of a product from its conceptual design through manufacturing. CAD software also provides a means of manipulating solid models prior to Finite Element Modeling (FEM). Few surgical products are designed in conjunction with accurate CAD models of human anatomy because of the difficulty with which these models are created. We have developed a novel technique that creates anatomically accurate, patient specific CAD solids from medical images in a matter of minutes.

Cloud-based simulations on Google Exacycle reveal ligand modulation of GPCR activation pathways

NASA Astrophysics Data System (ADS)

Kohlhoff, Kai J.; Shukla, Diwakar; Lawrenz, Morgan; Bowman, Gregory R.; Konerding, David E.; Belov, Dan; Altman, Russ B.; Pande, Vijay S.

2014-01-01

Simulations can provide tremendous insight into the atomistic details of biological mechanisms, but micro- to millisecond timescales are historically only accessible on dedicated supercomputers. We demonstrate that cloud computing is a viable alternative that brings long-timescale processes within reach of a broader community. We used Google's Exacycle cloud-computing platform to simulate two milliseconds of dynamics of a major drug target, the G-protein-coupled receptor β2AR. Markov state models aggregate independent simulations into a single statistical model that is validated by previous computational and experimental results. Moreover, our models provide an atomistic description of the activation of a G-protein-coupled receptor and reveal multiple activation pathways. Agonists and inverse agonists interact differentially with these pathways, with profound implications for drug design.

Role of Statistical Random-Effects Linear Models in Personalized Medicine

PubMed Central

Diaz, Francisco J; Yeh, Hung-Wen; de Leon, Jose

2012-01-01

Some empirical studies and recent developments in pharmacokinetic theory suggest that statistical random-effects linear models are valuable tools that allow describing simultaneously patient populations as a whole and patients as individuals. This remarkable characteristic indicates that these models may be useful in the development of personalized medicine, which aims at finding treatment regimes that are appropriate for particular patients, not just appropriate for the average patient. In fact, published developments show that random-effects linear models may provide a solid theoretical framework for drug dosage individualization in chronic diseases. In particular, individualized dosages computed with these models by means of an empirical Bayesian approach may produce better results than dosages computed with some methods routinely used in therapeutic drug monitoring. This is further supported by published empirical and theoretical findings that show that random effects linear models may provide accurate representations of phase III and IV steady-state pharmacokinetic data, and may be useful for dosage computations. These models have applications in the design of clinical algorithms for drug dosage individualization in chronic diseases; in the computation of dose correction factors; computation of the minimum number of blood samples from a patient that are necessary for calculating an optimal individualized drug dosage in therapeutic drug monitoring; measure of the clinical importance of clinical, demographic, environmental or genetic covariates; study of drug-drug interactions in clinical settings; the implementation of computational tools for web-site-based evidence farming; design of pharmacogenomic studies; and in the development of a pharmacological theory of dosage individualization. PMID:23467392

Plans and Example Results for the 2nd AIAA Aeroelastic Prediction Workshop

NASA Technical Reports Server (NTRS)

Heeg, Jennifer; Chwalowski, Pawel; Schuster, David M.; Raveh, Daniella; Jirasek, Adam; Dalenbring, Mats

2015-01-01

This paper summarizes the plans for the second AIAA Aeroelastic Prediction Workshop. The workshop is designed to assess the state-of-the-art of computational methods for predicting unsteady flow fields and aeroelastic response. The goals are to provide an impartial forum to evaluate the effectiveness of existing computer codes and modeling techniques, and to identify computational and experimental areas needing additional research and development. This paper provides guidelines and instructions for participants including the computational aerodynamic model, the structural dynamic properties, the experimental comparison data and the expected output data from simulations. The Benchmark Supercritical Wing (BSCW) has been chosen as the configuration for this workshop. The analyses to be performed will include aeroelastic flutter solutions of the wing mounted on a pitch-and-plunge apparatus.

Computer program for a four-cylinder-Stirling-engine controls simulation

NASA Technical Reports Server (NTRS)

Daniels, C. J.; Lorenzo, C. F.

1982-01-01

A four cylinder Stirling engine, transient engine simulation computer program is presented. The program is intended for controls analysis. The associated engine model was simplified to shorten computer calculation time. The model includes engine mechanical drive dynamics and vehicle load effects. The computer program also includes subroutines that allow: (1) acceleration of the engine by addition of hydrogen to the system, and (2) braking of the engine by short circuiting of the working spaces. Subroutines to calculate degraded engine performance (e.g., due to piston ring and piston rod leakage) are provided. Input data required to run the program are described and flow charts are provided. The program is modular to allow easy modification of individual routines. Examples of steady state and transient results are presented.

Computer simulation: A modern day crystal ball?

NASA Technical Reports Server (NTRS)

Sham, Michael; Siprelle, Andrew

1994-01-01

It has long been the desire of managers to be able to look into the future and predict the outcome of decisions. With the advent of computer simulation and the tremendous capability provided by personal computers, that desire can now be realized. This paper presents an overview of computer simulation and modeling, and discusses the capabilities of Extend. Extend is an iconic-driven Macintosh-based software tool that brings the power of simulation to the average computer user. An example of an Extend based model is presented in the form of the Space Transportation System (STS) Processing Model. The STS Processing Model produces eight shuttle launches per year, yet it takes only about ten minutes to run. In addition, statistical data such as facility utilization, wait times, and processing bottlenecks are produced. The addition or deletion of resources, such as orbiters or facilities, can be easily modeled and their impact analyzed. Through the use of computer simulation, it is possible to look into the future to see the impact of today's decisions.

A simple computational algorithm of model-based choice preference.

PubMed

Toyama, Asako; Katahira, Kentaro; Ohira, Hideki

2017-08-01

A broadly used computational framework posits that two learning systems operate in parallel during the learning of choice preferences-namely, the model-free and model-based reinforcement-learning systems. In this study, we examined another possibility, through which model-free learning is the basic system and model-based information is its modulator. Accordingly, we proposed several modified versions of a temporal-difference learning model to explain the choice-learning process. Using the two-stage decision task developed by Daw, Gershman, Seymour, Dayan, and Dolan (2011), we compared their original computational model, which assumes a parallel learning process, and our proposed models, which assume a sequential learning process. Choice data from 23 participants showed a better fit with the proposed models. More specifically, the proposed eligibility adjustment model, which assumes that the environmental model can weight the degree of the eligibility trace, can explain choices better under both model-free and model-based controls and has a simpler computational algorithm than the original model. In addition, the forgetting learning model and its variation, which assume changes in the values of unchosen actions, substantially improved the fits to the data. Overall, we show that a hybrid computational model best fits the data. The parameters used in this model succeed in capturing individual tendencies with respect to both model use in learning and exploration behavior. This computational model provides novel insights into learning with interacting model-free and model-based components.

Computational techniques to enable visualizing shapes of objects of extra spatial dimensions

NASA Astrophysics Data System (ADS)

Black, Don Vaughn, II

Envisioning extra dimensions beyond the three of common experience is a daunting challenge for three dimensional observers. Intuition relies on experience gained in a three dimensional environment. Gaining experience with virtual four dimensional objects and virtual three manifolds in four-space on a personal computer may provide the basis for an intuitive grasp of four dimensions. In order to enable such a capability for ourselves, it is first necessary to devise and implement a computationally tractable method to visualize, explore, and manipulate objects of dimension beyond three on the personal computer. A technology is described in this dissertation to convert a representation of higher dimensional models into a format that may be displayed in realtime on graphics cards available on many off-the-shelf personal computers. As a result, an opportunity has been created to experience the shape of four dimensional objects on the desktop computer. The ultimate goal has been to provide the user a tangible and memorable experience with mathematical models of four dimensional objects such that the user can see the model from any user selected vantage point. By use of a 4D GUI, an arbitrary convex hull or 3D silhouette of the 4D model can be rotated, panned, scrolled, and zoomed until a suitable dimensionally reduced view or Aspect is obtained. The 4D GUI then allows the user to manipulate a 3-flat hyperplane cutting tool to slice the model at an arbitrary orientation and position to extract or "pluck" an embedded 3D slice or "aspect" from the embedding four-space. This plucked 3D aspect can be viewed from all angles via a conventional 3D viewer using three multiple POV viewports, and optionally exported to a third party CAD viewer for further manipulation. Plucking and Manipulating the Aspect provides a tangible experience for the end-user in the same manner as any 3D Computer Aided Design viewing and manipulation tool does for the engineer or a 3D video game provides for the nascent student.

Launch Site Computer Simulation and its Application to Processes

NASA Technical Reports Server (NTRS)

Sham, Michael D.

1995-01-01

This paper provides an overview of computer simulation, the Lockheed developed STS Processing Model, and the application of computer simulation to a wide range of processes. The STS Processing Model is an icon driven model that uses commercial off the shelf software and a Macintosh personal computer. While it usually takes one year to process and launch 8 space shuttles, with the STS Processing Model this process is computer simulated in about 5 minutes. Facilities, orbiters, or ground support equipment can be added or deleted and the impact on launch rate, facility utilization, or other factors measured as desired. This same computer simulation technology can be used to simulate manufacturing, engineering, commercial, or business processes. The technology does not require an 'army' of software engineers to develop and operate, but instead can be used by the layman with only a minimal amount of training. Instead of making changes to a process and realizing the results after the fact, with computer simulation, changes can be made and processes perfected before they are implemented.

Higher-order ice-sheet modelling accelerated by multigrid on graphics cards

NASA Astrophysics Data System (ADS)

Brædstrup, Christian; Egholm, David

2013-04-01

Higher-order ice flow modelling is a very computer intensive process owing primarily to the nonlinear influence of the horizontal stress coupling. When applied for simulating long-term glacial landscape evolution, the ice-sheet models must consider very long time series, while both high temporal and spatial resolution is needed to resolve small effects. The use of higher-order and full stokes models have therefore seen very limited usage in this field. However, recent advances in graphics card (GPU) technology for high performance computing have proven extremely efficient in accelerating many large-scale scientific computations. The general purpose GPU (GPGPU) technology is cheap, has a low power consumption and fits into a normal desktop computer. It could therefore provide a powerful tool for many glaciologists working on ice flow models. Our current research focuses on utilising the GPU as a tool in ice-sheet and glacier modelling. To this extent we have implemented the Integrated Second-Order Shallow Ice Approximation (iSOSIA) equations on the device using the finite difference method. To accelerate the computations, the GPU solver uses a non-linear Red-Black Gauss-Seidel iterator coupled with a Full Approximation Scheme (FAS) multigrid setup to further aid convergence. The GPU finite difference implementation provides the inherent parallelization that scales from hundreds to several thousands of cores on newer cards. We demonstrate the efficiency of the GPU multigrid solver using benchmark experiments.

Computer News

ERIC Educational Resources Information Center

Science Activities: Classroom Projects and Curriculum Ideas, 2007

2007-01-01

This article presents several news stories about computers and technology. (1) Applied Science Associates of Narragansett, Rhode Island is providing computer modeling technology to help locate the remains to the USS Bonhomme Richard, which sank in 1779 after claiming a Revolutionary War victory. (2) Whyville, the leading edu-tainment virtual world…

Reduced order surrogate modelling (ROSM) of high dimensional deterministic simulations

NASA Astrophysics Data System (ADS)

Mitry, Mina

Often, computationally expensive engineering simulations can prohibit the engineering design process. As a result, designers may turn to a less computationally demanding approximate, or surrogate, model to facilitate their design process. However, owing to the the curse of dimensionality, classical surrogate models become too computationally expensive for high dimensional data. To address this limitation of classical methods, we develop linear and non-linear Reduced Order Surrogate Modelling (ROSM) techniques. Two algorithms are presented, which are based on a combination of linear/kernel principal component analysis and radial basis functions. These algorithms are applied to subsonic and transonic aerodynamic data, as well as a model for a chemical spill in a channel. The results of this thesis show that ROSM can provide a significant computational benefit over classical surrogate modelling, sometimes at the expense of a minor loss in accuracy.

Computational models for the nonlinear analysis of reinforced concrete plates

NASA Technical Reports Server (NTRS)

Hinton, E.; Rahman, H. H. A.; Huq, M. M.

1980-01-01

A finite element computational model for the nonlinear analysis of reinforced concrete solid, stiffened and cellular plates is briefly outlined. Typically, Mindlin elements are used to model the plates whereas eccentric Timoshenko elements are adopted to represent the beams. The layering technique, common in the analysis of reinforced concrete flexural systems, is incorporated in the model. The proposed model provides an inexpensive and reasonably accurate approach which can be extended for use with voided plates.

Development of computational small animal models and their applications in preclinical imaging and therapy research.

PubMed

Xie, Tianwu; Zaidi, Habib

2016-01-01

The development of multimodality preclinical imaging techniques and the rapid growth of realistic computer simulation tools have promoted the construction and application of computational laboratory animal models in preclinical research. Since the early 1990s, over 120 realistic computational animal models have been reported in the literature and used as surrogates to characterize the anatomy of actual animals for the simulation of preclinical studies involving the use of bioluminescence tomography, fluorescence molecular tomography, positron emission tomography, single-photon emission computed tomography, microcomputed tomography, magnetic resonance imaging, and optical imaging. Other applications include electromagnetic field simulation, ionizing and nonionizing radiation dosimetry, and the development and evaluation of new methodologies for multimodality image coregistration, segmentation, and reconstruction of small animal images. This paper provides a comprehensive review of the history and fundamental technologies used for the development of computational small animal models with a particular focus on their application in preclinical imaging as well as nonionizing and ionizing radiation dosimetry calculations. An overview of the overall process involved in the design of these models, including the fundamental elements used for the construction of different types of computational models, the identification of original anatomical data, the simulation tools used for solving various computational problems, and the applications of computational animal models in preclinical research. The authors also analyze the characteristics of categories of computational models (stylized, voxel-based, and boundary representation) and discuss the technical challenges faced at the present time as well as research needs in the future.

Computational modeling in melanoma for novel drug discovery.

PubMed

Pennisi, Marzio; Russo, Giulia; Di Salvatore, Valentina; Candido, Saverio; Libra, Massimo; Pappalardo, Francesco

2016-06-01

There is a growing body of evidence highlighting the applications of computational modeling in the field of biomedicine. It has recently been applied to the in silico analysis of cancer dynamics. In the era of precision medicine, this analysis may allow the discovery of new molecular targets useful for the design of novel therapies and for overcoming resistance to anticancer drugs. According to its molecular behavior, melanoma represents an interesting tumor model in which computational modeling can be applied. Melanoma is an aggressive tumor of the skin with a poor prognosis for patients with advanced disease as it is resistant to current therapeutic approaches. This review discusses the basics of computational modeling in melanoma drug discovery and development. Discussion includes the in silico discovery of novel molecular drug targets, the optimization of immunotherapies and personalized medicine trials. Mathematical and computational models are gradually being used to help understand biomedical data produced by high-throughput analysis. The use of advanced computer models allowing the simulation of complex biological processes provides hypotheses and supports experimental design. The research in fighting aggressive cancers, such as melanoma, is making great strides. Computational models represent the key component to complement these efforts. Due to the combinatorial complexity of new drug discovery, a systematic approach based only on experimentation is not possible. Computational and mathematical models are necessary for bringing cancer drug discovery into the era of omics, big data and personalized medicine.

FFT-local gravimetric geoid computation

NASA Technical Reports Server (NTRS)

Nagy, Dezso; Fury, Rudolf J.

1989-01-01

Model computations show that changes of sampling interval introduce only 0.3 cm changes, whereas zero padding provides an improvement of more than 5 cm in the fast Fourier transformation (FFT) generated geoid. For the Global Positioning System (GPS) survey of Franklin County, Ohio, the parameters selected as a result of model computations, allow large reduction in local data requirements while still retaining the cm accuracy when tapering and padding is applied. The results are shown in tables.

Automated inverse computer modeling of borehole flow data in heterogeneous aquifers

NASA Astrophysics Data System (ADS)

Sawdey, J. R.; Reeve, A. S.

2012-09-01

A computer model has been developed to simulate borehole flow in heterogeneous aquifers where the vertical distribution of permeability may vary significantly. In crystalline fractured aquifers, flow into or out of a borehole occurs at discrete locations of fracture intersection. Under these circumstances, flow simulations are defined by independent variables of transmissivity and far-field heads for each flow contributing fracture intersecting the borehole. The computer program, ADUCK (A Downhole Underwater Computational Kit), was developed to automatically calibrate model simulations to collected flowmeter data providing an inverse solution to fracture transmissivity and far-field head. ADUCK has been tested in variable borehole flow scenarios, and converges to reasonable solutions in each scenario. The computer program has been created using open-source software to make the ADUCK model widely available to anyone who could benefit from its utility.

Beyond standard model calculations with Sherpa

DOE PAGES

Höche, Stefan; Kuttimalai, Silvan; Schumann, Steffen; ...

2015-03-24

We present a fully automated framework as part of the Sherpa event generator for the computation of tree-level cross sections in beyond Standard Model scenarios, making use of model information given in the Universal FeynRules Output format. Elementary vertices are implemented into C++ code automatically and provided to the matrix-element generator Comix at runtime. Widths and branching ratios for unstable particles are computed from the same building blocks. The corresponding decays are simulated with spin correlations. Parton showers, QED radiation and hadronization are added by Sherpa, providing a full simulation of arbitrary BSM processes at the hadron level.

Beyond standard model calculations with Sherpa.

PubMed

Höche, Stefan; Kuttimalai, Silvan; Schumann, Steffen; Siegert, Frank

We present a fully automated framework as part of the Sherpa event generator for the computation of tree-level cross sections in Beyond Standard Model scenarios, making use of model information given in the Universal FeynRules Output format. Elementary vertices are implemented into C++ code automatically and provided to the matrix-element generator Comix at runtime. Widths and branching ratios for unstable particles are computed from the same building blocks. The corresponding decays are simulated with spin correlations. Parton showers, QED radiation and hadronization are added by Sherpa, providing a full simulation of arbitrary BSM processes at the hadron level.

Model description document for a computer program for the emulation/simulation of a space station environmental control and life support system (ESCM)

NASA Technical Reports Server (NTRS)

Yanosy, James L.

1988-01-01

Emulation/Simulation Computer Model (ESCM) computes the transient performance of a Space Station air revitalization subsystem with carbon dioxide removal provided by a solid amine water desorbed subsystem called SAWD. This manual describes the mathematical modeling and equations used in the ESCM. For the system as a whole and for each individual component, the fundamental physical and chemical laws which govern their operations are presented. Assumptions are stated, and when necessary, data is presented to support empirically developed relationships.

Unstructured mesh adaptivity for urban flooding modelling

NASA Astrophysics Data System (ADS)

Hu, R.; Fang, F.; Salinas, P.; Pain, C. C.

2018-05-01

Over the past few decades, urban floods have been gaining more attention due to their increase in frequency. To provide reliable flooding predictions in urban areas, various numerical models have been developed to perform high-resolution flood simulations. However, the use of high-resolution meshes across the whole computational domain causes a high computational burden. In this paper, a 2D control-volume and finite-element flood model using adaptive unstructured mesh technology has been developed. This adaptive unstructured mesh technique enables meshes to be adapted optimally in time and space in response to the evolving flow features, thus providing sufficient mesh resolution where and when it is required. It has the advantage of capturing the details of local flows and wetting and drying front while reducing the computational cost. Complex topographic features are represented accurately during the flooding process. For example, the high-resolution meshes around the buildings and steep regions are placed when the flooding water reaches these regions. In this work a flooding event that happened in 2002 in Glasgow, Scotland, United Kingdom has been simulated to demonstrate the capability of the adaptive unstructured mesh flooding model. The simulations have been performed using both fixed and adaptive unstructured meshes, and then results have been compared with those published 2D and 3D results. The presented method shows that the 2D adaptive mesh model provides accurate results while having a low computational cost.

Evolution of the cerebellum as a neuronal machine for Bayesian state estimation

NASA Astrophysics Data System (ADS)

Paulin, M. G.

2005-09-01

The cerebellum evolved in association with the electric sense and vestibular sense of the earliest vertebrates. Accurate information provided by these sensory systems would have been essential for precise control of orienting behavior in predation. A simple model shows that individual spikes in electrosensory primary afferent neurons can be interpreted as measurements of prey location. Using this result, I construct a computational neural model in which the spatial distribution of spikes in a secondary electrosensory map forms a Monte Carlo approximation to the Bayesian posterior distribution of prey locations given the sense data. The neural circuit that emerges naturally to perform this task resembles the cerebellar-like hindbrain electrosensory filtering circuitry of sharks and other electrosensory vertebrates. The optimal filtering mechanism can be extended to handle dynamical targets observed from a dynamical platform; that is, to construct an optimal dynamical state estimator using spiking neurons. This may provide a generic model of cerebellar computation. Vertebrate motion-sensing neurons have specific fractional-order dynamical characteristics that allow Bayesian state estimators to be implemented elegantly and efficiently, using simple operations with asynchronous pulses, i.e. spikes. The computational neural models described in this paper represent a novel kind of particle filter, using spikes as particles. The models are specific and make testable predictions about computational mechanisms in cerebellar circuitry, while providing a plausible explanation of cerebellar contributions to aspects of motor control, perception and cognition.

Atmospheric transmission computer program CP

NASA Technical Reports Server (NTRS)

Pitts, D. E.; Barnett, T. L.; Korb, C. L.; Hanby, W.; Dillinger, A. E.

1974-01-01

A computer program is described which allows for calculation of the effects of carbon dioxide, water vapor, methane, ozone, carbon monoxide, and nitrous oxide on earth resources remote sensing techniques. A flow chart of the program and operating instructions are provided. Comparisons are made between the atmospheric transmission obtained from laboratory and spacecraft spectrometer data and that obtained from a computer prediction using a model atmosphere and radiosonde data. Limitations of the model atmosphere are discussed. The computer program listings, input card formats, and sample runs for both radiosonde data and laboratory data are included.

Rational use of cognitive resources: levels of analysis between the computational and the algorithmic.

PubMed

Griffiths, Thomas L; Lieder, Falk; Goodman, Noah D

2015-04-01

Marr's levels of analysis-computational, algorithmic, and implementation-have served cognitive science well over the last 30 years. But the recent increase in the popularity of the computational level raises a new challenge: How do we begin to relate models at different levels of analysis? We propose that it is possible to define levels of analysis that lie between the computational and the algorithmic, providing a way to build a bridge between computational- and algorithmic-level models. The key idea is to push the notion of rationality, often used in defining computational-level models, deeper toward the algorithmic level. We offer a simple recipe for reverse-engineering the mind's cognitive strategies by deriving optimal algorithms for a series of increasingly more realistic abstract computational architectures, which we call "resource-rational analysis." Copyright © 2015 Cognitive Science Society, Inc.

Development of surrogate models for the prediction of the flow around an aircraft propeller

NASA Astrophysics Data System (ADS)

Salpigidou, Christina; Misirlis, Dimitris; Vlahostergios, Zinon; Yakinthos, Kyros

2018-05-01

In the present work, the derivation of two surrogate models (SMs) for modelling the flow around a propeller for small aircrafts is presented. Both methodologies use derived functions based on computations with the detailed propeller geometry. The computations were performed using k-ω shear stress transport for modelling turbulence. In the SMs, the modelling of the propeller was performed in a computational domain of disk-like geometry, where source terms were introduced in the momentum equations. In the first SM, the source terms were polynomial functions of swirl and thrust, mainly related to the propeller radius. In the second SM, regression analysis was used to correlate the source terms with the velocity distribution through the propeller. The proposed SMs achieved faster convergence, in relation to the detail model, by providing also results closer to the available operational data. The regression-based model was the most accurate and required less computational time for convergence.

A parallel-processing approach to computing for the geographic sciences

USGS Publications Warehouse

Crane, Michael; Steinwand, Dan; Beckmann, Tim; Krpan, Greg; Haga, Jim; Maddox, Brian; Feller, Mark

2001-01-01

The overarching goal of this project is to build a spatially distributed infrastructure for information science research by forming a team of information science researchers and providing them with similar hardware and software tools to perform collaborative research. Four geographically distributed Centers of the U.S. Geological Survey (USGS) are developing their own clusters of low-cost personal computers into parallel computing environments that provide a costeffective way for the USGS to increase participation in the high-performance computing community. Referred to as Beowulf clusters, these hybrid systems provide the robust computing power required for conducting research into various areas, such as advanced computer architecture, algorithms to meet the processing needs for real-time image and data processing, the creation of custom datasets from seamless source data, rapid turn-around of products for emergency response, and support for computationally intense spatial and temporal modeling.

Conversion of IVA Human Computer Model to EVA Use and Evaluation and Comparison of the Result to Existing EVA Models

NASA Technical Reports Server (NTRS)

Hamilton, George S.; Williams, Jermaine C.

1998-01-01

This paper describes the methods, rationale, and comparative results of the conversion of an intravehicular (IVA) 3D human computer model (HCM) to extravehicular (EVA) use and compares the converted model to an existing model on another computer platform. The task of accurately modeling a spacesuited human figure in software is daunting: the suit restricts the human's joint range of motion (ROM) and does not have joints collocated with human joints. The modeling of the variety of materials needed to construct a space suit (e. g. metal bearings, rigid fiberglass torso, flexible cloth limbs and rubber coated gloves) attached to a human figure is currently out of reach of desktop computer hardware and software. Therefore a simplified approach was taken. The HCM's body parts were enlarged and the joint ROM was restricted to match the existing spacesuit model. This basic approach could be used to model other restrictive environments in industry such as chemical or fire protective clothing. In summary, the approach provides a moderate fidelity, usable tool which will run on current notebook computers.

Evaluative methodology for comprehensive water quality management planning

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

Dyer, H. L.

Computer-based evaluative methodologies have been developed to provide for the analysis of coupled phenomena associated with natural resource comprehensive planning requirements. Provisions for planner/computer interaction have been included. Each of the simulation models developed is described in terms of its coded procedures. An application of the models for water quality management planning is presented; and the data requirements for each of the models are noted.

Higgs boson mass in the standard model at two-loop order and beyond

DOE PAGES

Martin, Stephen P.; Robertson, David G.

2014-10-01

We calculate the mass of the Higgs boson in the standard model in terms of the underlying Lagrangian parameters at complete 2-loop order with leading 3-loop corrections. A computer program implementing the results is provided. The program also computes and minimizes the standard model effective potential in Landau gauge at 2-loop order with leading 3-loop corrections.

Model development for Ulysses and SOHO

NASA Technical Reports Server (NTRS)

Wu, S. T.

1993-01-01

The purpose of this research is to provide scientific expertise in solar physics and in the development and use of magnetohydrodynamic (MHD) models of coronal structures for the computation of Lyman alpha scattered radiation in these structures. The specific objectives will be to run MHD models with new boundary conditions and compute resulting scattered solar Lyman alpha intensities, guided by results from the first series of boundary conditions.

Revealing Neurocomputational Mechanisms of Reinforcement Learning and Decision-Making With the hBayesDM Package

PubMed Central

Ahn, Woo-Young; Haines, Nathaniel; Zhang, Lei

2017-01-01

Reinforcement learning and decision-making (RLDM) provide a quantitative framework and computational theories with which we can disentangle psychiatric conditions into the basic dimensions of neurocognitive functioning. RLDM offer a novel approach to assessing and potentially diagnosing psychiatric patients, and there is growing enthusiasm for both RLDM and computational psychiatry among clinical researchers. Such a framework can also provide insights into the brain substrates of particular RLDM processes, as exemplified by model-based analysis of data from functional magnetic resonance imaging (fMRI) or electroencephalography (EEG). However, researchers often find the approach too technical and have difficulty adopting it for their research. Thus, a critical need remains to develop a user-friendly tool for the wide dissemination of computational psychiatric methods. We introduce an R package called hBayesDM (hierarchical Bayesian modeling of Decision-Making tasks), which offers computational modeling of an array of RLDM tasks and social exchange games. The hBayesDM package offers state-of-the-art hierarchical Bayesian modeling, in which both individual and group parameters (i.e., posterior distributions) are estimated simultaneously in a mutually constraining fashion. At the same time, the package is extremely user-friendly: users can perform computational modeling, output visualization, and Bayesian model comparisons, each with a single line of coding. Users can also extract the trial-by-trial latent variables (e.g., prediction errors) required for model-based fMRI/EEG. With the hBayesDM package, we anticipate that anyone with minimal knowledge of programming can take advantage of cutting-edge computational-modeling approaches to investigate the underlying processes of and interactions between multiple decision-making (e.g., goal-directed, habitual, and Pavlovian) systems. In this way, we expect that the hBayesDM package will contribute to the dissemination of advanced modeling approaches and enable a wide range of researchers to easily perform computational psychiatric research within different populations. PMID:29601060

Review of numerical models to predict cooling tower performance

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

Johnson, B.M.; Nomura, K.K.; Bartz, J.A.

1987-01-01

Four state-of-the-art computer models developed to predict the thermal performance of evaporative cooling towers are summarized. The formulation of these models, STAR and TEFERI (developed in Europe) and FACTS and VERA2D (developed in the U.S.), is summarized. A fifth code, based on Merkel analysis, is also discussed. Principal features of the codes, computation time and storage requirements are described. A discussion of model validation is also provided.

A Computational Model Quantifies the Effect of Anatomical Variability on Velopharyngeal Function

ERIC Educational Resources Information Center

Inouye, Joshua M.; Perry, Jamie L.; Lin, Kant Y.; Blemker, Silvia S.

2015-01-01

Purpose: This study predicted the effects of velopharyngeal (VP) anatomical parameters on VP function to provide a greater understanding of speech mechanics and aid in the treatment of speech disorders. Method: We created a computational model of the VP mechanism using dimensions obtained from magnetic resonance imaging measurements of 10 healthy…

Computer Simulation of a Hardwood Processing Plant

Treesearch

D. Earl Kline; Philip A. Araman

1990-01-01

The overall purpose of this paper is to introduce computer simulation as a decision support tool that can be used to provide managers with timely information. A simulation/animation modeling procedure is demonstrated for wood products manufacuring systems. Simulation modeling techniques are used to assist in identifying and solving problems. Animation is used for...

The Design and Evaluation of Teaching Experiments in Computer Science.

ERIC Educational Resources Information Center

Forcheri, Paola; Molfino, Maria Teresa

1992-01-01

Describes a relational model that was developed to provide a framework for the design and evaluation of teaching experiments for the introduction of computer science in secondary schools in Italy. Teacher training is discussed, instructional materials are considered, and use of the model for the evaluation process is described. (eight references)…

Microsimulation Modeling for Health Decision Sciences Using R: A Tutorial.

PubMed

Krijkamp, Eline M; Alarid-Escudero, Fernando; Enns, Eva A; Jalal, Hawre J; Hunink, M G Myriam; Pechlivanoglou, Petros

2018-04-01

Microsimulation models are becoming increasingly common in the field of decision modeling for health. Because microsimulation models are computationally more demanding than traditional Markov cohort models, the use of computer programming languages in their development has become more common. R is a programming language that has gained recognition within the field of decision modeling. It has the capacity to perform microsimulation models more efficiently than software commonly used for decision modeling, incorporate statistical analyses within decision models, and produce more transparent models and reproducible results. However, no clear guidance for the implementation of microsimulation models in R exists. In this tutorial, we provide a step-by-step guide to build microsimulation models in R and illustrate the use of this guide on a simple, but transferable, hypothetical decision problem. We guide the reader through the necessary steps and provide generic R code that is flexible and can be adapted for other models. We also show how this code can be extended to address more complex model structures and provide an efficient microsimulation approach that relies on vectorization solutions.

Atmospheric numerical modeling resource enhancement and model convective parameterization/scale interaction studies

NASA Technical Reports Server (NTRS)

Cushman, Paula P.

1993-01-01

Research will be undertaken in this contract in the area of Modeling Resource and Facilities Enhancement to include computer, technical and educational support to NASA investigators to facilitate model implementation, execution and analysis of output; to provide facilities linking USRA and the NASA/EADS Computer System as well as resident work stations in ESAD; and to provide a centralized location for documentation, archival and dissemination of modeling information pertaining to NASA's program. Additional research will be undertaken in the area of Numerical Model Scale Interaction/Convective Parameterization Studies to include implementation of the comparison of cloud and rain systems and convective-scale processes between the model simulations and what was observed; and to incorporate the findings of these and related research findings in at least two refereed journal articles.

Deep learning for computational chemistry

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

Goh, Garrett B.; Hodas, Nathan O.; Vishnu, Abhinav

The rise and fall of artificial neural networks is well documented in the scientific literature of both the fields of computer science and computational chemistry. Yet almost two decades later, we are now seeing a resurgence of interest in deep learning, a machine learning algorithm based on “deep” neural networks. Within the last few years, we have seen the transformative impact of deep learning the computer science domain, notably in speech recognition and computer vision, to the extent that the majority of practitioners in those field are now regularly eschewing prior established models in favor of deep learning models. Inmore » this review, we provide an introductory overview into the theory of deep neural networks and their unique properties as compared to traditional machine learning algorithms used in cheminformatics. By providing an overview of the variety of emerging applications of deep neural networks, we highlight its ubiquity and broad applicability to a wide range of challenges in the field, including QSAR, virtual screening, protein structure modeling, QM calculations, materials synthesis and property prediction. In reviewing the performance of deep neural networks, we observed a consistent outperformance against non neural networks state-of-the-art models across disparate research topics, and deep neural network based models often exceeded the “glass ceiling” expectations of their respective tasks. Coupled with the maturity of GPU-accelerated computing for training deep neural networks and the exponential growth of chemical data on which to train these networks on, we anticipate that deep learning algorithms will be a useful tool and may grow into a pivotal role for various challenges in the computational chemistry field.« less

Electromagnetomechanical elastodynamic model for Lamb wave damage quantification in composites

NASA Astrophysics Data System (ADS)

Borkowski, Luke; Chattopadhyay, Aditi

2014-03-01

Physics-based wave propagation computational models play a key role in structural health monitoring (SHM) and the development of improved damage quantification methodologies. Guided waves (GWs), such as Lamb waves, provide the capability to monitor large plate-like aerospace structures with limited actuators and sensors and are sensitive to small scale damage; however due to the complex nature of GWs, accurate and efficient computation tools are necessary to investigate the mechanisms responsible for dispersion, coupling, and interaction with damage. In this paper, the local interaction simulation approach (LISA) coupled with the sharp interface model (SIM) solution methodology is used to solve the fully coupled electro-magneto-mechanical elastodynamic equations for the piezoelectric and piezomagnetic actuation and sensing of GWs in fiber reinforced composite material systems. The final framework provides the full three-dimensional displacement as well as electrical and magnetic potential fields for arbitrary plate and transducer geometries and excitation waveform and frequency. The model is validated experimentally and proven computationally efficient for a laminated composite plate. Studies are performed with surface bonded piezoelectric and embedded piezomagnetic sensors to gain insight into the physics of experimental techniques used for SHM. The symmetric collocation of piezoelectric actuators is modeled to demonstrate mode suppression in laminated composites for the purpose of damage detection. The effect of delamination and damage (i.e., matrix cracking) on the GW propagation is demonstrated and quantified. The developed model provides a valuable tool for the improvement of SHM techniques due to its proven accuracy and computational efficiency.

Analysis of multigrid methods on massively parallel computers: Architectural implications

NASA Technical Reports Server (NTRS)

Matheson, Lesley R.; Tarjan, Robert E.

1993-01-01

We study the potential performance of multigrid algorithms running on massively parallel computers with the intent of discovering whether presently envisioned machines will provide an efficient platform for such algorithms. We consider the domain parallel version of the standard V cycle algorithm on model problems, discretized using finite difference techniques in two and three dimensions on block structured grids of size 10(exp 6) and 10(exp 9), respectively. Our models of parallel computation were developed to reflect the computing characteristics of the current generation of massively parallel multicomputers. These models are based on an interconnection network of 256 to 16,384 message passing, 'workstation size' processors executing in an SPMD mode. The first model accomplishes interprocessor communications through a multistage permutation network. The communication cost is a logarithmic function which is similar to the costs in a variety of different topologies. The second model allows single stage communication costs only. Both models were designed with information provided by machine developers and utilize implementation derived parameters. With the medium grain parallelism of the current generation and the high fixed cost of an interprocessor communication, our analysis suggests an efficient implementation requires the machine to support the efficient transmission of long messages, (up to 1000 words) or the high initiation cost of a communication must be significantly reduced through an alternative optimization technique. Furthermore, with variable length message capability, our analysis suggests the low diameter multistage networks provide little or no advantage over a simple single stage communications network.

Model selection for the North American Breeding Bird Survey: A comparison of methods

USGS Publications Warehouse

Link, William; Sauer, John; Niven, Daniel

2017-01-01

The North American Breeding Bird Survey (BBS) provides data for >420 bird species at multiple geographic scales over 5 decades. Modern computational methods have facilitated the fitting of complex hierarchical models to these data. It is easy to propose and fit new models, but little attention has been given to model selection. Here, we discuss and illustrate model selection using leave-one-out cross validation, and the Bayesian Predictive Information Criterion (BPIC). Cross-validation is enormously computationally intensive; we thus evaluate the performance of the Watanabe-Akaike Information Criterion (WAIC) as a computationally efficient approximation to the BPIC. Our evaluation is based on analyses of 4 models as applied to 20 species covered by the BBS. Model selection based on BPIC provided no strong evidence of one model being consistently superior to the others; for 14/20 species, none of the models emerged as superior. For the remaining 6 species, a first-difference model of population trajectory was always among the best fitting. Our results show that WAIC is not reliable as a surrogate for BPIC. Development of appropriate model sets and their evaluation using BPIC is an important innovation for the analysis of BBS data.

A portable MPI-based parallel vector template library

NASA Technical Reports Server (NTRS)

Sheffler, Thomas J.

1995-01-01

This paper discusses the design and implementation of a polymorphic collection library for distributed address-space parallel computers. The library provides a data-parallel programming model for C++ by providing three main components: a single generic collection class, generic algorithms over collections, and generic algebraic combining functions. Collection elements are the fourth component of a program written using the library and may be either of the built-in types of C or of user-defined types. Many ideas are borrowed from the Standard Template Library (STL) of C++, although a restricted programming model is proposed because of the distributed address-space memory model assumed. Whereas the STL provides standard collections and implementations of algorithms for uniprocessors, this paper advocates standardizing interfaces that may be customized for different parallel computers. Just as the STL attempts to increase programmer productivity through code reuse, a similar standard for parallel computers could provide programmers with a standard set of algorithms portable across many different architectures. The efficacy of this approach is verified by examining performance data collected from an initial implementation of the library running on an IBM SP-2 and an Intel Paragon.

A Portable MPI-Based Parallel Vector Template Library

NASA Technical Reports Server (NTRS)

Sheffler, Thomas J.

1995-01-01

This paper discusses the design and implementation of a polymorphic collection library for distributed address-space parallel computers. The library provides a data-parallel programming model for C + + by providing three main components: a single generic collection class, generic algorithms over collections, and generic algebraic combining functions. Collection elements are the fourth component of a program written using the library and may be either of the built-in types of c or of user-defined types. Many ideas are borrowed from the Standard Template Library (STL) of C++, although a restricted programming model is proposed because of the distributed address-space memory model assumed. Whereas the STL provides standard collections and implementations of algorithms for uniprocessors, this paper advocates standardizing interfaces that may be customized for different parallel computers. Just as the STL attempts to increase programmer productivity through code reuse, a similar standard for parallel computers could provide programmers with a standard set of algorithms portable across many different architectures. The efficacy of this approach is verified by examining performance data collected from an initial implementation of the library running on an IBM SP-2 and an Intel Paragon.

Dynamical analysis of Parkinsonian state emulated by hybrid Izhikevich neuron models

NASA Astrophysics Data System (ADS)

Liu, Chen; Wang, Jiang; Yu, Haitao; Deng, Bin; Wei, Xile; Li, Huiyan; Loparo, Kenneth A.; Fietkiewicz, Chris

2015-11-01

Computational models play a significant role in exploring novel theories to complement the findings of physiological experiments. Various computational models have been developed to reveal the mechanisms underlying brain functions. Particularly, in the development of therapies to modulate behavioral and pathological abnormalities, computational models provide the basic foundations to exhibit transitions between physiological and pathological conditions. Considering the significant roles of the intrinsic properties of the globus pallidus and the coupling connections between neurons in determining the firing patterns and the dynamical activities of the basal ganglia neuronal network, we propose a hypothesis that pathological behaviors under the Parkinsonian state may originate from combined effects of intrinsic properties of globus pallidus neurons and synaptic conductances in the whole neuronal network. In order to establish a computational efficient network model, hybrid Izhikevich neuron model is used due to its capacity of capturing the dynamical characteristics of the biological neuronal activities. Detailed analysis of the individual Izhikevich neuron model can assist in understanding the roles of model parameters, which then facilitates the establishment of the basal ganglia-thalamic network model, and contributes to a further exploration of the underlying mechanisms of the Parkinsonian state. Simulation results show that the hybrid Izhikevich neuron model is capable of capturing many of the dynamical properties of the basal ganglia-thalamic neuronal network, such as variations of the firing rates and emergence of synchronous oscillations under the Parkinsonian condition, despite the simplicity of the two-dimensional neuronal model. It may suggest that the computational efficient hybrid Izhikevich neuron model can be used to explore basal ganglia normal and abnormal functions. Especially it provides an efficient way of emulating the large-scale neuron network and potentially contributes to development of improved therapy for neurological disorders such as Parkinson's disease.

Computational Software for Fitting Seismic Data to Epidemic-Type Aftershock Sequence Models

NASA Astrophysics Data System (ADS)

Chu, A.

2014-12-01

Modern earthquake catalogs are often analyzed using spatial-temporal point process models such as the epidemic-type aftershock sequence (ETAS) models of Ogata (1998). My work introduces software to implement two of ETAS models described in Ogata (1998). To find the Maximum-Likelihood Estimates (MLEs), my software provides estimates of the homogeneous background rate parameter and the temporal and spatial parameters that govern triggering effects by applying the Expectation-Maximization (EM) algorithm introduced in Veen and Schoenberg (2008). Despite other computer programs exist for similar data modeling purpose, using EM-algorithm has the benefits of stability and robustness (Veen and Schoenberg, 2008). Spatial shapes that are very long and narrow cause difficulties in optimization convergence and problems with flat or multi-modal log-likelihood functions encounter similar issues. My program uses a robust method to preset a parameter to overcome the non-convergence computational issue. In addition to model fitting, the software is equipped with useful tools for examining modeling fitting results, for example, visualization of estimated conditional intensity, and estimation of expected number of triggered aftershocks. A simulation generator is also given with flexible spatial shapes that may be defined by the user. This open-source software has a very simple user interface. The user may execute it on a local computer, and the program also has potential to be hosted online. Java language is used for the software's core computing part and an optional interface to the statistical package R is provided.

GPU-computing in econophysics and statistical physics

NASA Astrophysics Data System (ADS)

Preis, T.

2011-03-01

A recent trend in computer science and related fields is general purpose computing on graphics processing units (GPUs), which can yield impressive performance. With multiple cores connected by high memory bandwidth, today's GPUs offer resources for non-graphics parallel processing. This article provides a brief introduction into the field of GPU computing and includes examples. In particular computationally expensive analyses employed in financial market context are coded on a graphics card architecture which leads to a significant reduction of computing time. In order to demonstrate the wide range of possible applications, a standard model in statistical physics - the Ising model - is ported to a graphics card architecture as well, resulting in large speedup values.

QSAR Methods.

PubMed

Gini, Giuseppina

2016-01-01

In this chapter, we introduce the basis of computational chemistry and discuss how computational methods have been extended to some biological properties and toxicology, in particular. Since about 20 years, chemical experimentation is more and more replaced by modeling and virtual experimentation, using a large core of mathematics, chemistry, physics, and algorithms. Then we see how animal experiments, aimed at providing a standardized result about a biological property, can be mimicked by new in silico methods. Our emphasis here is on toxicology and on predicting properties through chemical structures. Two main streams of such models are available: models that consider the whole molecular structure to predict a value, namely QSAR (Quantitative Structure Activity Relationships), and models that find relevant substructures to predict a class, namely SAR. The term in silico discovery is applied to chemical design, to computational toxicology, and to drug discovery. We discuss how the experimental practice in biological science is moving more and more toward modeling and simulation. Such virtual experiments confirm hypotheses, provide data for regulation, and help in designing new chemicals.

Hierarchical Nearest-Neighbor Gaussian Process Models for Large Geostatistical Datasets.

PubMed

Datta, Abhirup; Banerjee, Sudipto; Finley, Andrew O; Gelfand, Alan E

2016-01-01

Spatial process models for analyzing geostatistical data entail computations that become prohibitive as the number of spatial locations become large. This article develops a class of highly scalable nearest-neighbor Gaussian process (NNGP) models to provide fully model-based inference for large geostatistical datasets. We establish that the NNGP is a well-defined spatial process providing legitimate finite-dimensional Gaussian densities with sparse precision matrices. We embed the NNGP as a sparsity-inducing prior within a rich hierarchical modeling framework and outline how computationally efficient Markov chain Monte Carlo (MCMC) algorithms can be executed without storing or decomposing large matrices. The floating point operations (flops) per iteration of this algorithm is linear in the number of spatial locations, thereby rendering substantial scalability. We illustrate the computational and inferential benefits of the NNGP over competing methods using simulation studies and also analyze forest biomass from a massive U.S. Forest Inventory dataset at a scale that precludes alternative dimension-reducing methods. Supplementary materials for this article are available online.

Hierarchical Nearest-Neighbor Gaussian Process Models for Large Geostatistical Datasets

PubMed Central

Datta, Abhirup; Banerjee, Sudipto; Finley, Andrew O.; Gelfand, Alan E.

2018-01-01

Spatial process models for analyzing geostatistical data entail computations that become prohibitive as the number of spatial locations become large. This article develops a class of highly scalable nearest-neighbor Gaussian process (NNGP) models to provide fully model-based inference for large geostatistical datasets. We establish that the NNGP is a well-defined spatial process providing legitimate finite-dimensional Gaussian densities with sparse precision matrices. We embed the NNGP as a sparsity-inducing prior within a rich hierarchical modeling framework and outline how computationally efficient Markov chain Monte Carlo (MCMC) algorithms can be executed without storing or decomposing large matrices. The floating point operations (flops) per iteration of this algorithm is linear in the number of spatial locations, thereby rendering substantial scalability. We illustrate the computational and inferential benefits of the NNGP over competing methods using simulation studies and also analyze forest biomass from a massive U.S. Forest Inventory dataset at a scale that precludes alternative dimension-reducing methods. Supplementary materials for this article are available online. PMID:29720777

Computational substrates of social value in interpersonal collaboration.

PubMed

Fareri, Dominic S; Chang, Luke J; Delgado, Mauricio R

2015-05-27

Decisions to engage in collaborative interactions require enduring considerable risk, yet provide the foundation for building and maintaining relationships. Here, we investigate the mechanisms underlying this process and test a computational model of social value to predict collaborative decision making. Twenty-six participants played an iterated trust game and chose to invest more frequently with their friends compared with a confederate or computer despite equal reinforcement rates. This behavior was predicted by our model, which posits that people receive a social value reward signal from reciprocation of collaborative decisions conditional on the closeness of the relationship. This social value signal was associated with increased activity in the ventral striatum and medial prefrontal cortex, which significantly predicted the reward parameters from the social value model. Therefore, we demonstrate that the computation of social value drives collaborative behavior in repeated interactions and provide a mechanistic account of reward circuit function instantiating this process. Copyright © 2015 the authors 0270-6474/15/358170-11$15.00/0.

Understanding Plant Nitrogen Metabolism through Metabolomics and Computational Approaches

PubMed Central

Beatty, Perrin H.; Klein, Matthias S.; Fischer, Jeffrey J.; Lewis, Ian A.; Muench, Douglas G.; Good, Allen G.

2016-01-01

A comprehensive understanding of plant metabolism could provide a direct mechanism for improving nitrogen use efficiency (NUE) in crops. One of the major barriers to achieving this outcome is our poor understanding of the complex metabolic networks, physiological factors, and signaling mechanisms that affect NUE in agricultural settings. However, an exciting collection of computational and experimental approaches has begun to elucidate whole-plant nitrogen usage and provides an avenue for connecting nitrogen-related phenotypes to genes. Herein, we describe how metabolomics, computational models of metabolism, and flux balance analysis have been harnessed to advance our understanding of plant nitrogen metabolism. We introduce a model describing the complex flow of nitrogen through crops in a real-world agricultural setting and describe how experimental metabolomics data, such as isotope labeling rates and analyses of nutrient uptake, can be used to refine these models. In summary, the metabolomics/computational approach offers an exciting mechanism for understanding NUE that may ultimately lead to more effective crop management and engineered plants with higher yields. PMID:27735856

Cloud Computing for Mission Design and Operations

NASA Technical Reports Server (NTRS)

Arrieta, Juan; Attiyah, Amy; Beswick, Robert; Gerasimantos, Dimitrios

2012-01-01

The space mission design and operations community already recognizes the value of cloud computing and virtualization. However, natural and valid concerns, like security, privacy, up-time, and vendor lock-in, have prevented a more widespread and expedited adoption into official workflows. In the interest of alleviating these concerns, we propose a series of guidelines for internally deploying a resource-oriented hub of data and algorithms. These guidelines provide a roadmap for implementing an architecture inspired in the cloud computing model: associative, elastic, semantical, interconnected, and adaptive. The architecture can be summarized as exposing data and algorithms as resource-oriented Web services, coordinated via messaging, and running on virtual machines; it is simple, and based on widely adopted standards, protocols, and tools. The architecture may help reduce common sources of complexity intrinsic to data-driven, collaborative interactions and, most importantly, it may provide the means for teams and agencies to evaluate the cloud computing model in their specific context, with minimal infrastructure changes, and before committing to a specific cloud services provider.

Research papers and publications (1981-1987): Workload research program

NASA Technical Reports Server (NTRS)

Hart, Sandra G. (Compiler)

1987-01-01

An annotated bibliography of the research reports written by participants in NASA's Workload Research Program since 1981 is presented, representing the results of theoretical and applied research conducted at Ames Research Center and at universities and industrial laboratories funded by the program. The major program elements included: 1) developing an understanding of the workload concept; 2) providing valid, reliable, and practical measures of workload; and 3) creating a computer model to predict workload. The goal is to provide workload-related design principles, measures, guidelines, and computational models. The research results are transferred to user groups by establishing close ties with manufacturers, civil and military operators of aerospace systems, and regulatory agencies; publishing scientific articles; participating in and sponsoring workshops and symposia; providing information, guidelines, and computer models; and contributing to the formulation of standards. In addition, the methods and theories developed have been applied to specific operational and design problems at the request of a number of industry and government agencies.

Building confidence and credibility amid growing model and computing complexity

NASA Astrophysics Data System (ADS)

Evans, K. J.; Mahajan, S.; Veneziani, C.; Kennedy, J. H.

2017-12-01

As global Earth system models are developed to answer an ever-wider range of science questions, software products that provide robust verification, validation, and evaluation must evolve in tandem. Measuring the degree to which these new models capture past behavior, predict the future, and provide the certainty of predictions is becoming ever more challenging for reasons that are generally well known, yet are still challenging to address. Two specific and divergent needs for analysis of the Accelerated Climate Model for Energy (ACME) model - but with a similar software philosophy - are presented to show how a model developer-based focus can address analysis needs during expansive model changes to provide greater fidelity and execute on multi-petascale computing facilities. A-PRIME is a python script-based quick-look overview of a fully-coupled global model configuration to determine quickly if it captures specific behavior before significant computer time and expense is invested. EVE is an ensemble-based software framework that focuses on verification of performance-based ACME model development, such as compiler or machine settings, to determine the equivalence of relevant climate statistics. The challenges and solutions for analysis of multi-petabyte output data are highlighted from the aspect of the scientist using the software, with the aim of fostering discussion and further input from the community about improving developer confidence and community credibility.

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

Smith, Kandler A; Santhanagopalan, Shriram; Yang, Chuanbo

Computer models are helping to accelerate the design and validation of next generation batteries and provide valuable insights not possible through experimental testing alone. Validated 3-D physics-based models exist for predicting electrochemical performance, thermal and mechanical response of cells and packs under normal and abuse scenarios. The talk describes present efforts to make the models better suited for engineering design, including improving their computation speed, developing faster processes for model parameter identification including under aging, and predicting the performance of a proposed electrode material recipe a priori using microstructure models.

A comparative study of approaches to compute the field distribution of deep brain stimulation in the Hemiparkinson rat model.

PubMed

Bohme, Andrea; van Rienen, Ursula

2016-08-01

Computational modeling of the stimulating field distribution during Deep Brain Stimulation provides an opportunity to advance our knowledge of this neurosurgical therapy for Parkinson's disease. There exist several approaches to model the target region for Deep Brain Stimulation in Hemi-parkinson Rats with volume conductor models. We have described and compared the normalized mapping approach as well as the modeling with three-dimensional structures, which include curvilinear coordinates to assure an anatomically realistic conductivity tensor orientation.

Challenges in Reproducibility, Replicability, and Comparability of Computational Models and Tools for Neuronal and Glial Networks, Cells, and Subcellular Structures.

PubMed

Manninen, Tiina; Aćimović, Jugoslava; Havela, Riikka; Teppola, Heidi; Linne, Marja-Leena

2018-01-01

The possibility to replicate and reproduce published research results is one of the biggest challenges in all areas of science. In computational neuroscience, there are thousands of models available. However, it is rarely possible to reimplement the models based on the information in the original publication, let alone rerun the models just because the model implementations have not been made publicly available. We evaluate and discuss the comparability of a versatile choice of simulation tools: tools for biochemical reactions and spiking neuronal networks, and relatively new tools for growth in cell cultures. The replicability and reproducibility issues are considered for computational models that are equally diverse, including the models for intracellular signal transduction of neurons and glial cells, in addition to single glial cells, neuron-glia interactions, and selected examples of spiking neuronal networks. We also address the comparability of the simulation results with one another to comprehend if the studied models can be used to answer similar research questions. In addition to presenting the challenges in reproducibility and replicability of published results in computational neuroscience, we highlight the need for developing recommendations and good practices for publishing simulation tools and computational models. Model validation and flexible model description must be an integral part of the tool used to simulate and develop computational models. Constant improvement on experimental techniques and recording protocols leads to increasing knowledge about the biophysical mechanisms in neural systems. This poses new challenges for computational neuroscience: extended or completely new computational methods and models may be required. Careful evaluation and categorization of the existing models and tools provide a foundation for these future needs, for constructing multiscale models or extending the models to incorporate additional or more detailed biophysical mechanisms. Improving the quality of publications in computational neuroscience, enabling progressive building of advanced computational models and tools, can be achieved only through adopting publishing standards which underline replicability and reproducibility of research results.

Challenges in Reproducibility, Replicability, and Comparability of Computational Models and Tools for Neuronal and Glial Networks, Cells, and Subcellular Structures

PubMed Central

Manninen, Tiina; Aćimović, Jugoslava; Havela, Riikka; Teppola, Heidi; Linne, Marja-Leena

2018-01-01

The possibility to replicate and reproduce published research results is one of the biggest challenges in all areas of science. In computational neuroscience, there are thousands of models available. However, it is rarely possible to reimplement the models based on the information in the original publication, let alone rerun the models just because the model implementations have not been made publicly available. We evaluate and discuss the comparability of a versatile choice of simulation tools: tools for biochemical reactions and spiking neuronal networks, and relatively new tools for growth in cell cultures. The replicability and reproducibility issues are considered for computational models that are equally diverse, including the models for intracellular signal transduction of neurons and glial cells, in addition to single glial cells, neuron-glia interactions, and selected examples of spiking neuronal networks. We also address the comparability of the simulation results with one another to comprehend if the studied models can be used to answer similar research questions. In addition to presenting the challenges in reproducibility and replicability of published results in computational neuroscience, we highlight the need for developing recommendations and good practices for publishing simulation tools and computational models. Model validation and flexible model description must be an integral part of the tool used to simulate and develop computational models. Constant improvement on experimental techniques and recording protocols leads to increasing knowledge about the biophysical mechanisms in neural systems. This poses new challenges for computational neuroscience: extended or completely new computational methods and models may be required. Careful evaluation and categorization of the existing models and tools provide a foundation for these future needs, for constructing multiscale models or extending the models to incorporate additional or more detailed biophysical mechanisms. Improving the quality of publications in computational neuroscience, enabling progressive building of advanced computational models and tools, can be achieved only through adopting publishing standards which underline replicability and reproducibility of research results. PMID:29765315

Revisiting Frazier's subdeltas: enhancing datasets with dimensionality, better to understand geologic systems

USGS Publications Warehouse

Flocks, James

2006-01-01

Scientific knowledge from the past century is commonly represented by two-dimensional figures and graphs, as presented in manuscripts and maps. Using today's computer technology, this information can be extracted and projected into three- and four-dimensional perspectives. Computer models can be applied to datasets to provide additional insight into complex spatial and temporal systems. This process can be demonstrated by applying digitizing and modeling techniques to valuable information within widely used publications. The seminal paper by D. Frazier, published in 1967, identified 16 separate delta lobes formed by the Mississippi River during the past 6,000 yrs. The paper includes stratigraphic descriptions through geologic cross-sections, and provides distribution and chronologies of the delta lobes. The data from Frazier's publication are extensively referenced in the literature. Additional information can be extracted from the data through computer modeling. Digitizing and geo-rectifying Frazier's geologic cross-sections produce a three-dimensional perspective of the delta lobes. Adding the chronological data included in the report provides the fourth-dimension of the delta cycles, which can be visualized through computer-generated animation. Supplemental information can be added to the model, such as post-abandonment subsidence of the delta-lobe surface. Analyzing the regional, net surface-elevation balance between delta progradations and land subsidence is computationally intensive. By visualizing this process during the past 4,500 yrs through multi-dimensional animation, the importance of sediment compaction in influencing both the shape and direction of subsequent delta progradations becomes apparent. Visualization enhances a classic dataset, and can be further refined using additional data, as well as provide a guide for identifying future areas of study.

Measurement and computer simulation of antennas on ships and aircraft for results of operational reliability

NASA Astrophysics Data System (ADS)

Kubina, Stanley J.

1989-09-01

The review of the status of computational electromagnetics by Miller and the exposition by Burke of the developments in one of the more important computer codes in the application of the electric field integral equation method, the Numerical Electromagnetic Code (NEC), coupled with Molinet's summary of progress in techniques based on the Geometrical Theory of Diffraction (GTD), provide a clear perspective on the maturity of the modern discipline of computational electromagnetics and its potential. Audone's exposition of the application to the computation of Radar Scattering Cross-section (RCS) is an indication of the breadth of practical applications and his exploitation of modern near-field measurement techniques reminds one of progress in the measurement discipline which is essential to the validation or calibration of computational modeling methodology when applied to complex structures such as aircraft and ships. The latter monograph also presents some comparison results with computational models. Some of the results presented for scale model and flight measurements show some serious disagreements in the lobe structure which would require some detailed examination. This also applies to the radiation patterns obtained by flight measurement compared with those obtained using wire-grid models and integral equation modeling methods. In the examples which follow, an attempt is made to match measurements results completely over the entire 2 to 30 MHz HF range for antennas on a large patrol aircraft. The problem of validating computer models of HF antennas on a helicopter and using computer models to generate radiation pattern information which cannot be obtained by measurements are discussed. The use of NEC computer models to analyze top-side ship configurations where measurement results are not available and only self-validation measures are available or at best comparisons with an alternate GTD computer modeling technique is also discussed.

Category-theoretic models of algebraic computer systems

NASA Astrophysics Data System (ADS)

Kovalyov, S. P.

2016-01-01

A computer system is said to be algebraic if it contains nodes that implement unconventional computation paradigms based on universal algebra. A category-based approach to modeling such systems that provides a theoretical basis for mapping tasks to these systems' architecture is proposed. The construction of algebraic models of general-purpose computations involving conditional statements and overflow control is formally described by a reflector in an appropriate category of algebras. It is proved that this reflector takes the modulo ring whose operations are implemented in the conventional arithmetic processors to the Łukasiewicz logic matrix. Enrichments of the set of ring operations that form bases in the Łukasiewicz logic matrix are found.

SURE reliability analysis: Program and mathematics

NASA Technical Reports Server (NTRS)

Butler, Ricky W.; White, Allan L.

1988-01-01

The SURE program is a new reliability analysis tool for ultrareliable computer system architectures. The computational methods on which the program is based provide an efficient means for computing accurate upper and lower bounds for the death state probabilities of a large class of semi-Markov models. Once a semi-Markov model is described using a simple input language, the SURE program automatically computes the upper and lower bounds on the probability of system failure. A parameter of the model can be specified as a variable over a range of values directing the SURE program to perform a sensitivity analysis automatically. This feature, along with the speed of the program, makes it especially useful as a design tool.

Geometric modeling for computer aided design

NASA Technical Reports Server (NTRS)

Schwing, James L.

1993-01-01

Over the past several years, it has been the primary goal of this grant to design and implement software to be used in the conceptual design of aerospace vehicles. The work carried out under this grant was performed jointly with members of the Vehicle Analysis Branch (VAB) of NASA LaRC, Computer Sciences Corp., and Vigyan Corp. This has resulted in the development of several packages and design studies. Primary among these are the interactive geometric modeling tool, the Solid Modeling Aerospace Research Tool (smart), and the integration and execution tools provided by the Environment for Application Software Integration and Execution (EASIE). In addition, it is the purpose of the personnel of this grant to provide consultation in the areas of structural design, algorithm development, and software development and implementation, particularly in the areas of computer aided design, geometric surface representation, and parallel algorithms.

Animated computer graphics models of space and earth sciences data generated via the massively parallel processor

NASA Technical Reports Server (NTRS)

Treinish, Lloyd A.; Gough, Michael L.; Wildenhain, W. David

1987-01-01

The capability was developed of rapidly producing visual representations of large, complex, multi-dimensional space and earth sciences data sets via the implementation of computer graphics modeling techniques on the Massively Parallel Processor (MPP) by employing techniques recently developed for typically non-scientific applications. Such capabilities can provide a new and valuable tool for the understanding of complex scientific data, and a new application of parallel computing via the MPP. A prototype system with such capabilities was developed and integrated into the National Space Science Data Center's (NSSDC) Pilot Climate Data System (PCDS) data-independent environment for computer graphics data display to provide easy access to users. While developing these capabilities, several problems had to be solved independently of the actual use of the MPP, all of which are outlined.

Fundamentals and Recent Developments in Approximate Bayesian Computation

PubMed Central

Lintusaari, Jarno; Gutmann, Michael U.; Dutta, Ritabrata; Kaski, Samuel; Corander, Jukka

2017-01-01

Abstract Bayesian inference plays an important role in phylogenetics, evolutionary biology, and in many other branches of science. It provides a principled framework for dealing with uncertainty and quantifying how it changes in the light of new evidence. For many complex models and inference problems, however, only approximate quantitative answers are obtainable. Approximate Bayesian computation (ABC) refers to a family of algorithms for approximate inference that makes a minimal set of assumptions by only requiring that sampling from a model is possible. We explain here the fundamentals of ABC, review the classical algorithms, and highlight recent developments. [ABC; approximate Bayesian computation; Bayesian inference; likelihood-free inference; phylogenetics; simulator-based models; stochastic simulation models; tree-based models.] PMID:28175922

Computer simulation of the metastatic progression.

PubMed

Wedemann, Gero; Bethge, Anja; Haustein, Volker; Schumacher, Udo

2014-01-01

A novel computer model based on a discrete event simulation procedure describes quantitatively the processes underlying the metastatic cascade. Analytical functions describe the size of the primary tumor and the metastases, while a rate function models the intravasation events of the primary tumor and metastases. Events describe the behavior of the malignant cells until the formation of new metastases. The results of the computer simulations are in quantitative agreement with clinical data determined from a patient with hepatocellular carcinoma in the liver. The model provides a more detailed view on the process than a conventional mathematical model. In particular, the implications of interventions on metastasis formation can be calculated.

The Modeling of Vibration Damping in SMA Wires

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

Reynolds, D R; Kloucek, P; Seidman, T I

Through a mathematical and computational model of the physical behavior of shape memory alloy wires, this study shows that localized heating and cooling of such materials provides an effective means of damping vibrational energy. The thermally induced pseudo-elastic behavior of a shape memory wire is modeled using a continuum thermodynamic model and solved computationally as described by the authors in [23]. Computational experiments confirm that up to 80% of an initial shock of vibrational energy can be eliminated at the onset of a thermally-induced phase transformation through the use of spatially-distributed transformation regions along the length of a shape memorymore » alloy wire.« less

Satellite broadcasting system study

NASA Technical Reports Server (NTRS)

1972-01-01

The study to develop a system model and computer program representative of broadcasting satellite systems employing community-type receiving terminals is reported. The program provides a user-oriented tool for evaluating performance/cost tradeoffs, synthesizing minimum cost systems for a given set of system requirements, and performing sensitivity analyses to identify critical parameters and technology. The performance/ costing philosophy and what is meant by a minimum cost system is shown graphically. Topics discussed include: main line control program, ground segment model, space segment model, cost models and launch vehicle selection. Several examples of minimum cost systems resulting from the computer program are presented. A listing of the computer program is also included.

Dynamic mechanistic explanation: computational modeling of circadian rhythms as an exemplar for cognitive science.

PubMed

Bechtel, William; Abrahamsen, Adele

2010-09-01

We consider computational modeling in two fields: chronobiology and cognitive science. In circadian rhythm models, variables generally correspond to properties of parts and operations of the responsible mechanism. A computational model of this complex mechanism is grounded in empirical discoveries and contributes a more refined understanding of the dynamics of its behavior. In cognitive science, on the other hand, computational modelers typically advance de novo proposals for mechanisms to account for behavior. They offer indirect evidence that a proposed mechanism is adequate to produce particular behavioral data, but typically there is no direct empirical evidence for the hypothesized parts and operations. Models in these two fields differ in the extent of their empirical grounding, but they share the goal of achieving dynamic mechanistic explanation. That is, they augment a proposed mechanistic explanation with a computational model that enables exploration of the mechanism's dynamics. Using exemplars from circadian rhythm research, we extract six specific contributions provided by computational models. We then examine cognitive science models to determine how well they make the same types of contributions. We suggest that the modeling approach used in circadian research may prove useful in cognitive science as researchers develop procedures for experimentally decomposing cognitive mechanisms into parts and operations and begin to understand their nonlinear interactions.

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

Sadayappan, Ponnuswamy

Exascale computing systems will provide a thousand-fold increase in parallelism and a proportional increase in failure rate relative to today's machines. Systems software for exascale machines must provide the infrastructure to support existing applications while simultaneously enabling efficient execution of new programming models that naturally express dynamic, adaptive, irregular computation; coupled simulations; and massive data analysis in a highly unreliable hardware environment with billions of threads of execution. We propose a new approach to the data and work distribution model provided by system software based on the unifying formalism of an abstract file system. The proposed hierarchical data model providesmore » simple, familiar visibility and access to data structures through the file system hierarchy, while providing fault tolerance through selective redundancy. The hierarchical task model features work queues whose form and organization are represented as file system objects. Data and work are both first class entities. By exposing the relationships between data and work to the runtime system, information is available to optimize execution time and provide fault tolerance. The data distribution scheme provides replication (where desirable and possible) for fault tolerance and efficiency, and it is hierarchical to make it possible to take advantage of locality. The user, tools, and applications, including legacy applications, can interface with the data, work queues, and one another through the abstract file model. This runtime environment will provide multiple interfaces to support traditional Message Passing Interface applications, languages developed under DARPA's High Productivity Computing Systems program, as well as other, experimental programming models. We will validate our runtime system with pilot codes on existing platforms and will use simulation to validate for exascale-class platforms. In this final report, we summarize research results from the work done at the Ohio State University towards the larger goals of the project listed above.« less

Neuromorphic Computing: A Post-Moore's Law Complementary Architecture

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

Schuman, Catherine D; Birdwell, John Douglas; Dean, Mark

2016-01-01

We describe our approach to post-Moore's law computing with three neuromorphic computing models that share a RISC philosophy, featuring simple components combined with a flexible and programmable structure. We envision these to be leveraged as co-processors, or as data filters to provide in situ data analysis in supercomputing environments.

Integrating Computer-Assisted Language Learning in Saudi Schools: A Change Model

ERIC Educational Resources Information Center

Alresheed, Saleh; Leask, Marilyn; Raiker, Andrea

2015-01-01

Computer-assisted language learning (CALL) technology and pedagogy have gained recognition globally for their success in supporting second language acquisition (SLA). In Saudi Arabia, the government aims to provide most educational institutions with computers and networking for integrating CALL into classrooms. However, the recognition of CALL's…

Advanced Computing Tools and Models for Accelerator Physics

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

Ryne, Robert; Ryne, Robert D.

2008-06-11

This paper is based on a transcript of my EPAC'08 presentation on advanced computing tools for accelerator physics. Following an introduction I present several examples, provide a history of the development of beam dynamics capabilities, and conclude with thoughts on the future of large scale computing in accelerator physics.

Elementary Computer Literacy. Student Activity Handbook.

ERIC Educational Resources Information Center

Sather, Ruth; And Others

This workbook of ideas and activities is designed for use in correlation with the curriculum guide "Elementary Computer Literacy," which contains the answer key and suggestions for use. The Apple II microcomputer is used as an example, but the material is adaptable to other computer models. Varied activities provide practice in drawing,…

Modelling of thick composites using a layerwise laminate theory

NASA Technical Reports Server (NTRS)

Robbins, D. H., Jr.; Reddy, J. N.

1993-01-01

The layerwise laminate theory of Reddy (1987) is used to develop a layerwise, two-dimensional, displacement-based, finite element model of laminated composite plates that assumes a piecewise continuous distribution of the tranverse strains through the laminate thickness. The resulting layerwise finite element model is capable of computing interlaminar stresses and other localized effects with the same level of accuracy as a conventional 3D finite element model. Although the total number of degrees of freedom are comparable in both models, the layerwise model maintains a 2D-type data structure that provides several advantages over a conventional 3D finite element model, e.g. simplified input data, ease of mesh alteration, and faster element stiffness matrix formulation. Two sample problems are provided to illustrate the accuracy of the present model in computing interlaminar stresses for laminates in bending and extension.

Analytical modeling and feasibility study of a multi-GPU cloud-based server (MGCS) framework for non-voxel-based dose calculations.

PubMed

Neylon, J; Min, Y; Kupelian, P; Low, D A; Santhanam, A

2017-04-01

In this paper, a multi-GPU cloud-based server (MGCS) framework is presented for dose calculations, exploring the feasibility of remote computing power for parallelization and acceleration of computationally and time intensive radiotherapy tasks in moving toward online adaptive therapies. An analytical model was developed to estimate theoretical MGCS performance acceleration and intelligently determine workload distribution. Numerical studies were performed with a computing setup of 14 GPUs distributed over 4 servers interconnected by a 1 Gigabits per second (Gbps) network. Inter-process communication methods were optimized to facilitate resource distribution and minimize data transfers over the server interconnect. The analytically predicted computation time predicted matched experimentally observations within 1-5 %. MGCS performance approached a theoretical limit of acceleration proportional to the number of GPUs utilized when computational tasks far outweighed memory operations. The MGCS implementation reproduced ground-truth dose computations with negligible differences, by distributing the work among several processes and implemented optimization strategies. The results showed that a cloud-based computation engine was a feasible solution for enabling clinics to make use of fast dose calculations for advanced treatment planning and adaptive radiotherapy. The cloud-based system was able to exceed the performance of a local machine even for optimized calculations, and provided significant acceleration for computationally intensive tasks. Such a framework can provide access to advanced technology and computational methods to many clinics, providing an avenue for standardization across institutions without the requirements of purchasing, maintaining, and continually updating hardware.

Computational modeling of brain tumors: discrete, continuum or hybrid?

NASA Astrophysics Data System (ADS)

Wang, Zhihui; Deisboeck, Thomas S.

In spite of all efforts, patients diagnosed with highly malignant brain tumors (gliomas), continue to face a grim prognosis. Achieving significant therapeutic advances will also require a more detailed quantitative understanding of the dynamic interactions among tumor cells, and between these cells and their biological microenvironment. Data-driven computational brain tumor models have the potential to provide experimental tumor biologists with such quantitative and cost-efficient tools to generate and test hypotheses on tumor progression, and to infer fundamental operating principles governing bidirectional signal propagation in multicellular cancer systems. This review highlights the modeling objectives of and challenges with developing such in silico brain tumor models by outlining two distinct computational approaches: discrete and continuum, each with representative examples. Future directions of this integrative computational neuro-oncology field, such as hybrid multiscale multiresolution modeling are discussed.

Computational modeling of brain tumors: discrete, continuum or hybrid?

NASA Astrophysics Data System (ADS)

Wang, Zhihui; Deisboeck, Thomas S.

2008-04-01

In spite of all efforts, patients diagnosed with highly malignant brain tumors (gliomas), continue to face a grim prognosis. Achieving significant therapeutic advances will also require a more detailed quantitative understanding of the dynamic interactions among tumor cells, and between these cells and their biological microenvironment. Data-driven computational brain tumor models have the potential to provide experimental tumor biologists with such quantitative and cost-efficient tools to generate and test hypotheses on tumor progression, and to infer fundamental operating principles governing bidirectional signal propagation in multicellular cancer systems. This review highlights the modeling objectives of and challenges with developing such in silicobrain tumor models by outlining two distinct computational approaches: discrete and continuum, each with representative examples. Future directions of this integrative computational neuro-oncology field, such as hybrid multiscale multiresolution modeling are discussed.

Statistical Techniques Complement UML When Developing Domain Models of Complex Dynamical Biosystems.

PubMed

Williams, Richard A; Timmis, Jon; Qwarnstrom, Eva E

2016-01-01

Computational modelling and simulation is increasingly being used to complement traditional wet-lab techniques when investigating the mechanistic behaviours of complex biological systems. In order to ensure computational models are fit for purpose, it is essential that the abstracted view of biology captured in the computational model, is clearly and unambiguously defined within a conceptual model of the biological domain (a domain model), that acts to accurately represent the biological system and to document the functional requirements for the resultant computational model. We present a domain model of the IL-1 stimulated NF-κB signalling pathway, which unambiguously defines the spatial, temporal and stochastic requirements for our future computational model. Through the development of this model, we observe that, in isolation, UML is not sufficient for the purpose of creating a domain model, and that a number of descriptive and multivariate statistical techniques provide complementary perspectives, in particular when modelling the heterogeneity of dynamics at the single-cell level. We believe this approach of using UML to define the structure and interactions within a complex system, along with statistics to define the stochastic and dynamic nature of complex systems, is crucial for ensuring that conceptual models of complex dynamical biosystems, which are developed using UML, are fit for purpose, and unambiguously define the functional requirements for the resultant computational model.

Statistical Techniques Complement UML When Developing Domain Models of Complex Dynamical Biosystems

PubMed Central

Timmis, Jon; Qwarnstrom, Eva E.

2016-01-01

Computational modelling and simulation is increasingly being used to complement traditional wet-lab techniques when investigating the mechanistic behaviours of complex biological systems. In order to ensure computational models are fit for purpose, it is essential that the abstracted view of biology captured in the computational model, is clearly and unambiguously defined within a conceptual model of the biological domain (a domain model), that acts to accurately represent the biological system and to document the functional requirements for the resultant computational model. We present a domain model of the IL-1 stimulated NF-κB signalling pathway, which unambiguously defines the spatial, temporal and stochastic requirements for our future computational model. Through the development of this model, we observe that, in isolation, UML is not sufficient for the purpose of creating a domain model, and that a number of descriptive and multivariate statistical techniques provide complementary perspectives, in particular when modelling the heterogeneity of dynamics at the single-cell level. We believe this approach of using UML to define the structure and interactions within a complex system, along with statistics to define the stochastic and dynamic nature of complex systems, is crucial for ensuring that conceptual models of complex dynamical biosystems, which are developed using UML, are fit for purpose, and unambiguously define the functional requirements for the resultant computational model. PMID:27571414

Contributions of Cognitive Science and Related Research on Learning to the Design of Computer Literacy Curricula. Report No. 81-1. Series in Learning and Cognition.

ERIC Educational Resources Information Center

Mayer, Richard E.

A review of the research on techniques for increasing the novice's understanding of computers and computer programming, this paper considers the potential usefulness of five tentative recommendations pertinent to the design of computer literacy curricula: (1) provide the learner with a concrete model of the computer; (2) encourage the learner to…

Beyond the Ask and Advise: Implementation of a Computer Tablet Intervention to Enhance Provider Adherence to the 5As for Smoking Cessation.

PubMed

Kalkhoran, Sara; Appelle, Nicole A; Napoles, Anna M; Munoz, Ricardo F; Lum, Paula J; Alvarado, Nicholas; Gregorich, Steven E; Satterfield, Jason M

2016-01-01

The 5As for smoking cessation is an evidence-based intervention to aid providers in counseling patients to quit smoking. While most providers "ask" patients about their tobacco use patterns and "advise" them to quit, fewer patients report being "assessed" for their interest in quitting, and even fewer report subsequent "assistance" in a quit attempt and having follow-up "arranged". This article describes the design of an implementation study testing a computer tablet intervention to improve provider adherence to the 5As for smoking cessation. Findings will contribute to the existing literature on technology acceptance for addressing addictive behaviors, and how digital tools may facilitate the broader implementation of evidence-based behavioral counseling practices without adversely affecting clinical flow or patient care. This project develops and tests a computer-facilitated 5As (CF-5As) model that administers the 5As intervention to patients with a computer tablet, then prompts providers to reinforce next steps. During the development phase, 5As' content will be programmed onto computer tablets, alpha and beta-testing of the service delivery model will be done, and pre-intervention interview and questionnaire data will be collected from patients, providers, and clinic staff about 5As fidelity and technology adoption. During the program evaluation phase, a randomized controlled trial comparing a group who receives the CF-5As intervention to one that does not will be conducted to assess 5As fidelity. Using the technology acceptance model, a mixed methods study of contextual and human factors influencing both 5As and technology adoption will also be conducted. Technology is increasingly being used in clinical settings. A technological tool that connects patients, providers, and clinic staff to facilitate the promotion of behavioral interventions such as smoking cessation may provide an innovative platform through which to efficiently and effectively implement evidence-based practices. Copyright © 2015 Elsevier Inc. All rights reserved.

Computational Flow Modeling of Human Upper Airway Breathing

NASA Astrophysics Data System (ADS)

Mylavarapu, Goutham

Computational modeling of biological systems have gained a lot of interest in biomedical research, in the recent past. This thesis focuses on the application of computational simulations to study airflow dynamics in human upper respiratory tract. With advancements in medical imaging, patient specific geometries of anatomically accurate respiratory tracts can now be reconstructed from Magnetic Resonance Images (MRI) or Computed Tomography (CT) scans, with better and accurate details than traditional cadaver cast models. Computational studies using these individualized geometrical models have advantages of non-invasiveness, ease, minimum patient interaction, improved accuracy over experimental and clinical studies. Numerical simulations can provide detailed flow fields including velocities, flow rates, airway wall pressure, shear stresses, turbulence in an airway. Interpretation of these physical quantities will enable to develop efficient treatment procedures, medical devices, targeted drug delivery etc. The hypothesis for this research is that computational modeling can predict the outcomes of a surgical intervention or a treatment plan prior to its application and will guide the physician in providing better treatment to the patients. In the current work, three different computational approaches Computational Fluid Dynamics (CFD), Flow-Structure Interaction (FSI) and Particle Flow simulations were used to investigate flow in airway geometries. CFD approach assumes airway wall as rigid, and relatively easy to simulate, compared to the more challenging FSI approach, where interactions of airway wall deformations with flow are also accounted. The CFD methodology using different turbulence models is validated against experimental measurements in an airway phantom. Two case-studies using CFD, to quantify a pre and post-operative airway and another, to perform virtual surgery to determine the best possible surgery in a constricted airway is demonstrated. The unsteady Large Eddy simulations (LES) and a steady Reynolds Averaged Navier Stokes (RANS) approaches in CFD modeling are discussed. The more challenging FSI approach is modeled first in simple two-dimensional anatomical geometry and then extended to simplified three dimensional geometry and finally in three dimensionally accurate geometries. The concepts of virtual surgery and the differences to CFD are discussed. Finally, the influence of various drug delivery parameters on particle deposition efficiency in airway anatomy are investigated through particle-flow simulations in a nasal airway model.

Models of protein–ligand crystal structures: trust, but verify

PubMed Central

Deller, Marc C.

2015-01-01

X-ray crystallography provides the most accurate models of protein–ligand structures. These models serve as the foundation of many computational methods including structure prediction, molecular modelling, and structure-based drug design. The success of these computational methods ultimately depends on the quality of the underlying protein–ligand models. X-ray crystallography offers the unparalleled advantage of a clear mathematical formalism relating the experimental data to the protein–ligand model. In the case of X-ray crystallography, the primary experimental evidence is the electron density of the molecules forming the crystal. The first step in the generation of an accurate and precise crystallographic model is the interpretation of the electron density of the crystal, typically carried out by construction of an atomic model. The atomic model must then be validated for fit to the experimental electron density and also for agreement with prior expectations of stereochemistry. Stringent validation of protein–ligand models has become possible as a result of the mandatory deposition of primary diffraction data, and many computational tools are now available to aid in the validation process. Validation of protein–ligand complexes has revealed some instances of overenthusiastic interpretation of ligand density. Fundamental concepts and metrics of protein–ligand quality validation are discussed and we highlight software tools to assist in this process. It is essential that end users select high quality protein–ligand models for their computational and biological studies, and we provide an overview of how this can be achieved. PMID:25665575

Models of protein-ligand crystal structures: trust, but verify.

PubMed

Deller, Marc C; Rupp, Bernhard

2015-09-01

X-ray crystallography provides the most accurate models of protein-ligand structures. These models serve as the foundation of many computational methods including structure prediction, molecular modelling, and structure-based drug design. The success of these computational methods ultimately depends on the quality of the underlying protein-ligand models. X-ray crystallography offers the unparalleled advantage of a clear mathematical formalism relating the experimental data to the protein-ligand model. In the case of X-ray crystallography, the primary experimental evidence is the electron density of the molecules forming the crystal. The first step in the generation of an accurate and precise crystallographic model is the interpretation of the electron density of the crystal, typically carried out by construction of an atomic model. The atomic model must then be validated for fit to the experimental electron density and also for agreement with prior expectations of stereochemistry. Stringent validation of protein-ligand models has become possible as a result of the mandatory deposition of primary diffraction data, and many computational tools are now available to aid in the validation process. Validation of protein-ligand complexes has revealed some instances of overenthusiastic interpretation of ligand density. Fundamental concepts and metrics of protein-ligand quality validation are discussed and we highlight software tools to assist in this process. It is essential that end users select high quality protein-ligand models for their computational and biological studies, and we provide an overview of how this can be achieved.

Bridging the Radiative Transfer Models for Meteorology and Solar Energy Applications

NASA Astrophysics Data System (ADS)

Xie, Y.; Sengupta, M.

2017-12-01

Radiative transfer models are used to compute solar radiation reaching the earth surface and play an important role in both meteorology and solar energy studies. Therefore, they are designed to meet the needs of specialized applications. For instance, radiative transfer models for meteorology seek to provide more accurate cloudy-sky radiation compared to models used in solar energy that are geared towards accuracy in clear-sky conditions associated with the maximum solar resource. However, models for solar energy applications are often computationally faster, as the complex solution of the radiative transfer equation is parameterized by atmospheric properties that can be acquired from surface- or satellite-based observations. This study introduces the National Renewable Energy Laboratory's (NREL's) recent efforts to combine the advantages of radiative transfer models designed for meteorology and solar energy applictions. A fast all-sky radiation model, FARMS-NIT, was developed to efficiently compute narrowband all-sky irradiances over inclined photovoltaic (PV) panels. This new model utilizes the optical preperties from a solar energy model, SMARTS, to computes surface radiation by considering all possible paths of photon transmission and the relevent scattering and absorption attenuation. For cloudy-sky conditions, cloud bidirectional transmittance functions (BTDFs) are provided by a precomputed lookup table (LUT) by LibRadtran. Our initial results indicate that FARMS-NIT has an accuracy that is similar to LibRadtran, a highly accurate multi-stream model, but is significantly more efficient. The development and validation of this model will be presented.

VizieR Online Data Catalog: Comparison of evolutionary tracks (Martins+, 2013)

NASA Astrophysics Data System (ADS)

Martins, F.; Palacios, A.

2013-11-01

Tables of evolutionary models for massive stars. The files m*_stol.dat correspond to models computed with the code STAREVOL. The files m*_mesa.dat correspond to models computed with the code MESA. For each code, models with initial masses equal to 7, 9, 15, 20, 25, 40 and 60M⊙ are provided. No rotation is included. The overshooting parameter f is equal to 0.01. The metallicity is solar. (14 data files).

Power combining in an array of microwave power rectifiers

NASA Technical Reports Server (NTRS)

Gutmann, R. J.; Borrego, J. M.

1979-01-01

This work analyzes the resultant efficiency degradation when identical rectifiers operate at different RF power levels as caused by the power beam taper. Both a closed-form analytical circuit model and a detailed computer-simulation model are used to obtain the output dc load line of the rectifier. The efficiency degradation is nearly identical with series and parallel combining, and the closed-form analytical model provides results which are similar to the detailed computer-simulation model.

Bayesian Latent Class Analysis Tutorial.

PubMed

Li, Yuelin; Lord-Bessen, Jennifer; Shiyko, Mariya; Loeb, Rebecca

2018-01-01

This article is a how-to guide on Bayesian computation using Gibbs sampling, demonstrated in the context of Latent Class Analysis (LCA). It is written for students in quantitative psychology or related fields who have a working knowledge of Bayes Theorem and conditional probability and have experience in writing computer programs in the statistical language R . The overall goals are to provide an accessible and self-contained tutorial, along with a practical computation tool. We begin with how Bayesian computation is typically described in academic articles. Technical difficulties are addressed by a hypothetical, worked-out example. We show how Bayesian computation can be broken down into a series of simpler calculations, which can then be assembled together to complete a computationally more complex model. The details are described much more explicitly than what is typically available in elementary introductions to Bayesian modeling so that readers are not overwhelmed by the mathematics. Moreover, the provided computer program shows how Bayesian LCA can be implemented with relative ease. The computer program is then applied in a large, real-world data set and explained line-by-line. We outline the general steps in how to extend these considerations to other methodological applications. We conclude with suggestions for further readings.

The DoD's High Performance Computing Modernization Program - Ensuing the National Earth Systems Prediction Capability Becomes Operational

NASA Astrophysics Data System (ADS)

Burnett, W.

2016-12-01

The Department of Defense's (DoD) High Performance Computing Modernization Program (HPCMP) provides high performance computing to address the most significant challenges in computational resources, software application support and nationwide research and engineering networks. Today, the HPCMP has a critical role in ensuring the National Earth System Prediction Capability (N-ESPC) achieves initial operational status in 2019. A 2015 study commissioned by the HPCMP found that N-ESPC computational requirements will exceed interconnect bandwidth capacity due to the additional load from data assimilation and passing connecting data between ensemble codes. Memory bandwidth and I/O bandwidth will continue to be significant bottlenecks for the Navy's Hybrid Coordinate Ocean Model (HYCOM) scalability - by far the major driver of computing resource requirements in the N-ESPC. The study also found that few of the N-ESPC model developers have detailed plans to ensure their respective codes scale through 2024. Three HPCMP initiatives are designed to directly address and support these issues: Productivity Enhancement, Technology, Transfer and Training (PETTT), the HPCMP Applications Software Initiative (HASI), and Frontier Projects. PETTT supports code conversion by providing assistance, expertise and training in scalable and high-end computing architectures. HASI addresses the continuing need for modern application software that executes effectively and efficiently on next-generation high-performance computers. Frontier Projects enable research and development that could not be achieved using typical HPCMP resources by providing multi-disciplinary teams access to exceptional amounts of high performance computing resources. Finally, the Navy's DoD Supercomputing Resource Center (DSRC) currently operates a 6 Petabyte system, of which Naval Oceanography receives 15% of operational computational system use, or approximately 1 Petabyte of the processing capability. The DSRC will provide the DoD with future computing assets to initially operate the N-ESPC in 2019. This talk will further describe how DoD's HPCMP will ensure N-ESPC becomes operational, efficiently and effectively, using next-generation high performance computing.

Computational Phenotyping in Psychiatry: A Worked Example

PubMed Central

2016-01-01

Abstract Computational psychiatry is a rapidly emerging field that uses model-based quantities to infer the behavioral and neuronal abnormalities that underlie psychopathology. If successful, this approach promises key insights into (pathological) brain function as well as a more mechanistic and quantitative approach to psychiatric nosology—structuring therapeutic interventions and predicting response and relapse. The basic procedure in computational psychiatry is to build a computational model that formalizes a behavioral or neuronal process. Measured behavioral (or neuronal) responses are then used to infer the model parameters of a single subject or a group of subjects. Here, we provide an illustrative overview over this process, starting from the modeling of choice behavior in a specific task, simulating data, and then inverting that model to estimate group effects. Finally, we illustrate cross-validation to assess whether between-subject variables (e.g., diagnosis) can be recovered successfully. Our worked example uses a simple two-step maze task and a model of choice behavior based on (active) inference and Markov decision processes. The procedural steps and routines we illustrate are not restricted to a specific field of research or particular computational model but can, in principle, be applied in many domains of computational psychiatry. PMID:27517087

Computational Phenotyping in Psychiatry: A Worked Example.

PubMed

Schwartenbeck, Philipp; Friston, Karl

2016-01-01

Computational psychiatry is a rapidly emerging field that uses model-based quantities to infer the behavioral and neuronal abnormalities that underlie psychopathology. If successful, this approach promises key insights into (pathological) brain function as well as a more mechanistic and quantitative approach to psychiatric nosology-structuring therapeutic interventions and predicting response and relapse. The basic procedure in computational psychiatry is to build a computational model that formalizes a behavioral or neuronal process. Measured behavioral (or neuronal) responses are then used to infer the model parameters of a single subject or a group of subjects. Here, we provide an illustrative overview over this process, starting from the modeling of choice behavior in a specific task, simulating data, and then inverting that model to estimate group effects. Finally, we illustrate cross-validation to assess whether between-subject variables (e.g., diagnosis) can be recovered successfully. Our worked example uses a simple two-step maze task and a model of choice behavior based on (active) inference and Markov decision processes. The procedural steps and routines we illustrate are not restricted to a specific field of research or particular computational model but can, in principle, be applied in many domains of computational psychiatry.

Multi-scale modeling in cell biology

PubMed Central

Meier-Schellersheim, Martin; Fraser, Iain D. C.; Klauschen, Frederick

2009-01-01

Biomedical research frequently involves performing experiments and developing hypotheses that link different scales of biological systems such as, for instance, the scales of intracellular molecular interactions to the scale of cellular behavior and beyond to the behavior of cell populations. Computational modeling efforts that aim at exploring such multi-scale systems quantitatively with the help of simulations have to incorporate several different simulation techniques due to the different time and space scales involved. Here, we provide a non-technical overview of how different scales of experimental research can be combined with the appropriate computational modeling techniques. We also show that current modeling software permits building and simulating multi-scale models without having to become involved with the underlying technical details of computational modeling. PMID:20448808

Development of computational small animal models and their applications in preclinical imaging and therapy research

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

Xie, Tianwu; Zaidi, Habib, E-mail: habib.zaidi@hcuge.ch; Geneva Neuroscience Center, Geneva University, Geneva CH-1205

The development of multimodality preclinical imaging techniques and the rapid growth of realistic computer simulation tools have promoted the construction and application of computational laboratory animal models in preclinical research. Since the early 1990s, over 120 realistic computational animal models have been reported in the literature and used as surrogates to characterize the anatomy of actual animals for the simulation of preclinical studies involving the use of bioluminescence tomography, fluorescence molecular tomography, positron emission tomography, single-photon emission computed tomography, microcomputed tomography, magnetic resonance imaging, and optical imaging. Other applications include electromagnetic field simulation, ionizing and nonionizing radiation dosimetry, and themore » development and evaluation of new methodologies for multimodality image coregistration, segmentation, and reconstruction of small animal images. This paper provides a comprehensive review of the history and fundamental technologies used for the development of computational small animal models with a particular focus on their application in preclinical imaging as well as nonionizing and ionizing radiation dosimetry calculations. An overview of the overall process involved in the design of these models, including the fundamental elements used for the construction of different types of computational models, the identification of original anatomical data, the simulation tools used for solving various computational problems, and the applications of computational animal models in preclinical research. The authors also analyze the characteristics of categories of computational models (stylized, voxel-based, and boundary representation) and discuss the technical challenges faced at the present time as well as research needs in the future.« less

Hybrid cloud: bridging of private and public cloud computing

NASA Astrophysics Data System (ADS)

Aryotejo, Guruh; Kristiyanto, Daniel Y.; Mufadhol

2018-05-01

Cloud Computing is quickly emerging as a promising paradigm in the recent years especially for the business sector. In addition, through cloud service providers, cloud computing is widely used by Information Technology (IT) based startup company to grow their business. However, the level of most businesses awareness on data security issues is low, since some Cloud Service Provider (CSP) could decrypt their data. Hybrid Cloud Deployment Model (HCDM) has characteristic as open source, which is one of secure cloud computing model, thus HCDM may solve data security issues. The objective of this study is to design, deploy and evaluate a HCDM as Infrastructure as a Service (IaaS). In the implementation process, Metal as a Service (MAAS) engine was used as a base to build an actual server and node. Followed by installing the vsftpd application, which serves as FTP server. In comparison with HCDM, public cloud was adopted through public cloud interface. As a result, the design and deployment of HCDM was conducted successfully, instead of having good security, HCDM able to transfer data faster than public cloud significantly. To the best of our knowledge, Hybrid Cloud Deployment model is one of secure cloud computing model due to its characteristic as open source. Furthermore, this study will serve as a base for future studies about Hybrid Cloud Deployment model which may relevant for solving big security issues of IT-based startup companies especially in Indonesia.

TethysCluster: A comprehensive approach for harnessing cloud resources for hydrologic modeling

NASA Astrophysics Data System (ADS)

Nelson, J.; Jones, N.; Ames, D. P.

2015-12-01

Advances in water resources modeling are improving the information that can be supplied to support decisions affecting the safety and sustainability of society. However, as water resources models become more sophisticated and data-intensive they require more computational power to run. Purchasing and maintaining the computing facilities needed to support certain modeling tasks has been cost-prohibitive for many organizations. With the advent of the cloud, the computing resources needed to address this challenge are now available and cost-effective, yet there still remains a significant technical barrier to leverage these resources. This barrier inhibits many decision makers and even trained engineers from taking advantage of the best science and tools available. Here we present the Python tools TethysCluster and CondorPy, that have been developed to lower the barrier to model computation in the cloud by providing (1) programmatic access to dynamically scalable computing resources, (2) a batch scheduling system to queue and dispatch the jobs to the computing resources, (3) data management for job inputs and outputs, and (4) the ability to dynamically create, submit, and monitor computing jobs. These Python tools leverage the open source, computing-resource management, and job management software, HTCondor, to offer a flexible and scalable distributed-computing environment. While TethysCluster and CondorPy can be used independently to provision computing resources and perform large modeling tasks, they have also been integrated into Tethys Platform, a development platform for water resources web apps, to enable computing support for modeling workflows and decision-support systems deployed as web apps.

An Overview of Spray Modeling With OpenNCC and its Application to Emissions Predictions of a LDI Combustor at High Pressure

NASA Technical Reports Server (NTRS)

Raju, M. S.

2016-01-01

The open national combustion code (Open- NCC) is developed with the aim of advancing the current multi-dimensional computational tools used in the design of advanced technology combustors. In this paper we provide an overview of the spray module, LSPRAY-V, developed as a part of this effort. The spray solver is mainly designed to predict the flow, thermal, and transport properties of a rapidly evaporating multi-component liquid spray. The modeling approach is applicable over a wide-range of evaporating conditions (normal, superheat, and supercritical). The modeling approach is based on several well-established atomization, vaporization, and wall/droplet impingement models. It facilitates large-scale combustor computations through the use of massively parallel computers with the ability to perform the computations on either structured & unstructured grids. The spray module has a multi-liquid and multi-injector capability, and can be used in the calculation of both steady and unsteady computations. We conclude the paper by providing the results for a reacting spray generated by a single injector element with 600 axially swept swirler vanes. It is a configuration based on the next-generation lean-direct injection (LDI) combustor concept. The results include comparisons for both combustor exit temperature and EINOX at three different fuel/air ratios.

Cognitive computing and eScience in health and life science research: artificial intelligence and obesity intervention programs.

PubMed

Marshall, Thomas; Champagne-Langabeer, Tiffiany; Castelli, Darla; Hoelscher, Deanna

2017-12-01

To present research models based on artificial intelligence and discuss the concept of cognitive computing and eScience as disruptive factors in health and life science research methodologies. The paper identifies big data as a catalyst to innovation and the development of artificial intelligence, presents a framework for computer-supported human problem solving and describes a transformation of research support models. This framework includes traditional computer support; federated cognition using machine learning and cognitive agents to augment human intelligence; and a semi-autonomous/autonomous cognitive model, based on deep machine learning, which supports eScience. The paper provides a forward view of the impact of artificial intelligence on our human-computer support and research methods in health and life science research. By augmenting or amplifying human task performance with artificial intelligence, cognitive computing and eScience research models are discussed as novel and innovative systems for developing more effective adaptive obesity intervention programs.

Development of a Modular, Provider Customized Airway Trainer

DTIC Science & Technology

2015-11-25

Instructions for Airway Model with sensors and computer ( Raspberry PI ) ........................................ 31 Appendix B: Instructions for...Appendix A: Instructions for Airway Model with sensors and computer ( Raspberry PI ) RASPBERRY PI INSTRUCTIONS 1. Connect multicolor sensor...cable and two blue sensor cables (blue sensor cable orientation does not matter) 2. Plug in power to the screen and raspberry pi ( two separate

50 Years of Army Computing From ENIAC to MSRC

DTIC Science & Technology

2000-09-01

processing capability. The scientifi c visualization program was started in 1984 to provide tools and expertise to help researchers graphically...and materials, forces modeling, nanoelectronics, electromagnetics and acoustics, signal image processing , and simulation and modeling. The ARL...mechanical and electrical calculating equipment, punch card data processing equipment, analog computers, and early digital machines. Before beginning, we

An Analysis of Computer-Mediated Communication between Middle School Students and Scientist Role Models: A Pilot Study.

ERIC Educational Resources Information Center

Murfin, Brian

1994-01-01

Reports on a study of the effectiveness of computer-mediated communication (CMC) in providing African American and female middle school students with scientist role models. Quantitative and qualitative data gathered by analyzing messages students and scientists posted on a shared electronic bulletin board showed that CMC could be an effective…

Next Generation Distributed Computing for Cancer Research

PubMed Central

Agarwal, Pankaj; Owzar, Kouros

2014-01-01

Advances in next generation sequencing (NGS) and mass spectrometry (MS) technologies have provided many new opportunities and angles for extending the scope of translational cancer research while creating tremendous challenges in data management and analysis. The resulting informatics challenge is invariably not amenable to the use of traditional computing models. Recent advances in scalable computing and associated infrastructure, particularly distributed computing for Big Data, can provide solutions for addressing these challenges. In this review, the next generation of distributed computing technologies that can address these informatics problems is described from the perspective of three key components of a computational platform, namely computing, data storage and management, and networking. A broad overview of scalable computing is provided to set the context for a detailed description of Hadoop, a technology that is being rapidly adopted for large-scale distributed computing. A proof-of-concept Hadoop cluster, set up for performance benchmarking of NGS read alignment, is described as an example of how to work with Hadoop. Finally, Hadoop is compared with a number of other current technologies for distributed computing. PMID:25983539

Next generation distributed computing for cancer research.

PubMed

Agarwal, Pankaj; Owzar, Kouros

2014-01-01

Advances in next generation sequencing (NGS) and mass spectrometry (MS) technologies have provided many new opportunities and angles for extending the scope of translational cancer research while creating tremendous challenges in data management and analysis. The resulting informatics challenge is invariably not amenable to the use of traditional computing models. Recent advances in scalable computing and associated infrastructure, particularly distributed computing for Big Data, can provide solutions for addressing these challenges. In this review, the next generation of distributed computing technologies that can address these informatics problems is described from the perspective of three key components of a computational platform, namely computing, data storage and management, and networking. A broad overview of scalable computing is provided to set the context for a detailed description of Hadoop, a technology that is being rapidly adopted for large-scale distributed computing. A proof-of-concept Hadoop cluster, set up for performance benchmarking of NGS read alignment, is described as an example of how to work with Hadoop. Finally, Hadoop is compared with a number of other current technologies for distributed computing.

Some Programs Should Not Run on Laptops - Providing Programmatic Access to Applications Via Web Services

NASA Astrophysics Data System (ADS)

Gupta, V.; Gupta, N.; Gupta, S.; Field, E.; Maechling, P.

2003-12-01

Modern laptop computers, and personal computers, can provide capabilities that are, in many ways, comparable to workstations or departmental servers. However, this doesn't mean we should run all computations on our local computers. We have identified several situations in which it preferable to implement our seismological application programs in a distributed, server-based, computing model. In this model, application programs on the user's laptop, or local computer, invoke programs that run on an organizational server, and the results are returned to the invoking system. Situations in which a server-based architecture may be preferred include: (a) a program is written in a language, or written for an operating environment, that is unsupported on the local computer, (b) software libraries or utilities required to execute a program are not available on the users computer, (c) a computational program is physically too large, or computationally too expensive, to run on a users computer, (d) a user community wants to enforce a consistent method of performing a computation by standardizing on a single implementation of a program, and (e) the computational program may require current information, that is not available to all client computers. Until recently, distributed, server-based, computational capabilities were implemented using client/server architectures. In these architectures, client programs were often written in the same language, and they executed in the same computing environment, as the servers. Recently, a new distributed computational model, called Web Services, has been developed. Web Services are based on Internet standards such as XML, SOAP, WDSL, and UDDI. Web Services offer the promise of platform, and language, independent distributed computing. To investigate this new computational model, and to provide useful services to the SCEC Community, we have implemented several computational and utility programs using a Web Service architecture. We have hosted these Web Services as a part of the SCEC Community Modeling Environment (SCEC/CME) ITR Project (http://www.scec.org/cme). We have implemented Web Services for several of the reasons sited previously. For example, we implemented a FORTRAN-based Earthquake Rupture Forecast (ERF) as a Web Service for use by client computers that don't support a FORTRAN runtime environment. We implemented a Generic Mapping Tool (GMT) Web Service for use by systems that don't have local access to GMT. We implemented a Hazard Map Calculator Web Service to execute Hazard calculations that are too computationally intensive to run on a local system. We implemented a Coordinate Conversion Web Service to enforce a standard and consistent method for converting between UTM and Lat/Lon. Our experience developing these services indicates both strengths and weakness in current Web Service technology. Client programs that utilize Web Services typically need network access, a significant disadvantage at times. Programs with simple input and output parameters were the easiest to implement as Web Services, while programs with complex parameter-types required a significant amount of additional development. We also noted that Web services are very data-oriented, and adapting object-oriented software into the Web Service model proved problematic. Also, the Web Service approach of converting data types into XML format for network transmission has significant inefficiencies for some data sets.

Using the cloud to speed-up calibration of watershed-scale hydrologic models (Invited)

NASA Astrophysics Data System (ADS)

Goodall, J. L.; Ercan, M. B.; Castronova, A. M.; Humphrey, M.; Beekwilder, N.; Steele, J.; Kim, I.

2013-12-01

This research focuses on using the cloud to address computational challenges associated with hydrologic modeling. One example is calibration of a watershed-scale hydrologic model, which can take days of execution time on typical computers. While parallel algorithms for model calibration exist and some researchers have used multi-core computers or clusters to run these algorithms, these solutions do not fully address the challenge because (i) calibration can still be too time consuming even on multicore personal computers and (ii) few in the community have the time and expertise needed to manage a compute cluster. Given this, another option for addressing this challenge that we are exploring through this work is the use of the cloud for speeding-up calibration of watershed-scale hydrologic models. The cloud used in this capacity provides a means for renting a specific number and type of machines for only the time needed to perform a calibration model run. The cloud allows one to precisely balance the duration of the calibration with the financial costs so that, if the budget allows, the calibration can be performed more quickly by renting more machines. Focusing specifically on the SWAT hydrologic model and a parallel version of the DDS calibration algorithm, we show significant speed-up time across a range of watershed sizes using up to 256 cores to perform a model calibration. The tool provides a simple web-based user interface and the ability to monitor the calibration job submission process during the calibration process. Finally this talk concludes with initial work to leverage the cloud for other tasks associated with hydrologic modeling including tasks related to preparing inputs for constructing place-based hydrologic models.

A computational model of selection by consequences.

PubMed

McDowell, J J

2004-05-01

Darwinian selection by consequences was instantiated in a computational model that consisted of a repertoire of behaviors undergoing selection, reproduction, and mutation over many generations. The model in effect created a digital organism that emitted behavior continuously. The behavior of this digital organism was studied in three series of computational experiments that arranged reinforcement according to random-interval (RI) schedules. The quantitative features of the model were varied over wide ranges in these experiments, and many of the qualitative features of the model also were varied. The digital organism consistently showed a hyperbolic relation between response and reinforcement rates, and this hyperbolic description of the data was consistently better than the description provided by other, similar, function forms. In addition, the parameters of the hyperbola varied systematically with the quantitative, and some of the qualitative, properties of the model in ways that were consistent with findings from biological organisms. These results suggest that the material events responsible for an organism's responding on RI schedules are computationally equivalent to Darwinian selection by consequences. They also suggest that the computational model developed here is worth pursuing further as a possible dynamic account of behavior.

A Computing Infrastructure for Supporting Climate Studies

NASA Astrophysics Data System (ADS)

Yang, C.; Bambacus, M.; Freeman, S. M.; Huang, Q.; Li, J.; Sun, M.; Xu, C.; Wojcik, G. S.; Cahalan, R. F.; NASA Climate @ Home Project Team

2011-12-01

Climate change is one of the major challenges facing us on the Earth planet in the 21st century. Scientists build many models to simulate the past and predict the climate change for the next decades or century. Most of the models are at a low resolution with some targeting high resolution in linkage to practical climate change preparedness. To calibrate and validate the models, millions of model runs are needed to find the best simulation and configuration. This paper introduces the NASA effort on Climate@Home project to build a supercomputer based-on advanced computing technologies, such as cloud computing, grid computing, and others. Climate@Home computing infrastructure includes several aspects: 1) a cloud computing platform is utilized to manage the potential spike access to the centralized components, such as grid computing server for dispatching and collecting models runs results; 2) a grid computing engine is developed based on MapReduce to dispatch models, model configuration, and collect simulation results and contributing statistics; 3) a portal serves as the entry point for the project to provide the management, sharing, and data exploration for end users; 4) scientists can access customized tools to configure model runs and visualize model results; 5) the public can access twitter and facebook to get the latest about the project. This paper will introduce the latest progress of the project and demonstrate the operational system during the AGU fall meeting. It will also discuss how this technology can become a trailblazer for other climate studies and relevant sciences. It will share how the challenges in computation and software integration were solved.

Wind Tunnel Model Design for Sonic Boom Studies of Nozzle Jet Flows with Shock Interactions

NASA Technical Reports Server (NTRS)

Cliff, Susan E.; Denison, Marie; Moini-Yekta, Shayan; Morr, Donald E.; Durston, Donald A.

2016-01-01

NASA and the U.S. aerospace industry are performing studies of supersonic aircraft concepts with low sonic boom pressure signatures. The computational analyses of modern aircraft designs have matured to the point where there is confidence in the prediction of the pressure signature from the front of the vehicle, but uncertainty remains in the aft signatures due to boundary layer and nozzle exhaust jet effects. Wind tunnel testing without inlet and nozzle exhaust jet effects at lower Reynolds numbers than in-flight make it difficult to accurately assess the computational solutions of flight vehicles. A wind tunnel test in the NASA Ames 9- by 7-Foot Supersonic Wind Tunnel is planned for February 2016 to address the nozzle jet effects on sonic boom. The experiment will provide pressure signatures of test articles that replicate waveforms from aircraft wings, tails, and aft fuselage (deck) components after passing through cold nozzle jet plumes. The data will provide a variety of nozzle plume and shock interactions for comparison with computational results. A large number of high-fidelity numerical simulations of a variety of shock generators were evaluated to define a reduced collection of suitable test models. The computational results of the candidate wind tunnel test models as they evolved are summarized, and pre-test computations of the final designs are provided.

A computer program for modeling non-spherical eclipsing binary star systems

NASA Technical Reports Server (NTRS)

Wood, D. B.

1972-01-01

The accurate analysis of eclipsing binary light curves is fundamental to obtaining information on the physical properties of stars. The model described accounts for the important geometric and photometric distortions such as rotational and tidal distortion, gravity brightening, and reflection effect. This permits a more accurate analysis of interacting eclipsing star systems. The model is designed to be useful to anyone with moderate computing resources. The programs, written in FORTRAN 4 for the IBM 360, consume about 80k bytes of core. The FORTRAN program listings are provided, and the computational aspects are described in some detail.

A model for the control mode man-computer interface dialogue

NASA Technical Reports Server (NTRS)

Chafin, R. L.

1981-01-01

A four stage model is presented for the control mode man-computer interface dialogue. It consists of context development, semantic development syntactic development, and command execution. Each stage is discussed in terms of the operator skill levels (naive, novice, competent, and expert) and pertinent human factors issues. These issues are human problem solving, human memory, and schemata. The execution stage is discussed in terms of the operators typing skills. This model provides an understanding of the human process in command mode activity for computer systems and a foundation for relating system characteristics to operator characteristics.

Image-based models of cardiac structure in health and disease

PubMed Central

Vadakkumpadan, Fijoy; Arevalo, Hermenegild; Prassl, Anton J.; Chen, Junjie; Kickinger, Ferdinand; Kohl, Peter; Plank, Gernot; Trayanova, Natalia

2010-01-01

Computational approaches to investigating the electromechanics of healthy and diseased hearts are becoming essential for the comprehensive understanding of cardiac function. In this article, we first present a brief review of existing image-based computational models of cardiac structure. We then provide a detailed explanation of a processing pipeline which we have recently developed for constructing realistic computational models of the heart from high resolution structural and diffusion tensor (DT) magnetic resonance (MR) images acquired ex vivo. The presentation of the pipeline incorporates a review of the methodologies that can be used to reconstruct models of cardiac structure. In this pipeline, the structural image is segmented to reconstruct the ventricles, normal myocardium, and infarct. A finite element mesh is generated from the segmented structural image, and fiber orientations are assigned to the elements based on DTMR data. The methods were applied to construct seven different models of healthy and diseased hearts. These models contain millions of elements, with spatial resolutions in the order of hundreds of microns, providing unprecedented detail in the representation of cardiac structure for simulation studies. PMID:20582162

Representing nursing guideline with unified modeling language to facilitate development of a computer system: a case study.

PubMed

Choi, Jeeyae; Choi, Jeungok E

2014-01-01

To provide best recommendations at the point of care, guidelines have been implemented in computer systems. As a prerequisite, guidelines are translated into a computer-interpretable guideline format. Since there are no specific tools to translate nursing guidelines, only a few nursing guidelines are translated and implemented in computer systems. Unified modeling language (UML) is a software writing language and is known to well and accurately represent end-users' perspective, due to the expressive characteristics of the UML. In order to facilitate the development of computer systems for nurses' use, the UML was used to translate a paper-based nursing guideline, and its ease of use and the usefulness were tested through a case study of a genetic counseling guideline. The UML was found to be a useful tool to nurse informaticians and a sufficient tool to model a guideline in a computer program.

Utilizing Adjoint-Based Error Estimates for Surrogate Models to Accurately Predict Probabilities of Events

DOE PAGES

Butler, Troy; Wildey, Timothy

2018-01-01

In thist study, we develop a procedure to utilize error estimates for samples of a surrogate model to compute robust upper and lower bounds on estimates of probabilities of events. We show that these error estimates can also be used in an adaptive algorithm to simultaneously reduce the computational cost and increase the accuracy in estimating probabilities of events using computationally expensive high-fidelity models. Specifically, we introduce the notion of reliability of a sample of a surrogate model, and we prove that utilizing the surrogate model for the reliable samples and the high-fidelity model for the unreliable samples gives preciselymore » the same estimate of the probability of the output event as would be obtained by evaluation of the original model for each sample. The adaptive algorithm uses the additional evaluations of the high-fidelity model for the unreliable samples to locally improve the surrogate model near the limit state, which significantly reduces the number of high-fidelity model evaluations as the limit state is resolved. Numerical results based on a recently developed adjoint-based approach for estimating the error in samples of a surrogate are provided to demonstrate (1) the robustness of the bounds on the probability of an event, and (2) that the adaptive enhancement algorithm provides a more accurate estimate of the probability of the QoI event than standard response surface approximation methods at a lower computational cost.« less

Utilizing Adjoint-Based Error Estimates for Surrogate Models to Accurately Predict Probabilities of Events

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

Butler, Troy; Wildey, Timothy

In thist study, we develop a procedure to utilize error estimates for samples of a surrogate model to compute robust upper and lower bounds on estimates of probabilities of events. We show that these error estimates can also be used in an adaptive algorithm to simultaneously reduce the computational cost and increase the accuracy in estimating probabilities of events using computationally expensive high-fidelity models. Specifically, we introduce the notion of reliability of a sample of a surrogate model, and we prove that utilizing the surrogate model for the reliable samples and the high-fidelity model for the unreliable samples gives preciselymore » the same estimate of the probability of the output event as would be obtained by evaluation of the original model for each sample. The adaptive algorithm uses the additional evaluations of the high-fidelity model for the unreliable samples to locally improve the surrogate model near the limit state, which significantly reduces the number of high-fidelity model evaluations as the limit state is resolved. Numerical results based on a recently developed adjoint-based approach for estimating the error in samples of a surrogate are provided to demonstrate (1) the robustness of the bounds on the probability of an event, and (2) that the adaptive enhancement algorithm provides a more accurate estimate of the probability of the QoI event than standard response surface approximation methods at a lower computational cost.« less

Mathematical and Computational Modeling in Complex Biological Systems

PubMed Central

Li, Wenyang; Zhu, Xiaoliang

2017-01-01

The biological process and molecular functions involved in the cancer progression remain difficult to understand for biologists and clinical doctors. Recent developments in high-throughput technologies urge the systems biology to achieve more precise models for complex diseases. Computational and mathematical models are gradually being used to help us understand the omics data produced by high-throughput experimental techniques. The use of computational models in systems biology allows us to explore the pathogenesis of complex diseases, improve our understanding of the latent molecular mechanisms, and promote treatment strategy optimization and new drug discovery. Currently, it is urgent to bridge the gap between the developments of high-throughput technologies and systemic modeling of the biological process in cancer research. In this review, we firstly studied several typical mathematical modeling approaches of biological systems in different scales and deeply analyzed their characteristics, advantages, applications, and limitations. Next, three potential research directions in systems modeling were summarized. To conclude, this review provides an update of important solutions using computational modeling approaches in systems biology. PMID:28386558

Mathematical and Computational Modeling in Complex Biological Systems.

PubMed

Ji, Zhiwei; Yan, Ke; Li, Wenyang; Hu, Haigen; Zhu, Xiaoliang

2017-01-01

The biological process and molecular functions involved in the cancer progression remain difficult to understand for biologists and clinical doctors. Recent developments in high-throughput technologies urge the systems biology to achieve more precise models for complex diseases. Computational and mathematical models are gradually being used to help us understand the omics data produced by high-throughput experimental techniques. The use of computational models in systems biology allows us to explore the pathogenesis of complex diseases, improve our understanding of the latent molecular mechanisms, and promote treatment strategy optimization and new drug discovery. Currently, it is urgent to bridge the gap between the developments of high-throughput technologies and systemic modeling of the biological process in cancer research. In this review, we firstly studied several typical mathematical modeling approaches of biological systems in different scales and deeply analyzed their characteristics, advantages, applications, and limitations. Next, three potential research directions in systems modeling were summarized. To conclude, this review provides an update of important solutions using computational modeling approaches in systems biology.

Neural Information Processing in Cognition: We Start to Understand the Orchestra, but Where is the Conductor?

PubMed Central

Palm, Günther

2016-01-01

Research in neural information processing has been successful in the past, providing useful approaches both to practical problems in computer science and to computational models in neuroscience. Recent developments in the area of cognitive neuroscience present new challenges for a computational or theoretical understanding asking for neural information processing models that fulfill criteria or constraints from cognitive psychology, neuroscience and computational efficiency. The most important of these criteria for the evaluation of present and future contributions to this new emerging field are listed at the end of this article. PMID:26858632

Machine Learning, deep learning and optimization in computer vision

NASA Astrophysics Data System (ADS)

Canu, Stéphane

2017-03-01

As quoted in the Large Scale Computer Vision Systems NIPS workshop, computer vision is a mature field with a long tradition of research, but recent advances in machine learning, deep learning, representation learning and optimization have provided models with new capabilities to better understand visual content. The presentation will go through these new developments in machine learning covering basic motivations, ideas, models and optimization in deep learning for computer vision, identifying challenges and opportunities. It will focus on issues related with large scale learning that is: high dimensional features, large variety of visual classes, and large number of examples.

Colour computer-generated holography for point clouds utilizing the Phong illumination model.

PubMed

Symeonidou, Athanasia; Blinder, David; Schelkens, Peter

2018-04-16

A technique integrating the bidirectional reflectance distribution function (BRDF) is proposed to generate realistic high-quality colour computer-generated holograms (CGHs). We build on prior work, namely a fast computer-generated holography method for point clouds that handles occlusions. We extend the method by integrating the Phong illumination model so that the properties of the objects' surfaces are taken into account to achieve natural light phenomena such as reflections and shadows. Our experiments show that rendering holograms with the proposed algorithm provides realistic looking objects without any noteworthy increase to the computational cost.

Future Approach to tier-0 extension

NASA Astrophysics Data System (ADS)

Jones, B.; McCance, G.; Cordeiro, C.; Giordano, D.; Traylen, S.; Moreno García, D.

2017-10-01

The current tier-0 processing at CERN is done on two managed sites, the CERN computer centre and the Wigner computer centre. With the proliferation of public cloud resources at increasingly competitive prices, we have been investigating how to transparently increase our compute capacity to include these providers. The approach taken has been to integrate these resources using our existing deployment and computer management tools and to provide them in a way that exposes them to users as part of the same site. The paper will describe the architecture, the toolset and the current production experiences of this model.

Aerothermodynamics of Blunt Body Entry Vehicles. Chapter 3

NASA Technical Reports Server (NTRS)

Hollis, Brian R.; Borrelli, Salvatore

2011-01-01

In this chapter, the aerothermodynamic phenomena of blunt body entry vehicles are discussed. Four topics will be considered that present challenges to current computational modeling techniques for blunt body environments: turbulent flow, non-equilibrium flow, rarefied flow, and radiation transport. Examples of comparisons between computational tools to ground and flight-test data will be presented in order to illustrate the challenges existing in the numerical modeling of each of these phenomena and to provide test cases for evaluation of Computational Fluid Dynamics (CFD) code predictions.

Aerothermodynamics of blunt body entry vehicles

NASA Astrophysics Data System (ADS)

Hollis, Brian R.; Borrelli, Salvatore

2012-01-01

In this chapter, the aerothermodynamic phenomena of blunt body entry vehicles are discussed. Four topics will be considered that present challenges to current computational modeling techniques for blunt body environments: turbulent flow, non-equilibrium flow, rarefied flow, and radiation transport. Examples of comparisons between computational tools to ground and flight-test data will be presented in order to illustrate the challenges existing in the numerical modeling of each of these phenomena and to provide test cases for evaluation of computational fluid dynamics (CFD) code predictions.

Heterotic computing: exploiting hybrid computational devices.

PubMed

Kendon, Viv; Sebald, Angelika; Stepney, Susan

2015-07-28

Current computational theory deals almost exclusively with single models: classical, neural, analogue, quantum, etc. In practice, researchers use ad hoc combinations, realizing only recently that they can be fundamentally more powerful than the individual parts. A Theo Murphy meeting brought together theorists and practitioners of various types of computing, to engage in combining the individual strengths to produce powerful new heterotic devices. 'Heterotic computing' is defined as a combination of two or more computational systems such that they provide an advantage over either substrate used separately. This post-meeting collection of articles provides a wide-ranging survey of the state of the art in diverse computational paradigms, together with reflections on their future combination into powerful and practical applications. © 2015 The Author(s) Published by the Royal Society. All rights reserved.

Chromatin Computation

PubMed Central

Bryant, Barbara

2012-01-01

In living cells, DNA is packaged along with protein and RNA into chromatin. Chemical modifications to nucleotides and histone proteins are added, removed and recognized by multi-functional molecular complexes. Here I define a new computational model, in which chromatin modifications are information units that can be written onto a one-dimensional string of nucleosomes, analogous to the symbols written onto cells of a Turing machine tape, and chromatin-modifying complexes are modeled as read-write rules that operate on a finite set of adjacent nucleosomes. I illustrate the use of this “chromatin computer” to solve an instance of the Hamiltonian path problem. I prove that chromatin computers are computationally universal – and therefore more powerful than the logic circuits often used to model transcription factor control of gene expression. Features of biological chromatin provide a rich instruction set for efficient computation of nontrivial algorithms in biological time scales. Modeling chromatin as a computer shifts how we think about chromatin function, suggests new approaches to medical intervention, and lays the groundwork for the engineering of a new class of biological computing machines. PMID:22567109

Theoretical modeling of magnesium ion imprints in the Raman scattering of water.

PubMed

Kapitán, Josef; Dracínský, Martin; Kaminský, Jakub; Benda, Ladislav; Bour, Petr

2010-03-18

Hydration envelopes of metallic ions significantly influence their chemical properties and biological functioning. Previous computational studies, nuclear magnetic resonance (NMR), and vibrational spectra indicated a strong affinity of the Mg(2+) cation to water. We find it interesting that, although monatomic ions do not vibrate themselves, they cause notable changes in the water Raman signal. Therefore, in this study, we used a combination of Raman spectroscopy and computer modeling to analyze the magnesium hydration shell and origin of the signal. In the measured spectra of several salts (LiCl, NaCl, KCl, MgCl(2), CaCl(2), MgBr(2), and MgI(2) water solutions), only the spectroscopic imprint of the hydrated Mg(2+) cation could clearly be identified as an exceptionally distinct peak at approximately 355 cm(-1). The assignment of this band to the Mg-O stretching motion could be confirmed on the basis of several models involving quantum chemical computations on metal/water clusters. Minor Raman spectral features could also be explained. Ab initio and Fourier transform (FT) techniques coupled with the Car-Parrinello molecular dynamics were adapted to provide the spectra from dynamical trajectories. The results suggest that even in concentrated solutions magnesium preferentially forms a [Mg(H(2)O)(6)](2+) complex of a nearly octahedral symmetry; nevertheless, the Raman signal is primarily associated with the relatively strong metal-H(2)O bond. Partially covalent character of the Mg-O bond was confirmed by a natural bond orbital analysis. Computations on hydrated chlorine anion did not provide a specific signal. The FT techniques gave good spectral profiles in the high-frequency region, whereas the lowest-wavenumber vibrations were better reproduced by the cluster models. Both dynamical and cluster computational models provided a useful link between spectral shapes and specific ion-water interactions.

Electromechanical models of the ventricles

PubMed Central

Constantino, Jason; Gurev, Viatcheslav

2011-01-01

Computational modeling has traditionally played an important role in dissecting the mechanisms for cardiac dysfunction. Ventricular electromechanical models, likely the most sophisticated virtual organs to date, integrate detailed information across the spatial scales of cardiac electrophysiology and mechanics and are capable of capturing the emergent behavior and the interaction between electrical activation and mechanical contraction of the heart. The goal of this review is to provide an overview of the latest advancements in multiscale electromechanical modeling of the ventricles. We first detail the general framework of multiscale ventricular electromechanical modeling and describe the state of the art in computational techniques and experimental validation approaches. The powerful utility of ventricular electromechanical models in providing a better understanding of cardiac function is then demonstrated by reviewing the latest insights obtained by these models, focusing primarily on the mechanisms by which mechanoelectric coupling contributes to ventricular arrythmogenesis, the relationship between electrical activation and mechanical contraction in the normal heart, and the mechanisms of mechanical dyssynchrony and resynchronization in the failing heart. Computational modeling of cardiac electromechanics will continue to complement basic science research and clinical cardiology and holds promise to become an important clinical tool aiding the diagnosis and treatment of cardiac disease. PMID:21572017

Nonlinear information fusion algorithms for data-efficient multi-fidelity modelling.

PubMed

Perdikaris, P; Raissi, M; Damianou, A; Lawrence, N D; Karniadakis, G E

2017-02-01

Multi-fidelity modelling enables accurate inference of quantities of interest by synergistically combining realizations of low-cost/low-fidelity models with a small set of high-fidelity observations. This is particularly effective when the low- and high-fidelity models exhibit strong correlations, and can lead to significant computational gains over approaches that solely rely on high-fidelity models. However, in many cases of practical interest, low-fidelity models can only be well correlated to their high-fidelity counterparts for a specific range of input parameters, and potentially return wrong trends and erroneous predictions if probed outside of their validity regime. Here we put forth a probabilistic framework based on Gaussian process regression and nonlinear autoregressive schemes that is capable of learning complex nonlinear and space-dependent cross-correlations between models of variable fidelity, and can effectively safeguard against low-fidelity models that provide wrong trends. This introduces a new class of multi-fidelity information fusion algorithms that provide a fundamental extension to the existing linear autoregressive methodologies, while still maintaining the same algorithmic complexity and overall computational cost. The performance of the proposed methods is tested in several benchmark problems involving both synthetic and real multi-fidelity datasets from computational fluid dynamics simulations.

CTserver: A Computational Thermodynamics Server for the Geoscience Community

NASA Astrophysics Data System (ADS)

Kress, V. C.; Ghiorso, M. S.

2006-12-01

The CTserver platform is an Internet-based computational resource that provides on-demand services in Computational Thermodynamics (CT) to a diverse geoscience user base. This NSF-supported resource can be accessed at ctserver.ofm-research.org. The CTserver infrastructure leverages a high-quality and rigorously tested software library of routines for computing equilibrium phase assemblages and for evaluating internally consistent thermodynamic properties of materials, e.g. mineral solid solutions and a variety of geological fluids, including magmas. Thermodynamic models are currently available for 167 phases. Recent additions include Duan, Møller and Weare's model for supercritical C-O-H-S, extended to include SO2 and S2 species, and an entirely new associated solution model for O-S-Fe-Ni sulfide liquids. This software library is accessed via the CORBA Internet protocol for client-server communication. CORBA provides a standardized, object-oriented, language and platform independent, fast, low-bandwidth interface to phase property modules running on the server cluster. Network transport, language translation and resource allocation are handled by the CORBA interface. Users access server functionality in two principal ways. Clients written as browser- based Java applets may be downloaded which provide specific functionality such as retrieval of thermodynamic properties of phases, computation of phase equilibria for systems of specified composition, or modeling the evolution of these systems along some particular reaction path. This level of user interaction requires minimal programming effort and is ideal for classroom use. A more universal and flexible mode of CTserver access involves making remote procedure calls from user programs directly to the server public interface. The CTserver infrastructure relieves the user of the burden of implementing and testing the often complex thermodynamic models of real liquids and solids. A pilot application of this distributed architecture involves CFD computation of magma convection at Volcan Villarrica with magma properties and phase proportions calculated at each spatial node and at each time step via distributed function calls to MELTS-objects executing on the CTserver. Documentation and programming examples are provided at http://ctserver.ofm- research.org.

Mind the Noise When Identifying Computational Models of Cognition from Brain Activity.

PubMed

Kolossa, Antonio; Kopp, Bruno

2016-01-01

The aim of this study was to analyze how measurement error affects the validity of modeling studies in computational neuroscience. A synthetic validity test was created using simulated P300 event-related potentials as an example. The model space comprised four computational models of single-trial P300 amplitude fluctuations which differed in terms of complexity and dependency. The single-trial fluctuation of simulated P300 amplitudes was computed on the basis of one of the models, at various levels of measurement error and at various numbers of data points. Bayesian model selection was performed based on exceedance probabilities. At very low numbers of data points, the least complex model generally outperformed the data-generating model. Invalid model identification also occurred at low levels of data quality and under low numbers of data points if the winning model's predictors were closely correlated with the predictors from the data-generating model. Given sufficient data quality and numbers of data points, the data-generating model could be correctly identified, even against models which were very similar to the data-generating model. Thus, a number of variables affects the validity of computational modeling studies, and data quality and numbers of data points are among the main factors relevant to the issue. Further, the nature of the model space (i.e., model complexity, model dependency) should not be neglected. This study provided quantitative results which show the importance of ensuring the validity of computational modeling via adequately prepared studies. The accomplishment of synthetic validity tests is recommended for future applications. Beyond that, we propose to render the demonstration of sufficient validity via adequate simulations mandatory to computational modeling studies.

Assignment of boundary conditions in embedded ground water flow models

USGS Publications Warehouse

Leake, S.A.

1998-01-01

Many small-scale ground water models are too small to incorporate distant aquifer boundaries. If a larger-scale model exists for the area of interest, flow and head values can be specified for boundaries in the smaller-scale model using values from the larger-scale model. Flow components along rows and columns of a large-scale block-centered finite-difference model can be interpolated to compute horizontal flow across any segment of a perimeter of a small-scale model. Head at cell centers of the larger-scale model can be interpolated to compute head at points on a model perimeter. Simple linear interpolation is proposed for horizontal interpolation of horizontal-flow components. Bilinear interpolation is proposed for horizontal interpolation of head values. The methods of interpolation provided satisfactory boundary conditions in tests using models of hypothetical aquifers.Many small-scale ground water models are too small to incorporate distant aquifer boundaries. If a larger-scale model exists for the area of interest, flow and head values can be specified for boundaries in the smaller-scale model using values from the larger-scale model. Flow components along rows and columns of a large-scale block-centered finite-difference model can be interpolated to compute horizontal flow across any segment of a perimeter of a small-scale model. Head at cell centers of the larger.scale model can be interpolated to compute head at points on a model perimeter. Simple linear interpolation is proposed for horizontal interpolation of horizontal-flow components. Bilinear interpolation is proposed for horizontal interpolation of head values. The methods of interpolation provided satisfactory boundary conditions in tests using models of hypothetical aquifers.

A Quantitative Geochemical Target for Modeling the Formation of the Earth and Moon

NASA Technical Reports Server (NTRS)

Boyce, Jeremy W.; Barnes, Jessica J.; McCubbin, Francis M.

2017-01-01

The past decade has been one of geochemical, isotopic, and computational advances that are bringing the laboratory measurements and computational modeling neighborhoods of the Earth-Moon community to ever closer proximity. We are now however in the position to become even better neighbors: modelers can generate testable hypthotheses for geochemists; and geochemists can provide quantitive targets for modelers. Here we present a robust example of the latter based on Cl isotope measurements of mare basalts.

Advanced earth observation spacecraft computer-aided design software: Technical, user and programmer guide

NASA Technical Reports Server (NTRS)

Farrell, C. E.; Krauze, L. D.

1983-01-01

The IDEAS computer of NASA is a tool for interactive preliminary design and analysis of LSS (Large Space System). Nine analysis modules were either modified or created. These modules include the capabilities of automatic model generation, model mass properties calculation, model area calculation, nonkinematic deployment modeling, rigid-body controls analysis, RF performance prediction, subsystem properties definition, and EOS science sensor selection. For each module, a section is provided that contains technical information, user instructions, and programmer documentation.

Open source molecular modeling.

PubMed

Pirhadi, Somayeh; Sunseri, Jocelyn; Koes, David Ryan

2016-09-01

The success of molecular modeling and computational chemistry efforts are, by definition, dependent on quality software applications. Open source software development provides many advantages to users of modeling applications, not the least of which is that the software is free and completely extendable. In this review we categorize, enumerate, and describe available open source software packages for molecular modeling and computational chemistry. An updated online version of this catalog can be found at https://opensourcemolecularmodeling.github.io. Copyright © 2016 The Author(s). Published by Elsevier Inc. All rights reserved.

Comparing Virtual and Physical Robotics Environments for Supporting Complex Systems and Computational Thinking

ERIC Educational Resources Information Center

Berland, Matthew; Wilensky, Uri

2015-01-01

Both complex systems methods (such as agent-based modeling) and computational methods (such as programming) provide powerful ways for students to understand new phenomena. To understand how to effectively teach complex systems and computational content to younger students, we conducted a study in four urban middle school classrooms comparing…

Distance Learning and Cloud Computing: "Just Another Buzzword or a Major E-Learning Breakthrough?"

ERIC Educational Resources Information Center

Romiszowski, Alexander J.

2012-01-01

"Cloud computing is a model for the enabling of ubiquitous, convenient, and on-demand network access to a shared pool of configurable computing resources (e.g., networks, servers, storage, applications, and other services) that can be rapidly provisioned and released with minimal management effort or service provider interaction." This…

Examining Student Outcomes in University Computer Laboratory Environments: Issues for Educational Management

ERIC Educational Resources Information Center

Newby, Michael; Marcoulides, Laura D.

2008-01-01

Purpose: The purpose of this paper is to model the relationship between student performance, student attitudes, and computer laboratory environments. Design/methodology/approach: Data were collected from 234 college students enrolled in courses that involved the use of a computer to solve problems and provided the laboratory experience by means of…

Globalized Computing Education: Europe and the United States

ERIC Educational Resources Information Center

Scime, A.

2008-01-01

As computing makes the world a smaller place there will be an increase in the mobility of information technology workers and companies. The European Union has recognized the need for mobility and is instituting educational reforms to provide recognition of worker qualifications. Within computing there have been a number of model curricula proposed…

Computer Applications Course Goals, Outlines, and Objectives.

ERIC Educational Resources Information Center

Law, Debbie; Morgan, Michele

This document contains a curriculum model that is designed to provide high school computer teachers with practical ideas for a 1-year computer applications course combining 3 quarters of instruction in keyboarding and 1 quarter of basic instruction in databases and spreadsheets. The document begins with a rationale and a 10-item list of…

PILOT-SPION: A Computer Game for German Students.

ERIC Educational Resources Information Center

Sanders, Ruth H.

1984-01-01

Describes a computer game designed for students of German, which uses techniques of artificial intelligence to create a model of language understanding by computer in an adventure game set in Berlin. In addition to providing a concrete means for testing students' language understanding, the game is a useful, highly motivating, learning mode. (SL)

A brief overview of computational structures technology related activities at NASA Lewis Research Center

NASA Technical Reports Server (NTRS)

Hopkins, Dale A.

1992-01-01

The presentation gives a partial overview of research and development underway in the Structures Division of LeRC, which collectively is referred to as the Computational Structures Technology Program. The activities in the program are diverse and encompass four major categories: (1) composite materials and structures; (2) probabilistic analysis and reliability; (3) design optimization and expert systems; and (4) computational methods and simulation. The approach of the program is comprehensive and entails exploration of fundamental theories of structural mechanics to accurately represent the complex physics governing engine structural performance, formulation, and implementation of computational techniques and integrated simulation strategies to provide accurate and efficient solutions of the governing theoretical models by exploiting the emerging advances in computer technology, and validation and verification through numerical and experimental tests to establish confidence and define the qualities and limitations of the resulting theoretical models and computational solutions. The program comprises both in-house and sponsored research activities. The remainder of the presentation provides a sample of activities to illustrate the breadth and depth of the program and to demonstrate the accomplishments and benefits that have resulted.

Geometry Modeling and Grid Generation for Design and Optimization

NASA Technical Reports Server (NTRS)

Samareh, Jamshid A.

1998-01-01

Geometry modeling and grid generation (GMGG) have played and will continue to play an important role in computational aerosciences. During the past two decades, tremendous progress has occurred in GMGG; however, GMGG is still the biggest bottleneck to routine applications for complicated Computational Fluid Dynamics (CFD) and Computational Structures Mechanics (CSM) models for analysis, design, and optimization. We are still far from incorporating GMGG tools in a design and optimization environment for complicated configurations. It is still a challenging task to parameterize an existing model in today's Computer-Aided Design (CAD) systems, and the models created are not always good enough for automatic grid generation tools. Designers may believe their models are complete and accurate, but unseen imperfections (e.g., gaps, unwanted wiggles, free edges, slivers, and transition cracks) often cause problems in gridding for CSM and CFD. Despite many advances in grid generation, the process is still the most labor-intensive and time-consuming part of the computational aerosciences for analysis, design, and optimization. In an ideal design environment, a design engineer would use a parametric model to evaluate alternative designs effortlessly and optimize an existing design for a new set of design objectives and constraints. For this ideal environment to be realized, the GMGG tools must have the following characteristics: (1) be automated, (2) provide consistent geometry across all disciplines, (3) be parametric, and (4) provide sensitivity derivatives. This paper will review the status of GMGG for analysis, design, and optimization processes, and it will focus on some emerging ideas that will advance the GMGG toward the ideal design environment.

Support Center for Regulatory Atmospheric Modeling (SCRAM)

EPA Pesticide Factsheets

This technical site provides access to air quality models (including computer code, input data, and model processors) and other mathematical simulation techniques used in assessing air emissions control strategies and source impacts.

The Virtual Geophysics Laboratory (VGL): Scientific Workflows Operating Across Organizations and Across Infrastructures

NASA Astrophysics Data System (ADS)

Cox, S. J.; Wyborn, L. A.; Fraser, R.; Rankine, T.; Woodcock, R.; Vote, J.; Evans, B.

2012-12-01

The Virtual Geophysics Laboratory (VGL) is web portal that provides geoscientists with an integrated online environment that: seamlessly accesses geophysical and geoscience data services from the AuScope national geoscience information infrastructure; loosely couples these data to a variety of gesocience software tools; and provides large scale processing facilities via cloud computing. VGL is a collaboration between CSIRO, Geoscience Australia, National Computational Infrastructure, Monash University, Australian National University and the University of Queensland. The VGL provides a distributed system whereby a user can enter an online virtual laboratory to seamlessly connect to OGC web services for geoscience data. The data is supplied in open standards formats using international standards like GeoSciML. A VGL user uses a web mapping interface to discover and filter the data sources using spatial and attribute filters to define a subset. Once the data is selected the user is not required to download the data. VGL collates the service query information for later in the processing workflow where it will be staged directly to the computing facilities. The combination of deferring data download and access to Cloud computing enables VGL users to access their data at higher resolutions and to undertake larger scale inversions, more complex models and simulations than their own local computing facilities might allow. Inside the Virtual Geophysics Laboratory, the user has access to a library of existing models, complete with exemplar workflows for specific scientific problems based on those models. For example, the user can load a geological model published by Geoscience Australia, apply a basic deformation workflow provided by a CSIRO scientist, and have it run in a scientific code from Monash. Finally the user can publish these results to share with a colleague or cite in a paper. This opens new opportunities for access and collaboration as all the resources (models, code, data, processing) are shared in the one virtual laboratory. VGL provides end users with access to an intuitive, user-centered interface that leverages cloud storage and cloud and cluster processing from both the research communities and commercial suppliers (e.g. Amazon). As the underlying data and information services are agnostic of the scientific domain, they can support many other data types. This fundamental characteristic results in a highly reusable virtual laboratory infrastructure that could also be used for example natural hazards, satellite processing, soil geochemistry, climate modeling, agriculture crop modeling.

Turbulence modeling for compressible flows

NASA Technical Reports Server (NTRS)

Marvin, J. G.

1977-01-01

Material prepared for a course on Applications and Fundamentals of Turbulence given at the University of Tennessee Space Institute, January 10 and 11, 1977, is presented. A complete concept of turbulence modeling is described, and examples of progess for its use in computational aerodynimics are given. Modeling concepts, experiments, and computations using the concepts are reviewed in a manner that provides an up-to-date statement on the status of this problem for compressible flows.

A Computer Based Educational Aid for the Instruction of Combat Modeling

DTIC Science & Technology

1992-02-27

representation (36:363-370), and, as Knuth put it, "An algorithm must be seen to be believed" (23:4). Graphics not only aid in achieving instructional...consisted primarily of research, identification and use of existing combat model computer algorithms , interviews, and use of operation research...to-air combat models’ operating manuals provided valuable insight into pro- gram structure and algorithms used to represent the combat. From these

From good intentions to healthy habits: towards integrated computational models of goal striving and habit formation.

PubMed

Pirolli, Peter

2016-08-01

Computational models were developed in the ACT-R neurocognitive architecture to address some aspects of the dynamics of behavior change. The simulations aim to address the day-to-day goal achievement data available from mobile health systems. The models refine current psychological theories of self-efficacy, intended effort, and habit formation, and provide an account for the mechanisms by which goal personalization, implementation intentions, and remindings work.

A Computer Model for Red Blood Cell Chemistry

DTIC Science & Technology

1996-10-01

5012. 13. ABSTRACT (Maximum 200 There is a growing need for interactive computational tools for medical education and research. The most exciting...paradigm for interactive education is simulation. Fluid Mod is a simulation based computational tool developed in the late sixties and early seventies at...to a modern Windows, object oriented interface. This development will provide students with a useful computational tool for learning . More important

Consolidating WLCG topology and configuration in the Computing Resource Information Catalogue

NASA Astrophysics Data System (ADS)

Alandes, Maria; Andreeva, Julia; Anisenkov, Alexey; Bagliesi, Giuseppe; Belforte, Stephano; Campana, Simone; Dimou, Maria; Flix, Jose; Forti, Alessandra; di Girolamo, A.; Karavakis, Edward; Lammel, Stephan; Litmaath, Maarten; Sciaba, Andrea; Valassi, Andrea

2017-10-01

The Worldwide LHC Computing Grid infrastructure links about 200 participating computing centres affiliated with several partner projects. It is built by integrating heterogeneous computer and storage resources in diverse data centres all over the world and provides CPU and storage capacity to the LHC experiments to perform data processing and physics analysis. In order to be used by the experiments, these distributed resources should be well described, which implies easy service discovery and detailed description of service configuration. Currently this information is scattered over multiple generic information sources like GOCDB, OIM, BDII and experiment-specific information systems. Such a model does not allow to validate topology and configuration information easily. Moreover, information in various sources is not always consistent. Finally, the evolution of computing technologies introduces new challenges. Experiments are more and more relying on opportunistic resources, which by their nature are more dynamic and should also be well described in the WLCG information system. This contribution describes the new WLCG configuration service CRIC (Computing Resource Information Catalogue) which collects information from various information providers, performs validation and provides a consistent set of UIs and APIs to the LHC VOs for service discovery and usage configuration. The main requirements for CRIC are simplicity, agility and robustness. CRIC should be able to be quickly adapted to new types of computing resources, new information sources, and allow for new data structures to be implemented easily following the evolution of the computing models and operations of the experiments.

Computational Models of Anterior Cingulate Cortex: At the Crossroads between Prediction and Effort.

PubMed

Vassena, Eliana; Holroyd, Clay B; Alexander, William H

2017-01-01

In the last two decades the anterior cingulate cortex (ACC) has become one of the most investigated areas of the brain. Extensive neuroimaging evidence suggests countless functions for this region, ranging from conflict and error coding, to social cognition, pain and effortful control. In response to this burgeoning amount of data, a proliferation of computational models has tried to characterize the neurocognitive architecture of ACC. Early seminal models provided a computational explanation for a relatively circumscribed set of empirical findings, mainly accounting for EEG and fMRI evidence. More recent models have focused on ACC's contribution to effortful control. In parallel to these developments, several proposals attempted to explain within a single computational framework a wider variety of empirical findings that span different cognitive processes and experimental modalities. Here we critically evaluate these modeling attempts, highlighting the continued need to reconcile the array of disparate ACC observations within a coherent, unifying framework.

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

Wong, Raymond K. W.; Storlie, Curtis Byron; Lee, Thomas C. M.

The paper considers the computer model calibration problem and provides a general frequentist solution. Under the framework proposed, the data model is semiparametric with a non-parametric discrepancy function which accounts for any discrepancy between physical reality and the computer model. In an attempt to solve a fundamentally important (but often ignored) identifiability issue between the computer model parameters and the discrepancy function, the paper proposes a new and identifiable parameterization of the calibration problem. It also develops a two-step procedure for estimating all the relevant quantities under the new parameterization. This estimation procedure is shown to enjoy excellent rates ofmore » convergence and can be straightforwardly implemented with existing software. For uncertainty quantification, bootstrapping is adopted to construct confidence regions for the quantities of interest. As a result, the practical performance of the methodology is illustrated through simulation examples and an application to a computational fluid dynamics model.« less

Practical Use of Computationally Frugal Model Analysis Methods

DOE PAGES

Hill, Mary C.; Kavetski, Dmitri; Clark, Martyn; ...

2015-03-21

Computationally frugal methods of model analysis can provide substantial benefits when developing models of groundwater and other environmental systems. Model analysis includes ways to evaluate model adequacy and to perform sensitivity and uncertainty analysis. Frugal methods typically require 10s of parallelizable model runs; their convenience allows for other uses of the computational effort. We suggest that model analysis be posed as a set of questions used to organize methods that range from frugal to expensive (requiring 10,000 model runs or more). This encourages focus on method utility, even when methods have starkly different theoretical backgrounds. We note that many frugalmore » methods are more useful when unrealistic process-model nonlinearities are reduced. Inexpensive diagnostics are identified for determining when frugal methods are advantageous. Examples from the literature are used to demonstrate local methods and the diagnostics. We suggest that the greater use of computationally frugal model analysis methods would allow questions such as those posed in this work to be addressed more routinely, allowing the environmental sciences community to obtain greater scientific insight from the many ongoing and future modeling efforts« less

Magnetic polyoxometalates: from molecular magnetism to molecular spintronics and quantum computing.

PubMed

Clemente-Juan, Juan M; Coronado, Eugenio; Gaita-Ariño, Alejandro

2012-11-21

In this review we discuss the relevance of polyoxometalate (POM) chemistry to provide model objects in molecular magnetism. We present several potential applications in nanomagnetism, in particular, in molecular spintronics and quantum computing.

Towards Image Documentation of Grave Coverings and Epitaphs for Exhibition Purposes

NASA Astrophysics Data System (ADS)

Pomaska, G.; Dementiev, N.

2015-08-01

Epitaphs and memorials as immovable items in sacred spaces provide with their inscriptions valuable documents of history. Today not only photography or photos are suitable as presentation material for cultural assets in museums. Computer vision and photogrammetry provide methods for recording, 3D modelling, rendering under artificial light conditions as well as further options for analysis and investigation of artistry. For exhibition purposes epitaphs have been recorded by the structure from motion method. A comparison of different kinds of SFM software distributions could be worked out. The suitability of open source software in the mesh processing chain from modelling up to displaying on computer monitors should be answered. Raspberry Pi, a computer in SoC technology works as a media server under Linux applying Python scripts. Will the little computer meet the requirements for a museum and is the handling comfortable enough for staff and visitors? This contribution reports about the case study.

Computer simulation and performance assessment of the packet-data service of the Aeronautical Mobile Satellite Service (AMSS)

NASA Technical Reports Server (NTRS)

Ferzali, Wassim; Zacharakis, Vassilis; Upadhyay, Triveni; Weed, Dennis; Burke, Gregory

1995-01-01

The ICAO Aeronautical Mobile Communications Panel (AMCP) completed the drafting of the Aeronautical Mobile Satellite Service (AMSS) Standards and Recommended Practices (SARP's) and the associated Guidance Material and submitted these documents to ICAO Air Navigation Commission (ANC) for ratification in May 1994. This effort, encompassed an extensive, multi-national SARP's validation. As part of this activity, the US Federal Aviation Administration (FAA) sponsored an effort to validate the SARP's via computer simulation. This paper provides a description of this effort. Specifically, it describes: (1) the approach selected for the creation of a high-fidelity AMSS computer model; (2) the test traffic generation scenarios; and (3) the resultant AMSS performance assessment. More recently, the AMSS computer model was also used to provide AMSS performance statistics in support of the RTCA standardization activities. This paper describes this effort as well.

Computational fluid dynamic modelling of cavitation

NASA Technical Reports Server (NTRS)

Deshpande, Manish; Feng, Jinzhang; Merkle, Charles L.

1993-01-01

Models in sheet cavitation in cryogenic fluids are developed for use in Euler and Navier-Stokes codes. The models are based upon earlier potential-flow models but enable the cavity inception point, length, and shape to be determined as part of the computation. In the present paper, numerical solutions are compared with experimental measurements for both pressure distribution and cavity length. Comparisons between models are also presented. The CFD model provides a relatively simple modification to an existing code to enable cavitation performance predictions to be included. The analysis also has the added ability of incorporating thermodynamic effects of cryogenic fluids into the analysis. Extensions of the current two-dimensional steady state analysis to three-dimensions and/or time-dependent flows are, in principle, straightforward although geometrical issues become more complicated. Linearized models, however offer promise of providing effective cavitation modeling in three-dimensions. This analysis presents good potential for improved understanding of many phenomena associated with cavity flows.

The joint effect of mesoscale and microscale roughness on perceived gloss.

PubMed

Qi, Lin; Chantler, Mike J; Siebert, J Paul; Dong, Junyu

2015-10-01

Computer simulated stimuli can provide a flexible method for creating artificial scenes in the study of visual perception of material surface properties. Previous work based on this approach reported that the properties of surface roughness and glossiness are mutually interdependent and therefore, perception of one affects the perception of the other. In this case roughness was limited to a surface property termed bumpiness. This paper reports a study into how perceived gloss varies with two model parameters related to surface roughness in computer simulations: the mesoscale roughness parameter in a surface geometry model and the microscale roughness parameter in a surface reflectance model. We used a real-world environment map to provide complex illumination and a physically-based path tracer for rendering the stimuli. Eight observers took part in a 2AFC experiment, and the results were tested against conjoint measurement models. We found that although both of the above roughness parameters significantly affect perceived gloss, the additive model does not adequately describe their mutually interactive and nonlinear influence, which is at variance with previous findings. We investigated five image properties used to quantify specular highlights, and found that perceived gloss is well predicted using a linear model. Our findings provide computational support to the 'statistical appearance models' proposed recently for material perception. Copyright © 2015 Elsevier Ltd. All rights reserved.

Integrated Computational Materials Engineering for Magnesium in Automotive Body Applications

NASA Astrophysics Data System (ADS)

Allison, John E.; Liu, Baicheng; Boyle, Kevin P.; Hector, Lou; McCune, Robert

This paper provides an overview and progress report for an international collaborative project which aims to develop an ICME infrastructure for magnesium for use in automotive body applications. Quantitative processing-micro structure-property relationships are being developed for extruded Mg alloys, sheet-formed Mg alloys and high pressure die cast Mg alloys. These relationships are captured in computational models which are then linked with manufacturing process simulation and used to provide constitutive models for component performance analysis. The long term goal is to capture this information in efficient computational models and in a web-centered knowledge base. The work is being conducted at leading universities, national labs and industrial research facilities in the US, China and Canada. This project is sponsored by the U.S. Department of Energy, the U.S. Automotive Materials Partnership (USAMP), Chinese Ministry of Science and Technology (MOST) and Natural Resources Canada (NRCan).

NASA Advanced Supercomputing Facility Expansion

NASA Technical Reports Server (NTRS)

Thigpen, William W.

2017-01-01

The NASA Advanced Supercomputing (NAS) Division enables advances in high-end computing technologies and in modeling and simulation methods to tackle some of the toughest science and engineering challenges facing NASA today. The name "NAS" has long been associated with leadership and innovation throughout the high-end computing (HEC) community. We play a significant role in shaping HEC standards and paradigms, and provide leadership in the areas of large-scale InfiniBand fabrics, Lustre open-source filesystems, and hyperwall technologies. We provide an integrated high-end computing environment to accelerate NASA missions and make revolutionary advances in science. Pleiades, a petaflop-scale supercomputer, is used by scientists throughout the U.S. to support NASA missions, and is ranked among the most powerful systems in the world. One of our key focus areas is in modeling and simulation to support NASA's real-world engineering applications and make fundamental advances in modeling and simulation methods.

Statistical Methodologies to Integrate Experimental and Computational Research

NASA Technical Reports Server (NTRS)

Parker, P. A.; Johnson, R. T.; Montgomery, D. C.

2008-01-01

Development of advanced algorithms for simulating engine flow paths requires the integration of fundamental experiments with the validation of enhanced mathematical models. In this paper, we provide an overview of statistical methods to strategically and efficiently conduct experiments and computational model refinement. Moreover, the integration of experimental and computational research efforts is emphasized. With a statistical engineering perspective, scientific and engineering expertise is combined with statistical sciences to gain deeper insights into experimental phenomenon and code development performance; supporting the overall research objectives. The particular statistical methods discussed are design of experiments, response surface methodology, and uncertainty analysis and planning. Their application is illustrated with a coaxial free jet experiment and a turbulence model refinement investigation. Our goal is to provide an overview, focusing on concepts rather than practice, to demonstrate the benefits of using statistical methods in research and development, thereby encouraging their broader and more systematic application.

Investigation into discretization methods of the six-parameter Iwan model

NASA Astrophysics Data System (ADS)

Li, Yikun; Hao, Zhiming; Feng, Jiaquan; Zhang, Dingguo

2017-02-01

Iwan model is widely applied for the purpose of describing nonlinear mechanisms of jointed structures. In this paper, parameter identification procedures of the six-parameter Iwan model based on joint experiments with different preload techniques are performed. Four kinds of discretization methods deduced from stiffness equation of the six-parameter Iwan model are provided, which can be used to discretize the integral-form Iwan model into a sum of finite Jenkins elements. In finite element simulation, the influences of discretization methods and numbers of Jenkins elements on computing accuracy are discussed. Simulation results indicate that a higher accuracy can be obtained with larger numbers of Jenkins elements. It is also shown that compared with other three kinds of discretization methods, the geometric series discretization based on stiffness provides the highest computing accuracy.

Toward a computational framework for cognitive biology: Unifying approaches from cognitive neuroscience and comparative cognition

NASA Astrophysics Data System (ADS)

Fitch, W. Tecumseh

2014-09-01

Progress in understanding cognition requires a quantitative, theoretical framework, grounded in the other natural sciences and able to bridge between implementational, algorithmic and computational levels of explanation. I review recent results in neuroscience and cognitive biology that, when combined, provide key components of such an improved conceptual framework for contemporary cognitive science. Starting at the neuronal level, I first discuss the contemporary realization that single neurons are powerful tree-shaped computers, which implies a reorientation of computational models of learning and plasticity to a lower, cellular, level. I then turn to predictive systems theory (predictive coding and prediction-based learning) which provides a powerful formal framework for understanding brain function at a more global level. Although most formal models concerning predictive coding are framed in associationist terms, I argue that modern data necessitate a reinterpretation of such models in cognitive terms: as model-based predictive systems. Finally, I review the role of the theory of computation and formal language theory in the recent explosion of comparative biological research attempting to isolate and explore how different species differ in their cognitive capacities. Experiments to date strongly suggest that there is an important difference between humans and most other species, best characterized cognitively as a propensity by our species to infer tree structures from sequential data. Computationally, this capacity entails generative capacities above the regular (finite-state) level; implementationally, it requires some neural equivalent of a push-down stack. I dub this unusual human propensity "dendrophilia", and make a number of concrete suggestions about how such a system may be implemented in the human brain, about how and why it evolved, and what this implies for models of language acquisition. I conclude that, although much remains to be done, a neurally-grounded framework for theoretical cognitive science is within reach that can move beyond polarized debates and provide a more adequate theoretical future for cognitive biology.

Toward a computational framework for cognitive biology: unifying approaches from cognitive neuroscience and comparative cognition.

PubMed

Fitch, W Tecumseh

2014-09-01

Progress in understanding cognition requires a quantitative, theoretical framework, grounded in the other natural sciences and able to bridge between implementational, algorithmic and computational levels of explanation. I review recent results in neuroscience and cognitive biology that, when combined, provide key components of such an improved conceptual framework for contemporary cognitive science. Starting at the neuronal level, I first discuss the contemporary realization that single neurons are powerful tree-shaped computers, which implies a reorientation of computational models of learning and plasticity to a lower, cellular, level. I then turn to predictive systems theory (predictive coding and prediction-based learning) which provides a powerful formal framework for understanding brain function at a more global level. Although most formal models concerning predictive coding are framed in associationist terms, I argue that modern data necessitate a reinterpretation of such models in cognitive terms: as model-based predictive systems. Finally, I review the role of the theory of computation and formal language theory in the recent explosion of comparative biological research attempting to isolate and explore how different species differ in their cognitive capacities. Experiments to date strongly suggest that there is an important difference between humans and most other species, best characterized cognitively as a propensity by our species to infer tree structures from sequential data. Computationally, this capacity entails generative capacities above the regular (finite-state) level; implementationally, it requires some neural equivalent of a push-down stack. I dub this unusual human propensity "dendrophilia", and make a number of concrete suggestions about how such a system may be implemented in the human brain, about how and why it evolved, and what this implies for models of language acquisition. I conclude that, although much remains to be done, a neurally-grounded framework for theoretical cognitive science is within reach that can move beyond polarized debates and provide a more adequate theoretical future for cognitive biology. Copyright © 2014. Published by Elsevier B.V.

Aeroacoustic Prediction Codes

NASA Technical Reports Server (NTRS)

Gliebe, P; Mani, R.; Shin, H.; Mitchell, B.; Ashford, G.; Salamah, S.; Connell, S.; Huff, Dennis (Technical Monitor)

2000-01-01

This report describes work performed on Contract NAS3-27720AoI 13 as part of the NASA Advanced Subsonic Transport (AST) Noise Reduction Technology effort. Computer codes were developed to provide quantitative prediction, design, and analysis capability for several aircraft engine noise sources. The objective was to provide improved, physics-based tools for exploration of noise-reduction concepts and understanding of experimental results. Methods and codes focused on fan broadband and 'buzz saw' noise and on low-emissions combustor noise and compliment work done by other contractors under the NASA AST program to develop methods and codes for fan harmonic tone noise and jet noise. The methods and codes developed and reported herein employ a wide range of approaches, from the strictly empirical to the completely computational, with some being semiempirical analytical, and/or analytical/computational. Emphasis was on capturing the essential physics while still considering method or code utility as a practical design and analysis tool for everyday engineering use. Codes and prediction models were developed for: (1) an improved empirical correlation model for fan rotor exit flow mean and turbulence properties, for use in predicting broadband noise generated by rotor exit flow turbulence interaction with downstream stator vanes: (2) fan broadband noise models for rotor and stator/turbulence interaction sources including 3D effects, noncompact-source effects. directivity modeling, and extensions to the rotor supersonic tip-speed regime; (3) fan multiple-pure-tone in-duct sound pressure prediction methodology based on computational fluid dynamics (CFD) analysis; and (4) low-emissions combustor prediction methodology and computer code based on CFD and actuator disk theory. In addition. the relative importance of dipole and quadrupole source mechanisms was studied using direct CFD source computation for a simple cascadeigust interaction problem, and an empirical combustor-noise correlation model was developed from engine acoustic test results. This work provided several insights on potential approaches to reducing aircraft engine noise. Code development is described in this report, and those insights are discussed.

Biomolecular electrostatics and solvation: a computational perspective

PubMed Central

Ren, Pengyu; Chun, Jaehun; Thomas, Dennis G.; Schnieders, Michael J.; Marucho, Marcelo; Zhang, Jiajing; Baker, Nathan A.

2012-01-01

An understanding of molecular interactions is essential for insight into biological systems at the molecular scale. Among the various components of molecular interactions, electrostatics are of special importance because of their long-range nature and their influence on polar or charged molecules, including water, aqueous ions, proteins, nucleic acids, carbohydrates, and membrane lipids. In particular, robust models of electrostatic interactions are essential for understanding the solvation properties of biomolecules and the effects of solvation upon biomolecular folding, binding, enzyme catalysis, and dynamics. Electrostatics, therefore, are of central importance to understanding biomolecular structure and modeling interactions within and among biological molecules. This review discusses the solvation of biomolecules with a computational biophysics view towards describing the phenomenon. While our main focus lies on the computational aspect of the models, we provide an overview of the basic elements of biomolecular solvation (e.g., solvent structure, polarization, ion binding, and nonpolar behavior) in order to provide a background to understand the different types of solvation models. PMID:23217364

Biomolecular electrostatics and solvation: a computational perspective.

PubMed

Ren, Pengyu; Chun, Jaehun; Thomas, Dennis G; Schnieders, Michael J; Marucho, Marcelo; Zhang, Jiajing; Baker, Nathan A

2012-11-01

An understanding of molecular interactions is essential for insight into biological systems at the molecular scale. Among the various components of molecular interactions, electrostatics are of special importance because of their long-range nature and their influence on polar or charged molecules, including water, aqueous ions, proteins, nucleic acids, carbohydrates, and membrane lipids. In particular, robust models of electrostatic interactions are essential for understanding the solvation properties of biomolecules and the effects of solvation upon biomolecular folding, binding, enzyme catalysis, and dynamics. Electrostatics, therefore, are of central importance to understanding biomolecular structure and modeling interactions within and among biological molecules. This review discusses the solvation of biomolecules with a computational biophysics view toward describing the phenomenon. While our main focus lies on the computational aspect of the models, we provide an overview of the basic elements of biomolecular solvation (e.g. solvent structure, polarization, ion binding, and non-polar behavior) in order to provide a background to understand the different types of solvation models.

The importance of structural anisotropy in computational models of traumatic brain injury.

PubMed

Carlsen, Rika W; Daphalapurkar, Nitin P

2015-01-01

Understanding the mechanisms of injury might prove useful in assisting the development of methods for the management and mitigation of traumatic brain injury (TBI). Computational head models can provide valuable insight into the multi-length-scale complexity associated with the primary nature of diffuse axonal injury. It involves understanding how the trauma to the head (at the centimeter length scale) translates to the white-matter tissue (at the millimeter length scale), and even further down to the axonal-length scale, where physical injury to axons (e.g., axon separation) may occur. However, to accurately represent the development of TBI, the biofidelity of these computational models is of utmost importance. There has been a focused effort to improve the biofidelity of computational models by including more sophisticated material definitions and implementing physiologically relevant measures of injury. This paper summarizes recent computational studies that have incorporated structural anisotropy in both the material definition of the white matter and the injury criterion as a means to improve the predictive capabilities of computational models for TBI. We discuss the role of structural anisotropy on both the mechanical response of the brain tissue and on the development of injury. We also outline future directions in the computational modeling of TBI.

The SURE reliability analysis program

NASA Technical Reports Server (NTRS)

Butler, R. W.

1986-01-01

The SURE program is a new reliability tool for ultrareliable computer system architectures. The program is based on computational methods recently developed for the NASA Langley Research Center. These methods provide an efficient means for computing accurate upper and lower bounds for the death state probabilities of a large class of semi-Markov models. Once a semi-Markov model is described using a simple input language, the SURE program automatically computes the upper and lower bounds on the probability of system failure. A parameter of the model can be specified as a variable over a range of values directing the SURE program to perform a sensitivity analysis automatically. This feature, along with the speed of the program, makes it especially useful as a design tool.

The SURE Reliability Analysis Program

NASA Technical Reports Server (NTRS)

Butler, R. W.

1986-01-01

The SURE program is a new reliability analysis tool for ultrareliable computer system architectures. The program is based on computational methods recently developed for the NASA Langley Research Center. These methods provide an efficient means for computing accurate upper and lower bounds for the death state probabilities of a large class of semi-Markov models. Once a semi-Markov model is described using a simple input language, the SURE program automatically computes the upper and lower bounds on the probability of system failure. A parameter of the model can be specified as a variable over a range of values directing the SURE program to perform a sensitivity analysis automatically. This feature, along with the speed of the program, makes it especially useful as a design tool.

DGSA: A Matlab toolbox for distance-based generalized sensitivity analysis of geoscientific computer experiments

NASA Astrophysics Data System (ADS)

Park, Jihoon; Yang, Guang; Satija, Addy; Scheidt, Céline; Caers, Jef

2016-12-01

Sensitivity analysis plays an important role in geoscientific computer experiments, whether for forecasting, data assimilation or model calibration. In this paper we focus on an extension of a method of regionalized sensitivity analysis (RSA) to applications typical in the Earth Sciences. Such applications involve the building of large complex spatial models, the application of computationally extensive forward modeling codes and the integration of heterogeneous sources of model uncertainty. The aim of this paper is to be practical: 1) provide a Matlab code, 2) provide novel visualization methods to aid users in getting a better understanding in the sensitivity 3) provide a method based on kernel principal component analysis (KPCA) and self-organizing maps (SOM) to account for spatial uncertainty typical in Earth Science applications and 4) provide an illustration on a real field case where the above mentioned complexities present themselves. We present methods that extend the original RSA method in several ways. First we present the calculation of conditional effects, defined as the sensitivity of a parameter given a level of another parameters. Second, we show how this conditional effect can be used to choose nominal values or ranges to fix insensitive parameters aiming to minimally affect uncertainty in the response. Third, we develop a method based on KPCA and SOM to assign a rank to spatial models in order to calculate the sensitivity on spatial variability in the models. A large oil/gas reservoir case is used as illustration of these ideas.

Complex systems and health behavior change: insights from cognitive science.

PubMed

Orr, Mark G; Plaut, David C

2014-05-01

To provide proof-of-concept that quantum health behavior can be instantiated as a computational model that is informed by cognitive science, the Theory of Reasoned Action, and quantum health behavior theory. We conducted a synthetic review of the intersection of quantum health behavior change and cognitive science. We conducted simulations, using a computational model of quantum health behavior (a constraint satisfaction artificial neural network) and tested whether the model exhibited quantum-like behavior. The model exhibited clear signs of quantum-like behavior. Quantum health behavior can be conceptualized as constraint satisfaction: a mitigation between current behavioral state and the social contexts in which it operates. We outlined implications for moving forward with computational models of both quantum health behavior and health behavior in general.

Initial draft of CSE-UCLA evaluation model based on weighted product in order to optimize digital library services in computer college in Bali

NASA Astrophysics Data System (ADS)

Divayana, D. G. H.; Adiarta, A.; Abadi, I. B. G. S.

2018-01-01

The aim of this research was to create initial design of CSE-UCLA evaluation model modified with Weighted Product in evaluating digital library service at Computer College in Bali. The method used in this research was developmental research method and developed by Borg and Gall model design. The results obtained from the research that conducted earlier this month was a rough sketch of Weighted Product based CSE-UCLA evaluation model that the design had been able to provide a general overview of the stages of weighted product based CSE-UCLA evaluation model used in order to optimize the digital library services at the Computer Colleges in Bali.

Implementation of a Message Passing Interface into a Cloud-Resolving Model for Massively Parallel Computing

NASA Technical Reports Server (NTRS)

Juang, Hann-Ming Henry; Tao, Wei-Kuo; Zeng, Xi-Ping; Shie, Chung-Lin; Simpson, Joanne; Lang, Steve

2004-01-01

The capability for massively parallel programming (MPP) using a message passing interface (MPI) has been implemented into a three-dimensional version of the Goddard Cumulus Ensemble (GCE) model. The design for the MPP with MPI uses the concept of maintaining similar code structure between the whole domain as well as the portions after decomposition. Hence the model follows the same integration for single and multiple tasks (CPUs). Also, it provides for minimal changes to the original code, so it is easily modified and/or managed by the model developers and users who have little knowledge of MPP. The entire model domain could be sliced into one- or two-dimensional decomposition with a halo regime, which is overlaid on partial domains. The halo regime requires that no data be fetched across tasks during the computational stage, but it must be updated before the next computational stage through data exchange via MPI. For reproducible purposes, transposing data among tasks is required for spectral transform (Fast Fourier Transform, FFT), which is used in the anelastic version of the model for solving the pressure equation. The performance of the MPI-implemented codes (i.e., the compressible and anelastic versions) was tested on three different computing platforms. The major results are: 1) both versions have speedups of about 99% up to 256 tasks but not for 512 tasks; 2) the anelastic version has better speedup and efficiency because it requires more computations than that of the compressible version; 3) equal or approximately-equal numbers of slices between the x- and y- directions provide the fastest integration due to fewer data exchanges; and 4) one-dimensional slices in the x-direction result in the slowest integration due to the need for more memory relocation for computation.

Economic models for management of resources in peer-to-peer and grid computing

NASA Astrophysics Data System (ADS)

Buyya, Rajkumar; Stockinger, Heinz; Giddy, Jonathan; Abramson, David

2001-07-01

The accelerated development in Peer-to-Peer (P2P) and Grid computing has positioned them as promising next generation computing platforms. They enable the creation of Virtual Enterprises (VE) for sharing resources distributed across the world. However, resource management, application development and usage models in these environments is a complex undertaking. This is due to the geographic distribution of resources that are owned by different organizations or peers. The resource owners of each of these resources have different usage or access policies and cost models, and varying loads and availability. In order to address complex resource management issues, we have proposed a computational economy framework for resource allocation and for regulating supply and demand in Grid computing environments. The framework provides mechanisms for optimizing resource provider and consumer objective functions through trading and brokering services. In a real world market, there exist various economic models for setting the price for goods based on supply-and-demand and their value to the user. They include commodity market, posted price, tenders and auctions. In this paper, we discuss the use of these models for interaction between Grid components in deciding resource value and the necessary infrastructure to realize them. In addition to normal services offered by Grid computing systems, we need an infrastructure to support interaction protocols, allocation mechanisms, currency, secure banking, and enforcement services. Furthermore, we demonstrate the usage of some of these economic models in resource brokering through Nimrod/G deadline and cost-based scheduling for two different optimization strategies on the World Wide Grid (WWG) testbed that contains peer-to-peer resources located on five continents: Asia, Australia, Europe, North America, and South America.

Airport-Noise Levels and Annoyance Model (ALAMO) user's guide

NASA Technical Reports Server (NTRS)

Deloach, R.; Donaldson, J. L.; Johnson, M. J.

1986-01-01

A guide for the use of the Airport-Noise Level and Annoyance MOdel (ALAMO) at the Langley Research Center computer complex is provided. This document is divided into 5 primary sections, the introduction, the purpose of the model, and an in-depth description of the following subsystems: baseline, noise reduction simulation and track analysis. For each subsystem, the user is provided with a description of architecture, an explanation of subsystem use, sample results, and a case runner's check list. It is assumed that the user is familiar with the operations at the Langley Research Center (LaRC) computer complex, the Network Operating System (NOS 1.4) and CYBER Control Language. Incorporated within the ALAMO model is a census database system called SITE II.

An Assessment of Feedback Procedures and Information Provided to Instructors within Computer Managed Learning Environments--Implications for Instruction and Software Redesign.

ERIC Educational Resources Information Center

Kotesky, Arturo A.

Feedback procedures and information provided to instructors within computer managed learning environments were assessed to determine current usefulness and meaningfulness to users, and to present the design of a different instructor feedback instrument. Kaufman's system model was applied to accomplish the needs assessment phase of the study; and…

System analysis for the Huntsville Operation Support Center distributed computer system

NASA Technical Reports Server (NTRS)

Ingels, F. M.

1986-01-01

A simulation model of the NASA Huntsville Operational Support Center (HOSC) was developed. This simulation model emulates the HYPERchannel Local Area Network (LAN) that ties together the various computers of HOSC. The HOSC system is a large installation of mainframe computers such as the Perkin Elmer 3200 series and the Dec VAX series. A series of six simulation exercises of the HOSC model is described using data sets provided by NASA. The analytical analysis of the ETHERNET LAN and the video terminals (VTs) distribution system are presented. An interface analysis of the smart terminal network model which allows the data flow requirements due to VTs on the ETHERNET LAN to be estimated, is presented.

Dynamic reduction of dimensions of a document vector in a document search and retrieval system

DOEpatents

Jiao, Yu; Potok, Thomas E.

2011-05-03

The method and system of the invention involves processing each new document (20) coming into the system into a document vector (16), and creating a document vector with reduced dimensionality (17) for comparison with the data model (15) without recomputing the data model (15). These operations are carried out by a first computer (11) while a second computer (12) updates the data model (18), which can be comprised of an initial large group of documents (19) and is premised on the computing an initial data model (13, 14, 15) to provide a reference point for determining document vectors from documents processed from the data stream (20).

Program management model study

NASA Technical Reports Server (NTRS)

Connelly, J. J.; Russell, J. E.; Seline, J. R.; Sumner, N. R., Jr.

1972-01-01

Two models, a system performance model and a program assessment model, have been developed to assist NASA management in the evaluation of development alternatives for the Earth Observations Program. Two computer models were developed and demonstrated on the Goddard Space Flight Center Computer Facility. Procedures have been outlined to guide the user of the models through specific evaluation processes, and the preparation of inputs describing earth observation needs and earth observation technology. These models are intended to assist NASA in increasing the effectiveness of the overall Earth Observation Program by providing a broader view of system and program development alternatives.

A Distributed Web-based Solution for Ionospheric Model Real-time Management, Monitoring, and Short-term Prediction

NASA Astrophysics Data System (ADS)

Kulchitsky, A.; Maurits, S.; Watkins, B.

2006-12-01

With the widespread availability of the Internet today, many people can monitor various scientific research activities. It is important to accommodate this interest providing on-line access to dynamic and illustrative Web-resources, which could demonstrate different aspects of ongoing research. It is especially important to explain and these research activities for high school and undergraduate students, thereby providing more information for making decisions concerning their future studies. Such Web resources are also important to clarify scientific research for the general public, in order to achieve better awareness of research progress in various fields. Particularly rewarding is dissemination of information about ongoing projects within Universities and research centers to their local communities. The benefits of this type of scientific outreach are mutual, since development of Web-based automatic systems is prerequisite for many research projects targeting real-time monitoring and/or modeling of natural conditions. Continuous operation of such systems provide ongoing research opportunities for the statistically massive validation of the models, as well. We have developed a Web-based system to run the University of Alaska Fairbanks Polar Ionospheric Model in real-time. This model makes use of networking and computational resources at the Arctic Region Supercomputing Center. This system was designed to be portable among various operating systems and computational resources. Its components can be installed across different computers, separating Web servers and computational engines. The core of the system is a Real-Time Management module (RMM) written Python, which facilitates interactions of remote input data transfers, the ionospheric model runs, MySQL database filling, and PHP scripts for the Web-page preparations. The RMM downloads current geophysical inputs as soon as they become available at different on-line depositories. This information is processed to provide inputs for the next ionospheic model time step and then stored in a MySQL database as the first part of the time-specific record. The RMM then performs synchronization of the input times with the current model time, prepares a decision on initialization for the next model time step, and monitors its execution. Then, as soon as the model completes computations for the next time step, RMM visualizes the current model output into various short-term (about 1-2 hours) forecasting products and compares prior results with available ionospheric measurements. The RMM places prepared images into the MySQL database, which can be located on a different computer node, and then proceeds to the next time interval continuing the time-loop. The upper-level interface of this real-time system is the a PHP-based Web site (http://www.arsc.edu/SpaceWeather/new). This site provides general information about the Earth polar and adjacent mid-latitude ionosphere, allows for monitoring of the current developments and short-term forecasts, and facilitates access to the comparisons archive stored in the database.

Software Validation via Model Animation

NASA Technical Reports Server (NTRS)

Dutle, Aaron M.; Munoz, Cesar A.; Narkawicz, Anthony J.; Butler, Ricky W.

2015-01-01

This paper explores a new approach to validating software implementations that have been produced from formally-verified algorithms. Although visual inspection gives some confidence that the implementations faithfully reflect the formal models, it does not provide complete assurance that the software is correct. The proposed approach, which is based on animation of formal specifications, compares the outputs computed by the software implementations on a given suite of input values to the outputs computed by the formal models on the same inputs, and determines if they are equal up to a given tolerance. The approach is illustrated on a prototype air traffic management system that computes simple kinematic trajectories for aircraft. Proofs for the mathematical models of the system's algorithms are carried out in the Prototype Verification System (PVS). The animation tool PVSio is used to evaluate the formal models on a set of randomly generated test cases. Output values computed by PVSio are compared against output values computed by the actual software. This comparison improves the assurance that the translation from formal models to code is faithful and that, for example, floating point errors do not greatly affect correctness and safety properties.

REVEAL: An Extensible Reduced Order Model Builder for Simulation and Modeling

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

Agarwal, Khushbu; Sharma, Poorva; Ma, Jinliang

2013-04-30

Many science domains need to build computationally efficient and accurate representations of high fidelity, computationally expensive simulations. These computationally efficient versions are known as reduced-order models. This paper presents the design and implementation of a novel reduced-order model (ROM) builder, the REVEAL toolset. This toolset generates ROMs based on science- and engineering-domain specific simulations executed on high performance computing (HPC) platforms. The toolset encompasses a range of sampling and regression methods that can be used to generate a ROM, automatically quantifies the ROM accuracy, and provides support for an iterative approach to improve ROM accuracy. REVEAL is designed to bemore » extensible in order to utilize the core functionality with any simulator that has published input and output formats. It also defines programmatic interfaces to include new sampling and regression techniques so that users can ‘mix and match’ mathematical techniques to best suit the characteristics of their model. In this paper, we describe the architecture of REVEAL and demonstrate its usage with a computational fluid dynamics model used in carbon capture.« less

A Dynamic/Anisotropic Low Earth Orbit (LEO) Ionizing Radiation Model

NASA Technical Reports Server (NTRS)

Badavi, Francis F.; West, Katie J.; Nealy, John E.; Wilson, John W.; Abrahms, Briana L.; Luetke, Nathan J.

2006-01-01

The International Space Station (ISS) provides the proving ground for future long duration human activities in space. Ionizing radiation measurements in ISS form the ideal tool for the experimental validation of ionizing radiation environmental models, nuclear transport code algorithms, and nuclear reaction cross sections. Indeed, prior measurements on the Space Transportation System (STS; Shuttle) have provided vital information impacting both the environmental models and the nuclear transport code development by requiring dynamic models of the Low Earth Orbit (LEO) environment. Previous studies using Computer Aided Design (CAD) models of the evolving ISS configurations with Thermo Luminescent Detector (TLD) area monitors, demonstrated that computational dosimetry requires environmental models with accurate non-isotropic as well as dynamic behavior, detailed information on rack loading, and an accurate 6 degree of freedom (DOF) description of ISS trajectory and orientation.

R&D for computational cognitive and social models : foundations for model evaluation through verification and validation (final LDRD report).

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

Slepoy, Alexander; Mitchell, Scott A.; Backus, George A.

2008-09-01

Sandia National Laboratories is investing in projects that aim to develop computational modeling and simulation applications that explore human cognitive and social phenomena. While some of these modeling and simulation projects are explicitly research oriented, others are intended to support or provide insight for people involved in high consequence decision-making. This raises the issue of how to evaluate computational modeling and simulation applications in both research and applied settings where human behavior is the focus of the model: when is a simulation 'good enough' for the goals its designers want to achieve? In this report, we discuss two years' worthmore » of review and assessment of the ASC program's approach to computational model verification and validation, uncertainty quantification, and decision making. We present a framework that extends the principles of the ASC approach into the area of computational social and cognitive modeling and simulation. In doing so, we argue that the potential for evaluation is a function of how the modeling and simulation software will be used in a particular setting. In making this argument, we move from strict, engineering and physics oriented approaches to V&V to a broader project of model evaluation, which asserts that the systematic, rigorous, and transparent accumulation of evidence about a model's performance under conditions of uncertainty is a reasonable and necessary goal for model evaluation, regardless of discipline. How to achieve the accumulation of evidence in areas outside physics and engineering is a significant research challenge, but one that requires addressing as modeling and simulation tools move out of research laboratories and into the hands of decision makers. This report provides an assessment of our thinking on ASC Verification and Validation, and argues for further extending V&V research in the physical and engineering sciences toward a broader program of model evaluation in situations of high consequence decision-making.« less

Software systems for modeling articulated figures

NASA Technical Reports Server (NTRS)

Phillips, Cary B.

1989-01-01

Research in computer animation and simulation of human task performance requires sophisticated geometric modeling and user interface tools. The software for a research environment should present the programmer with a powerful but flexible substrate of facilities for displaying and manipulating geometric objects, yet insure that future tools have a consistent and friendly user interface. Jack is a system which provides a flexible and extensible programmer and user interface for displaying and manipulating complex geometric figures, particularly human figures in a 3D working environment. It is a basic software framework for high-performance Silicon Graphics IRIS workstations for modeling and manipulating geometric objects in a general but powerful way. It provides a consistent and user-friendly interface across various applications in computer animation and simulation of human task performance. Currently, Jack provides input and control for applications including lighting specification and image rendering, anthropometric modeling, figure positioning, inverse kinematics, dynamic simulation, and keyframe animation.

Modeling of Non-Isothermal Cryogenic Fluid Sloshing

NASA Technical Reports Server (NTRS)

Agui, Juan H.; Moder, Jeffrey P.

2015-01-01

A computational fluid dynamic model was used to simulate the thermal destratification in an upright self-pressurized cryostat approximately half-filled with liquid nitrogen and subjected to forced sinusoidal lateral shaking. A full three-dimensional computational grid was used to model the tank dynamics, fluid flow and thermodynamics using the ANSYS Fluent code. A non-inertial grid was used which required the addition of momentum and energy source terms to account for the inertial forces, energy transfer and wall reaction forces produced by the shaken tank. The kinetics-based Schrage mass transfer model provided the interfacial mass transfer due to evaporation and condensation at the sloshing interface. The dynamic behavior of the sloshing interface, its amplitude and transition to different wave modes, provided insight into the fluid process at the interface. The tank pressure evolution and temperature profiles compared relatively well with the shaken cryostat experimental test data provided by the Centre National D'Etudes Spatiales.

Computational Fluid Dynamics (CFD) Modeling for High Rate Pulverized Coal Injection (PCI) into the Blast Furnace

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

Dr. Chenn Zhou

2008-10-15

Pulverized coal injection (PCI) into the blast furnace (BF) has been recognized as an effective way to decrease the coke and total energy consumption along with minimization of environmental impacts. However, increasing the amount of coal injected into the BF is currently limited by the lack of knowledge of some issues related to the process. It is therefore important to understand the complex physical and chemical phenomena in the PCI process. Due to the difficulty in attaining trus BF measurements, Computational fluid dynamics (CFD) modeling has been identified as a useful technology to provide such knowledge. CFD simulation is powerfulmore » for providing detailed information on flow properties and performing parametric studies for process design and optimization. In this project, comprehensive 3-D CFD models have been developed to simulate the PCI process under actual furnace conditions. These models provide raceway size and flow property distributions. The results have provided guidance for optimizing the PCI process.« less

Development of a High Resolution Weather Forecast Model for Mesoamerica Using the NASA Nebula Cloud Computing Environment

NASA Technical Reports Server (NTRS)

Molthan, Andrew L.; Case, Jonathan L.; Venner, Jason; Moreno-Madrinan, Max. J.; Delgado, Francisco

2012-01-01

Over the past two years, scientists in the Earth Science Office at NASA fs Marshall Space Flight Center (MSFC) have explored opportunities to apply cloud computing concepts to support near real ]time weather forecast modeling via the Weather Research and Forecasting (WRF) model. Collaborators at NASA fs Short ]term Prediction Research and Transition (SPoRT) Center and the SERVIR project at Marshall Space Flight Center have established a framework that provides high resolution, daily weather forecasts over Mesoamerica through use of the NASA Nebula Cloud Computing Platform at Ames Research Center. Supported by experts at Ames, staff at SPoRT and SERVIR have established daily forecasts complete with web graphics and a user interface that allows SERVIR partners access to high resolution depictions of weather in the next 48 hours, useful for monitoring and mitigating meteorological hazards such as thunderstorms, heavy precipitation, and tropical weather that can lead to other disasters such as flooding and landslides. This presentation will describe the framework for establishing and providing WRF forecasts, example applications of output provided via the SERVIR web portal, and early results of forecast model verification against available surface ] and satellite ]based observations.

Performance Evaluation of Resource Management in Cloud Computing Environments.

PubMed

Batista, Bruno Guazzelli; Estrella, Julio Cezar; Ferreira, Carlos Henrique Gomes; Filho, Dionisio Machado Leite; Nakamura, Luis Hideo Vasconcelos; Reiff-Marganiec, Stephan; Santana, Marcos José; Santana, Regina Helena Carlucci

2015-01-01

Cloud computing is a computational model in which resource providers can offer on-demand services to clients in a transparent way. However, to be able to guarantee quality of service without limiting the number of accepted requests, providers must be able to dynamically manage the available resources so that they can be optimized. This dynamic resource management is not a trivial task, since it involves meeting several challenges related to workload modeling, virtualization, performance modeling, deployment and monitoring of applications on virtualized resources. This paper carries out a performance evaluation of a module for resource management in a cloud environment that includes handling available resources during execution time and ensuring the quality of service defined in the service level agreement. An analysis was conducted of different resource configurations to define which dimension of resource scaling has a real influence on client requests. The results were used to model and implement a simulated cloud system, in which the allocated resource can be changed on-the-fly, with a corresponding change in price. In this way, the proposed module seeks to satisfy both the client by ensuring quality of service, and the provider by ensuring the best use of resources at a fair price.

Performance Evaluation of Resource Management in Cloud Computing Environments

PubMed Central

Batista, Bruno Guazzelli; Estrella, Julio Cezar; Ferreira, Carlos Henrique Gomes; Filho, Dionisio Machado Leite; Nakamura, Luis Hideo Vasconcelos; Reiff-Marganiec, Stephan; Santana, Marcos José; Santana, Regina Helena Carlucci

2015-01-01

Cloud computing is a computational model in which resource providers can offer on-demand services to clients in a transparent way. However, to be able to guarantee quality of service without limiting the number of accepted requests, providers must be able to dynamically manage the available resources so that they can be optimized. This dynamic resource management is not a trivial task, since it involves meeting several challenges related to workload modeling, virtualization, performance modeling, deployment and monitoring of applications on virtualized resources. This paper carries out a performance evaluation of a module for resource management in a cloud environment that includes handling available resources during execution time and ensuring the quality of service defined in the service level agreement. An analysis was conducted of different resource configurations to define which dimension of resource scaling has a real influence on client requests. The results were used to model and implement a simulated cloud system, in which the allocated resource can be changed on-the-fly, with a corresponding change in price. In this way, the proposed module seeks to satisfy both the client by ensuring quality of service, and the provider by ensuring the best use of resources at a fair price. PMID:26555730

Development of a High Resolution Weather Forecast Model for Mesoamerica Using the NASA Nebula Cloud Computing Environment

NASA Astrophysics Data System (ADS)

Molthan, A.; Case, J.; Venner, J.; Moreno-Madriñán, M. J.; Delgado, F.

2012-12-01

Over the past two years, scientists in the Earth Science Office at NASA's Marshall Space Flight Center (MSFC) have explored opportunities to apply cloud computing concepts to support near real-time weather forecast modeling via the Weather Research and Forecasting (WRF) model. Collaborators at NASA's Short-term Prediction Research and Transition (SPoRT) Center and the SERVIR project at Marshall Space Flight Center have established a framework that provides high resolution, daily weather forecasts over Mesoamerica through use of the NASA Nebula Cloud Computing Platform at Ames Research Center. Supported by experts at Ames, staff at SPoRT and SERVIR have established daily forecasts complete with web graphics and a user interface that allows SERVIR partners access to high resolution depictions of weather in the next 48 hours, useful for monitoring and mitigating meteorological hazards such as thunderstorms, heavy precipitation, and tropical weather that can lead to other disasters such as flooding and landslides. This presentation will describe the framework for establishing and providing WRF forecasts, example applications of output provided via the SERVIR web portal, and early results of forecast model verification against available surface- and satellite-based observations.

Structure, function, and behaviour of computational models in systems biology

PubMed Central

2013-01-01

Background Systems Biology develops computational models in order to understand biological phenomena. The increasing number and complexity of such “bio-models” necessitate computer support for the overall modelling task. Computer-aided modelling has to be based on a formal semantic description of bio-models. But, even if computational bio-models themselves are represented precisely in terms of mathematical expressions their full meaning is not yet formally specified and only described in natural language. Results We present a conceptual framework – the meaning facets – which can be used to rigorously specify the semantics of bio-models. A bio-model has a dual interpretation: On the one hand it is a mathematical expression which can be used in computational simulations (intrinsic meaning). On the other hand the model is related to the biological reality (extrinsic meaning). We show that in both cases this interpretation should be performed from three perspectives: the meaning of the model’s components (structure), the meaning of the model’s intended use (function), and the meaning of the model’s dynamics (behaviour). In order to demonstrate the strengths of the meaning facets framework we apply it to two semantically related models of the cell cycle. Thereby, we make use of existing approaches for computer representation of bio-models as much as possible and sketch the missing pieces. Conclusions The meaning facets framework provides a systematic in-depth approach to the semantics of bio-models. It can serve two important purposes: First, it specifies and structures the information which biologists have to take into account if they build, use and exchange models. Secondly, because it can be formalised, the framework is a solid foundation for any sort of computer support in bio-modelling. The proposed conceptual framework establishes a new methodology for modelling in Systems Biology and constitutes a basis for computer-aided collaborative research. PMID:23721297

Static, rheological and mechanical properties of polymer nanocomposites studied by computer modeling and simulation.

PubMed

Liu, Jun; Zhang, Liqun; Cao, Dapeng; Wang, Wenchuan

2009-12-28

Polymer nanocomposites (PNCs) often exhibit excellent mechanical, thermal, electrical and optical properties, because they combine the performances of both polymers and inorganic or organic nanoparticles. Recently, computer modeling and simulation are playing an important role in exploring the reinforcement mechanism of the PNCs and even the design of functional PNCs. This report provides an overview of the progress made in past decades in the investigation of the static, rheological and mechanical properties of polymer nanocomposites studied by computer modeling and simulation. Emphases are placed on exploring the mechanisms at the molecular level for the dispersion of nanoparticles in nanocomposites, the effects of nanoparticles on chain conformation and glass transition temperature (T(g)), as well as viscoelastic and mechanical properties. Finally, some future challenges and opportunities in computer modeling and simulation of PNCs are addressed.

Red Storm usage model :Version 1.12.

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

Jefferson, Karen L.; Sturtevant, Judith E.

Red Storm is an Advanced Simulation and Computing (ASC) funded massively parallel supercomputer located at Sandia National Laboratories (SNL). The Red Storm Usage Model (RSUM) documents the capabilities and the environment provided for the FY05 Tri-Lab Level II Limited Availability Red Storm User Environment Milestone and the FY05 SNL Level II Limited Availability Red Storm Platform Milestone. This document describes specific capabilities, tools, and procedures to support both local and remote users. The model is focused on the needs of the ASC user working in the secure computing environments at Los Alamos National Laboratory (LANL), Lawrence Livermore National Laboratory (LLNL),more » and SNL. Additionally, the Red Storm Usage Model maps the provided capabilities to the Tri-Lab ASC Computing Environment (ACE) requirements. The ACE requirements reflect the high performance computing requirements for the ASC community and have been updated in FY05 to reflect the community's needs. For each section of the RSUM, Appendix I maps the ACE requirements to the Limited Availability User Environment capabilities and includes a description of ACE requirements met and those requirements that are not met in that particular section. The Red Storm Usage Model, along with the ACE mappings, has been issued and vetted throughout the Tri-Lab community.« less

Numerical Computation of a Continuous-thrust State Transition Matrix Incorporating Accurate Hardware and Ephemeris Models

NASA Technical Reports Server (NTRS)

Ellison, Donald; Conway, Bruce; Englander, Jacob

2015-01-01

A significant body of work exists showing that providing a nonlinear programming (NLP) solver with expressions for the problem constraint gradient substantially increases the speed of program execution and can also improve the robustness of convergence, especially for local optimizers. Calculation of these derivatives is often accomplished through the computation of spacecraft's state transition matrix (STM). If the two-body gravitational model is employed as is often done in the context of preliminary design, closed form expressions for these derivatives may be provided. If a high fidelity dynamics model, that might include perturbing forces such as the gravitational effect from multiple third bodies and solar radiation pressure is used then these STM's must be computed numerically. We present a method for the power hardward model and a full ephemeris model. An adaptive-step embedded eight order Dormand-Prince numerical integrator is discussed and a method for the computation of the time of flight derivatives in this framework is presented. The use of these numerically calculated derivatieves offer a substantial improvement over finite differencing in the context of a global optimizer. Specifically the inclusion of these STM's into the low thrust missiondesign tool chain in use at NASA Goddard Spaceflight Center allows for an increased preliminary mission design cadence.

On the Modeling and Management of Cloud Data Analytics

NASA Astrophysics Data System (ADS)

Castillo, Claris; Tantawi, Asser; Steinder, Malgorzata; Pacifici, Giovanni

A new era is dawning where vast amount of data is subjected to intensive analysis in a cloud computing environment. Over the years, data about a myriad of things, ranging from user clicks to galaxies, have been accumulated, and continue to be collected, on storage media. The increasing availability of such data, along with the abundant supply of compute power and the urge to create useful knowledge, gave rise to a new data analytics paradigm in which data is subjected to intensive analysis, and additional data is created in the process. Meanwhile, a new cloud computing environment has emerged where seemingly limitless compute and storage resources are being provided to host computation and data for multiple users through virtualization technologies. Such a cloud environment is becoming the home for data analytics. Consequently, providing good performance at run-time to data analytics workload is an important issue for cloud management. In this paper, we provide an overview of the data analytics and cloud environment landscapes, and investigate the performance management issues related to running data analytics in the cloud. In particular, we focus on topics such as workload characterization, profiling analytics applications and their pattern of data usage, cloud resource allocation, placement of computation and data and their dynamic migration in the cloud, and performance prediction. In solving such management problems one relies on various run-time analytic models. We discuss approaches for modeling and optimizing the dynamic data analytics workload in the cloud environment. All along, we use the Map-Reduce paradigm as an illustration of data analytics.

A toolbox and a record for scientific model development

NASA Technical Reports Server (NTRS)

Ellman, Thomas

1994-01-01

Scientific computation can benefit from software tools that facilitate construction of computational models, control the application of models, and aid in revising models to handle new situations. Existing environments for scientific programming provide only limited means of handling these tasks. This paper describes a two pronged approach for handling these tasks: (1) designing a 'Model Development Toolbox' that includes a basic set of model constructing operations; and (2) designing a 'Model Development Record' that is automatically generated during model construction. The record is subsequently exploited by tools that control the application of scientific models and revise models to handle new situations. Our two pronged approach is motivated by our belief that the model development toolbox and record should be highly interdependent. In particular, a suitable model development record can be constructed only when models are developed using a well defined set of operations. We expect this research to facilitate rapid development of new scientific computational models, to help ensure appropriate use of such models and to facilitate sharing of such models among working computational scientists. We are testing this approach by extending SIGMA, and existing knowledge-based scientific software design tool.

A resource facility for kinetic analysis: modeling using the SAAM computer programs.

PubMed

Foster, D M; Boston, R C; Jacquez, J A; Zech, L

1989-01-01

Kinetic analysis and integrated system modeling have contributed significantly to understanding the physiology and pathophysiology of metabolic systems in humans and animals. Many experimental biologists are aware of the usefulness of these techniques and recognize that kinetic modeling requires special expertise. The Resource Facility for Kinetic Analysis (RFKA) provides this expertise through: (1) development and application of modeling technology for biomedical problems, and (2) development of computer-based kinetic modeling methodologies concentrating on the computer program Simulation, Analysis, and Modeling (SAAM) and its conversational version, CONversational SAAM (CONSAM). The RFKA offers consultation to the biomedical community in the use of modeling to analyze kinetic data and trains individuals in using this technology for biomedical research. Early versions of SAAM were widely applied in solving dosimetry problems; many users, however, are not familiar with recent improvements to the software. The purpose of this paper is to acquaint biomedical researchers in the dosimetry field with RFKA, which, together with the joint National Cancer Institute-National Heart, Lung and Blood Institute project, is overseeing SAAM development and applications. In addition, RFKA provides many service activities to the SAAM user community that are relevant to solving dosimetry problems.

Interactive computer simulations of knee-replacement surgery.

PubMed

Gunther, Stephen B; Soto, Gabriel E; Colman, William W

2002-07-01

Current surgical training programs in the United States are based on an apprenticeship model. This model is outdated because it does not provide conceptual scaffolding, promote collaborative learning, or offer constructive reinforcement. Our objective was to create a more useful approach by preparing students and residents for operative cases using interactive computer simulations of surgery. Total-knee-replacement surgery (TKR) is an ideal procedure to model on the computer because there is a systematic protocol for the procedure. Also, this protocol is difficult to learn by the apprenticeship model because of the multiple instruments that must be used in a specific order. We designed an interactive computer tutorial to teach medical students and residents how to perform knee-replacement surgery. We also aimed to reinforce the specific protocol of the operative procedure. Our final goal was to provide immediate, constructive feedback. We created a computer tutorial by generating three-dimensional wire-frame models of the surgical instruments. Next, we applied a surface to the wire-frame models using three-dimensional modeling. Finally, the three-dimensional models were animated to simulate the motions of an actual TKR. The tutorial is a step-by-step tutorial that teaches and tests the correct sequence of steps in a TKR. The student or resident must select the correct instruments in the correct order. The learner is encouraged to learn the stepwise surgical protocol through repetitive use of the computer simulation. Constructive feedback is acquired through a grading system, which rates the student's or resident's ability to perform the task in the correct order. The grading system also accounts for the time required to perform the simulated procedure. We evaluated the efficacy of this teaching technique by testing medical students who learned by the computer simulation and those who learned by reading the surgical protocol manual. Both groups then performed TKR on manufactured bone models using real instruments. Their technique was graded with the standard protocol. The students who learned on the computer simulation performed the task in a shorter time and with fewer errors than the control group. They were also more engaged in the learning process. Surgical training programs generally lack a consistent approach to preoperative education related to surgical procedures. This interactive computer tutorial has allowed us to make a quantum leap in medical student and resident teaching in our orthopedic department because the students actually participate in the entire process. Our technique provides a linear, sequential method of skill acquisition and direct feedback, which is ideally suited for learning stepwise surgical protocols. Since our initial evaluation has shown the efficacy of this program, we have implemented this teaching tool into our orthopedic curriculum. Our plans for future work with this simulator include modeling procedures involving other anatomic areas of interest, such as the hip and shoulder.

Generic algorithms for high performance scalable geocomputing

NASA Astrophysics Data System (ADS)

de Jong, Kor; Schmitz, Oliver; Karssenberg, Derek

2016-04-01

During the last decade, the characteristics of computing hardware have changed a lot. For example, instead of a single general purpose CPU core, personal computers nowadays contain multiple cores per CPU and often general purpose accelerators, like GPUs. Additionally, compute nodes are often grouped together to form clusters or a supercomputer, providing enormous amounts of compute power. For existing earth simulation models to be able to use modern hardware platforms, their compute intensive parts must be rewritten. This can be a major undertaking and may involve many technical challenges. Compute tasks must be distributed over CPU cores, offloaded to hardware accelerators, or distributed to different compute nodes. And ideally, all of this should be done in such a way that the compute task scales well with the hardware resources. This presents two challenges: 1) how to make good use of all the compute resources and 2) how to make these compute resources available for developers of simulation models, who may not (want to) have the required technical background for distributing compute tasks. The first challenge requires the use of specialized technology (e.g.: threads, OpenMP, MPI, OpenCL, CUDA). The second challenge requires the abstraction of the logic handling the distribution of compute tasks from the model-specific logic, hiding the technical details from the model developer. To assist the model developer, we are developing a C++ software library (called Fern) containing algorithms that can use all CPU cores available in a single compute node (distributing tasks over multiple compute nodes will be done at a later stage). The algorithms are grid-based (finite difference) and include local and spatial operations such as convolution filters. The algorithms handle distribution of the compute tasks to CPU cores internally. In the resulting model the low-level details of how this is done is separated from the model-specific logic representing the modeled system. This contrasts with practices in which code for distributing of compute tasks is mixed with model-specific code, and results in a better maintainable model. For flexibility and efficiency, the algorithms are configurable at compile-time with the respect to the following aspects: data type, value type, no-data handling, input value domain handling, and output value range handling. This makes the algorithms usable in very different contexts, without the need for making intrusive changes to existing models when using them. Applications that benefit from using the Fern library include the construction of forward simulation models in (global) hydrology (e.g. PCR-GLOBWB (Van Beek et al. 2011)), ecology, geomorphology, or land use change (e.g. PLUC (Verstegen et al. 2014)) and manipulation of hyper-resolution land surface data such as digital elevation models and remote sensing data. Using the Fern library, we have also created an add-on to the PCRaster Python Framework (Karssenberg et al. 2010) allowing its users to speed up their spatio-temporal models, sometimes by changing just a single line of Python code in their model. In our presentation we will give an overview of the design of the algorithms, providing examples of different contexts where they can be used to replace existing sequential algorithms, including the PCRaster environmental modeling software (www.pcraster.eu). We will show how the algorithms can be configured to behave differently when necessary. References Karssenberg, D., Schmitz, O., Salamon, P., De Jong, K. and Bierkens, M.F.P., 2010, A software framework for construction of process-based stochastic spatio-temporal models and data assimilation. Environmental Modelling & Software, 25, pp. 489-502, Link. Best Paper Award 2010: Software and Decision Support. Van Beek, L. P. H., Y. Wada, and M. F. P. Bierkens. 2011. Global monthly water stress: 1. Water balance and water availability. Water Resources Research. 47. Verstegen, J. A., D. Karssenberg, F. van der Hilst, and A. P. C. Faaij. 2014. Identifying a land use change cellular automaton by Bayesian data assimilation. Environmental Modelling & Software 53:121-136.

Computational neurorehabilitation: modeling plasticity and learning to predict recovery.

PubMed

Reinkensmeyer, David J; Burdet, Etienne; Casadio, Maura; Krakauer, John W; Kwakkel, Gert; Lang, Catherine E; Swinnen, Stephan P; Ward, Nick S; Schweighofer, Nicolas

2016-04-30

Despite progress in using computational approaches to inform medicine and neuroscience in the last 30 years, there have been few attempts to model the mechanisms underlying sensorimotor rehabilitation. We argue that a fundamental understanding of neurologic recovery, and as a result accurate predictions at the individual level, will be facilitated by developing computational models of the salient neural processes, including plasticity and learning systems of the brain, and integrating them into a context specific to rehabilitation. Here, we therefore discuss Computational Neurorehabilitation, a newly emerging field aimed at modeling plasticity and motor learning to understand and improve movement recovery of individuals with neurologic impairment. We first explain how the emergence of robotics and wearable sensors for rehabilitation is providing data that make development and testing of such models increasingly feasible. We then review key aspects of plasticity and motor learning that such models will incorporate. We proceed by discussing how computational neurorehabilitation models relate to the current benchmark in rehabilitation modeling - regression-based, prognostic modeling. We then critically discuss the first computational neurorehabilitation models, which have primarily focused on modeling rehabilitation of the upper extremity after stroke, and show how even simple models have produced novel ideas for future investigation. Finally, we conclude with key directions for future research, anticipating that soon we will see the emergence of mechanistic models of motor recovery that are informed by clinical imaging results and driven by the actual movement content of rehabilitation therapy as well as wearable sensor-based records of daily activity.

AIRPOL-4A algorithms.

DOT National Transportation Integrated Search

1976-01-01

This report provides a detailed explanation of the inner workings of the computer program AIRPOL-4A, a computer model for predicting the impact of highway generated air pollution. The report is intended to serve both as a supportive document for AIRP...

Iteration and Prototyping in Creating Technical Specifications.

ERIC Educational Resources Information Center

Flynt, John P.

1994-01-01

Claims that the development process for computer software can be greatly aided by the writers of specifications if they employ basic iteration and prototyping techniques. Asserts that computer software configuration management practices provide ready models for iteration and prototyping. (HB)

Numerical model for healthy and injured ankle ligaments.

PubMed

Forestiero, Antonella; Carniel, Emanuele Luigi; Fontanella, Chiara Giulia; Natali, Arturo Nicola

2017-06-01

The aim of this work is to provide a computational tool for the investigation of ankle mechanics under different loading conditions. The attention is focused on the biomechanical role of ankle ligaments that are fundamental for joints stability. A finite element model of the human foot is developed starting from Computed Tomography and Magnetic Resonance Imaging, using particular attention to the definition of ankle ligaments. A refined fiber-reinforced visco-hyperelastic constitutive model is assumed to characterize the mechanical response of ligaments. Numerical analyses that interpret anterior drawer and the talar tilt tests reported in literature are performed. The numerical results are in agreement with the range of values obtained by experimental tests confirming the accuracy of the procedure adopted. The increase of the ankle range of motion after some ligaments rupture is also evaluated, leading to the capability of the numerical models to interpret the damage conditions. The developed computational model provides a tool for the investigation of foot and ankle functionality in terms of stress-strain of the tissues and in terms of ankle motion, considering different types of damage to ankle ligaments.

DRI Model of the U.S. Economy -- Model Documentation

EIA Publications

1993-01-01

Provides documentation on Data Resources, Inc., DRI Model of the U.S. Economy and the DRI Personal Computer Input/Output Model. It also describes the theoretical basis, structure and functions of both DRI models; and contains brief descriptions of the models and their equations.

Strategies for concurrent processing of complex algorithms in data driven architectures

NASA Technical Reports Server (NTRS)

Stoughton, John W.; Mielke, Roland R.

1987-01-01

The results of ongoing research directed at developing a graph theoretical model for describing data and control flow associated with the execution of large grained algorithms in a spatial distributed computer environment is presented. This model is identified by the acronym ATAMM (Algorithm/Architecture Mapping Model). The purpose of such a model is to provide a basis for establishing rules for relating an algorithm to its execution in a multiprocessor environment. Specifications derived from the model lead directly to the description of a data flow architecture which is a consequence of the inherent behavior of the data and control flow described by the model. The purpose of the ATAMM based architecture is to optimize computational concurrency in the multiprocessor environment and to provide an analytical basis for performance evaluation. The ATAMM model and architecture specifications are demonstrated on a prototype system for concept validation.

Integrated computational model of the bioenergetics of isolated lung mitochondria

PubMed Central

Zhang, Xiao; Jacobs, Elizabeth R.; Camara, Amadou K. S.; Clough, Anne V.

2018-01-01

Integrated computational modeling provides a mechanistic and quantitative framework for describing lung mitochondrial bioenergetics. Thus, the objective of this study was to develop and validate a thermodynamically-constrained integrated computational model of the bioenergetics of isolated lung mitochondria. The model incorporates the major biochemical reactions and transport processes in lung mitochondria. A general framework was developed to model those biochemical reactions and transport processes. Intrinsic model parameters such as binding constants were estimated using previously published isolated enzymes and transporters kinetic data. Extrinsic model parameters such as maximal reaction and transport velocities were estimated by fitting the integrated bioenergetics model to published and new tricarboxylic acid cycle and respirometry data measured in isolated rat lung mitochondria. The integrated model was then validated by assessing its ability to predict experimental data not used for the estimation of the extrinsic model parameters. For example, the model was able to predict reasonably well the substrate and temperature dependency of mitochondrial oxygen consumption, kinetics of NADH redox status, and the kinetics of mitochondrial accumulation of the cationic dye rhodamine 123, driven by mitochondrial membrane potential, under different respiratory states. The latter required the coupling of the integrated bioenergetics model to a pharmacokinetic model for the mitochondrial uptake of rhodamine 123 from buffer. The integrated bioenergetics model provides a mechanistic and quantitative framework for 1) integrating experimental data from isolated lung mitochondria under diverse experimental conditions, and 2) assessing the impact of a change in one or more mitochondrial processes on overall lung mitochondrial bioenergetics. In addition, the model provides important insights into the bioenergetics and respiration of lung mitochondria and how they differ from those of mitochondria from other organs. To the best of our knowledge, this model is the first for the bioenergetics of isolated lung mitochondria. PMID:29889855

Integrated computational model of the bioenergetics of isolated lung mitochondria.

PubMed

Zhang, Xiao; Dash, Ranjan K; Jacobs, Elizabeth R; Camara, Amadou K S; Clough, Anne V; Audi, Said H

2018-01-01

Integrated computational modeling provides a mechanistic and quantitative framework for describing lung mitochondrial bioenergetics. Thus, the objective of this study was to develop and validate a thermodynamically-constrained integrated computational model of the bioenergetics of isolated lung mitochondria. The model incorporates the major biochemical reactions and transport processes in lung mitochondria. A general framework was developed to model those biochemical reactions and transport processes. Intrinsic model parameters such as binding constants were estimated using previously published isolated enzymes and transporters kinetic data. Extrinsic model parameters such as maximal reaction and transport velocities were estimated by fitting the integrated bioenergetics model to published and new tricarboxylic acid cycle and respirometry data measured in isolated rat lung mitochondria. The integrated model was then validated by assessing its ability to predict experimental data not used for the estimation of the extrinsic model parameters. For example, the model was able to predict reasonably well the substrate and temperature dependency of mitochondrial oxygen consumption, kinetics of NADH redox status, and the kinetics of mitochondrial accumulation of the cationic dye rhodamine 123, driven by mitochondrial membrane potential, under different respiratory states. The latter required the coupling of the integrated bioenergetics model to a pharmacokinetic model for the mitochondrial uptake of rhodamine 123 from buffer. The integrated bioenergetics model provides a mechanistic and quantitative framework for 1) integrating experimental data from isolated lung mitochondria under diverse experimental conditions, and 2) assessing the impact of a change in one or more mitochondrial processes on overall lung mitochondrial bioenergetics. In addition, the model provides important insights into the bioenergetics and respiration of lung mitochondria and how they differ from those of mitochondria from other organs. To the best of our knowledge, this model is the first for the bioenergetics of isolated lung mitochondria.

Evaluating the Theoretic Adequacy and Applied Potential of Computational Models of the Spacing Effect.

PubMed

Walsh, Matthew M; Gluck, Kevin A; Gunzelmann, Glenn; Jastrzembski, Tiffany; Krusmark, Michael

2018-06-01

The spacing effect is among the most widely replicated empirical phenomena in the learning sciences, and its relevance to education and training is readily apparent. Yet successful applications of spacing effect research to education and training is rare. Computational modeling can provide the crucial link between a century of accumulated experimental data on the spacing effect and the emerging interest in using that research to enable adaptive instruction. In this paper, we review relevant literature and identify 10 criteria for rigorously evaluating computational models of the spacing effect. Five relate to evaluating the theoretic adequacy of a model, and five relate to evaluating its application potential. We use these criteria to evaluate a novel computational model of the spacing effect called the Predictive Performance Equation (PPE). Predictive Performance Equation combines elements of earlier models of learning and memory including the General Performance Equation, Adaptive Control of Thought-Rational, and the New Theory of Disuse, giving rise to a novel computational account of the spacing effect that performs favorably across the complete sets of theoretic and applied criteria. We implemented two other previously published computational models of the spacing effect and compare them to PPE using the theoretic and applied criteria as guides. Copyright © 2018 Cognitive Science Society, Inc.

System capacity and economic modeling computer tool for satellite mobile communications systems

NASA Technical Reports Server (NTRS)

Wiedeman, Robert A.; Wen, Doong; Mccracken, Albert G.

1988-01-01

A unique computer modeling tool that combines an engineering tool with a financial analysis program is described. The resulting combination yields a flexible economic model that can predict the cost effectiveness of various mobile systems. Cost modeling is necessary in order to ascertain if a given system with a finite satellite resource is capable of supporting itself financially and to determine what services can be supported. Personal computer techniques using Lotus 123 are used for the model in order to provide as universal an application as possible such that the model can be used and modified to fit many situations and conditions. The output of the engineering portion of the model consists of a channel capacity analysis and link calculations for several qualities of service using up to 16 types of earth terminal configurations. The outputs of the financial model are a revenue analysis, an income statement, and a cost model validation section.

Design and implementation of space physics multi-model application integration based on web

NASA Astrophysics Data System (ADS)

Jiang, Wenping; Zou, Ziming

With the development of research on space environment and space science, how to develop network online computing environment of space weather, space environment and space physics models for Chinese scientific community is becoming more and more important in recent years. Currently, There are two software modes on space physics multi-model application integrated system (SPMAIS) such as C/S and B/S. the C/S mode which is traditional and stand-alone, demands a team or workshop from many disciplines and specialties to build their own multi-model application integrated system, that requires the client must be deployed in different physical regions when user visits the integrated system. Thus, this requirement brings two shortcomings: reducing the efficiency of researchers who use the models to compute; inconvenience of accessing the data. Therefore, it is necessary to create a shared network resource access environment which could help users to visit the computing resources of space physics models through the terminal quickly for conducting space science research and forecasting spatial environment. The SPMAIS develops high-performance, first-principles in B/S mode based on computational models of the space environment and uses these models to predict "Space Weather", to understand space mission data and to further our understanding of the solar system. the main goal of space physics multi-model application integration system (SPMAIS) is to provide an easily and convenient user-driven online models operating environment. up to now, the SPMAIS have contained dozens of space environment models , including international AP8/AE8 IGRF T96 models and solar proton prediction model geomagnetic transmission model etc. which are developed by Chinese scientists. another function of SPMAIS is to integrate space observation data sets which offers input data for models online high-speed computing. In this paper, service-oriented architecture (SOA) concept that divides system into independent modules according to different business needs is applied to solve the problem of the independence of the physical space between multiple models. The classic MVC(Model View Controller) software design pattern is concerned to build the architecture of space physics multi-model application integrated system. The JSP+servlet+javabean technology is used to integrate the web application programs of space physics multi-model. It solves the problem of multi-user requesting the same job of model computing and effectively balances each server computing tasks. In addition, we also complete follow tasks: establishing standard graphical user interface based on Java Applet application program; Designing the interface between model computing and model computing results visualization; Realizing three-dimensional network visualization without plug-ins; Using Java3D technology to achieve a three-dimensional network scene interaction; Improved ability to interact with web pages and dynamic execution capabilities, including rendering three-dimensional graphics, fonts and color control. Through the design and implementation of the SPMAIS based on Web, we provide an online computing and application runtime environment of space physics multi-model. The practical application improves that researchers could be benefit from our system in space physics research and engineering applications.

Computer aided stress analysis of long bones utilizing computer tomography

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

Marom, S.A.

1986-01-01

A computer aided analysis method, utilizing computed tomography (CT) has been developed, which together with a finite element program determines the stress-displacement pattern in a long bone section. The CT data file provides the geometry, the density and the material properties for the generated finite element model. A three-dimensional finite element model of a tibial shaft is automatically generated from the CT file by a pre-processing procedure for a finite element program. The developed pre-processor includes an edge detection algorithm which determines the boundaries of the reconstructed cross-sectional images of the scanned bone. A mesh generation procedure than automatically generatesmore » a three-dimensional mesh of a user-selected refinement. The elastic properties needed for the stress analysis are individually determined for each model element using the radiographic density (CT number) of each pixel with the elemental borders. The elastic modulus is determined from the CT radiographic density by using an empirical relationship from the literature. The generated finite element model, together with applied loads, determined from existing gait analysis and initial displacements, comprise a formatted input for the SAP IV finite element program. The output of this program, stresses and displacements at the model elements and nodes, are sorted and displayed by a developed post-processor to provide maximum and minimum values at selected locations in the model.« less

Spatiotemporal Dynamics and Reliable Computations in Recurrent Spiking Neural Networks

NASA Astrophysics Data System (ADS)

Pyle, Ryan; Rosenbaum, Robert

2017-01-01

Randomly connected networks of excitatory and inhibitory spiking neurons provide a parsimonious model of neural variability, but are notoriously unreliable for performing computations. We show that this difficulty is overcome by incorporating the well-documented dependence of connection probability on distance. Spatially extended spiking networks exhibit symmetry-breaking bifurcations and generate spatiotemporal patterns that can be trained to perform dynamical computations under a reservoir computing framework.

Effect of Pt Doping on Nucleation and Crystallization in Li2O.2SiO2 Glass: Experimental Measurements and Computer Modeling

NASA Technical Reports Server (NTRS)

Narayan, K. Lakshmi; Kelton, K. F.; Ray, C. S.

1996-01-01

Heterogeneous nucleation and its effects on the crystallization of lithium disilicate glass containing small amounts of Pt are investigated. Measurements of the nucleation frequencies and induction times with and without Pt are shown to be consistent with predictions based on the classical nucleation theory. A realistic computer model for the transformation is presented. Computed differential thermal analysis data (such as crystallization rates as a function of time and temperature) are shown to be in good agreement with experimental results. This modeling provides a new, more quantitative method for analyzing calorimetric data.

CFD studies on biomass thermochemical conversion.

PubMed

Wang, Yiqun; Yan, Lifeng

2008-06-01

Thermochemical conversion of biomass offers an efficient and economically process to provide gaseous, liquid and solid fuels and prepare chemicals derived from biomass. Computational fluid dynamic (CFD) modeling applications on biomass thermochemical processes help to optimize the design and operation of thermochemical reactors. Recent progression in numerical techniques and computing efficacy has advanced CFD as a widely used approach to provide efficient design solutions in industry. This paper introduces the fundamentals involved in developing a CFD solution. Mathematical equations governing the fluid flow, heat and mass transfer and chemical reactions in thermochemical systems are described and sub-models for individual processes are presented. It provides a review of various applications of CFD in the biomass thermochemical process field.

Personal computer study of finite-difference methods for the transonic small disturbance equation

NASA Technical Reports Server (NTRS)

Bland, Samuel R.

1989-01-01

Calculation of unsteady flow phenomena requires careful attention to the numerical treatment of the governing partial differential equations. The personal computer provides a convenient and useful tool for the development of meshes, algorithms, and boundary conditions needed to provide time accurate solution of these equations. The one-dimensional equation considered provides a suitable model for the study of wave propagation in the equations of transonic small disturbance potential flow. Numerical results for effects of mesh size, extent, and stretching, time step size, and choice of far-field boundary conditions are presented. Analysis of the discretized model problem supports these numerical results. Guidelines for suitable mesh and time step choices are given.

CFD Studies on Biomass Thermochemical Conversion

PubMed Central

Wang, Yiqun; Yan, Lifeng

2008-01-01

Thermochemical conversion of biomass offers an efficient and economically process to provide gaseous, liquid and solid fuels and prepare chemicals derived from biomass. Computational fluid dynamic (CFD) modeling applications on biomass thermochemical processes help to optimize the design and operation of thermochemical reactors. Recent progression in numerical techniques and computing efficacy has advanced CFD as a widely used approach to provide efficient design solutions in industry. This paper introduces the fundamentals involved in developing a CFD solution. Mathematical equations governing the fluid flow, heat and mass transfer and chemical reactions in thermochemical systems are described and sub-models for individual processes are presented. It provides a review of various applications of CFD in the biomass thermochemical process field. PMID:19325848

Geometric modeling for computer aided design

NASA Technical Reports Server (NTRS)

Schwing, James L.

1992-01-01

The goal was the design and implementation of software to be used in the conceptual design of aerospace vehicles. Several packages and design studies were completed, including two software tools currently used in the conceptual level design of aerospace vehicles. These tools are the Solid Modeling Aerospace Research Tool (SMART) and the Environment for Software Integration and Execution (EASIE). SMART provides conceptual designers with a rapid prototyping capability and additionally provides initial mass property analysis. EASIE provides a set of interactive utilities that simplify the task of building and executing computer aided design systems consisting of diverse, stand alone analysis codes that result in the streamlining of the exchange of data between programs, reducing errors and improving efficiency.

Tomography in Geology: 3D Modeling and Analysis of Structural Features of Rocks Using Computed MicroTomography

NASA Astrophysics Data System (ADS)

Ponomarev, A. A.; Mamadaliev, R. A.; Semenova, T. V.

2016-10-01

The article presents a brief overview of the current state of computed tomography in the sphere of oil and gas production in Russia and in the world. Operation of computed microtomograph Skyscan 1172 is also provided, as well as personal examples of its application in solving geological problems.

Inclusion of Mobility-Impaired Children in the One-to-One Computing Era: A Case Study

ERIC Educational Resources Information Center

Mangiatordi, Andrea

2012-01-01

In recent times many developing countries have adopted a one-to-one model for distributing computers in classrooms. Among the various effects that such an approach could imply, it surely increases the availability of computer-related Assistive Technology at school and provides higher resources for empowering disabled children in their learning and…

Computational Toxicology as Implemented by the U.S. EPA: Providing High Throughput Decision Support Tools for Screening and Assessing Chemical Exposure, Hazard and Risk

EPA Science Inventory

Computational toxicology is the application of mathematical and computer models to help assess chemical hazards and risks to human health and the environment. Supported by advances in informatics, high-throughput screening (HTS) technologies, and systems biology, the U.S. Environ...

Computer-aided light sheet flow visualization using photogrammetry

NASA Technical Reports Server (NTRS)

Stacy, Kathryn; Severance, Kurt; Childers, Brooks A.

1994-01-01

A computer-aided flow visualization process has been developed to analyze video images acquired from rotating and translating light sheet visualization systems. The computer process integrates a mathematical model for image reconstruction, advanced computer graphics concepts, and digital image processing to provide a quantitative and a visual analysis capability. The image reconstruction model, based on photogrammetry, uses knowledge of the camera and light sheet locations and orientations to project two-dimensional light sheet video images into three-dimensional space. A sophisticated computer visualization package, commonly used to analyze computational fluid dynamics (CFD) results, was chosen to interactively display the reconstructed light sheet images with the numerical surface geometry for the model or aircraft under study. The photogrammetric reconstruction technique and the image processing and computer graphics techniques and equipment are described. Results of the computer-aided process applied to both a wind tunnel translating light sheet experiment and an in-flight rotating light sheet experiment are presented. The capability to compare reconstructed experimental light sheet images with CFD solutions in the same graphics environment is also demonstrated.

CPMIP: measurements of real computational performance of Earth system models in CMIP6

NASA Astrophysics Data System (ADS)

Balaji, Venkatramani; Maisonnave, Eric; Zadeh, Niki; Lawrence, Bryan N.; Biercamp, Joachim; Fladrich, Uwe; Aloisio, Giovanni; Benson, Rusty; Caubel, Arnaud; Durachta, Jeffrey; Foujols, Marie-Alice; Lister, Grenville; Mocavero, Silvia; Underwood, Seth; Wright, Garrett

2017-01-01

A climate model represents a multitude of processes on a variety of timescales and space scales: a canonical example of multi-physics multi-scale modeling. The underlying climate system is physically characterized by sensitive dependence on initial conditions, and natural stochastic variability, so very long integrations are needed to extract signals of climate change. Algorithms generally possess weak scaling and can be I/O and/or memory-bound. Such weak-scaling, I/O, and memory-bound multi-physics codes present particular challenges to computational performance. Traditional metrics of computational efficiency such as performance counters and scaling curves do not tell us enough about real sustained performance from climate models on different machines. They also do not provide a satisfactory basis for comparative information across models. codes present particular challenges to computational performance. We introduce a set of metrics that can be used for the study of computational performance of climate (and Earth system) models. These measures do not require specialized software or specific hardware counters, and should be accessible to anyone. They are independent of platform and underlying parallel programming models. We show how these metrics can be used to measure actually attained performance of Earth system models on different machines, and identify the most fruitful areas of research and development for performance engineering. codes present particular challenges to computational performance. We present results for these measures for a diverse suite of models from several modeling centers, and propose to use these measures as a basis for a CPMIP, a computational performance model intercomparison project (MIP).

CLIMACS: a computer model of forest stand development for western Oregon and Washington.

Treesearch

Virginia H. Dale; Miles Hemstrom

1984-01-01

A simulation model for the development of timber stands in the Pacific Northwest is described. The model grows individual trees of 21 species in a 0.20-hectare (0.08-acre) forest gap. The model provides a means of assimilating existing information, indicates where knowledge is deficient, suggests where the forest system is most sensitive, and provides a first testing...

Toward synthesizing executable models in biology.

PubMed

Fisher, Jasmin; Piterman, Nir; Bodik, Rastislav

2014-01-01

Over the last decade, executable models of biological behaviors have repeatedly provided new scientific discoveries, uncovered novel insights, and directed new experimental avenues. These models are computer programs whose execution mechanistically simulates aspects of the cell's behaviors. If the observed behavior of the program agrees with the observed biological behavior, then the program explains the phenomena. This approach has proven beneficial for gaining new biological insights and directing new experimental avenues. One advantage of this approach is that techniques for analysis of computer programs can be applied to the analysis of executable models. For example, one can confirm that a model agrees with experiments for all possible executions of the model (corresponding to all environmental conditions), even if there are a huge number of executions. Various formal methods have been adapted for this context, for example, model checking or symbolic analysis of state spaces. To avoid manual construction of executable models, one can apply synthesis, a method to produce programs automatically from high-level specifications. In the context of biological modeling, synthesis would correspond to extracting executable models from experimental data. We survey recent results about the usage of the techniques underlying synthesis of computer programs for the inference of biological models from experimental data. We describe synthesis of biological models from curated mutation experiment data, inferring network connectivity models from phosphoproteomic data, and synthesis of Boolean networks from gene expression data. While much work has been done on automated analysis of similar datasets using machine learning and artificial intelligence, using synthesis techniques provides new opportunities such as efficient computation of disambiguating experiments, as well as the ability to produce different kinds of models automatically from biological data.

Real-time slicing algorithm for Stereolithography (STL) CAD model applied in additive manufacturing industry

NASA Astrophysics Data System (ADS)

Adnan, F. A.; Romlay, F. R. M.; Shafiq, M.

2018-04-01

Owing to the advent of the industrial revolution 4.0, the need for further evaluating processes applied in the additive manufacturing application particularly the computational process for slicing is non-trivial. This paper evaluates a real-time slicing algorithm for slicing an STL formatted computer-aided design (CAD). A line-plane intersection equation was applied to perform the slicing procedure at any given height. The application of this algorithm has found to provide a better computational time regardless the number of facet in the STL model. The performance of this algorithm is evaluated by comparing the results of the computational time for different geometry.

A computationally inexpensive model for estimating dimensional measurement uncertainty due to x-ray computed tomography instrument misalignments

NASA Astrophysics Data System (ADS)

Ametova, Evelina; Ferrucci, Massimiliano; Chilingaryan, Suren; Dewulf, Wim

2018-06-01

The recent emergence of advanced manufacturing techniques such as additive manufacturing and an increased demand on the integrity of components have motivated research on the application of x-ray computed tomography (CT) for dimensional quality control. While CT has shown significant empirical potential for this purpose, there is a need for metrological research to accelerate the acceptance of CT as a measuring instrument. The accuracy in CT-based measurements is vulnerable to the instrument geometrical configuration during data acquisition, namely the relative position and orientation of x-ray source, rotation stage, and detector. Consistency between the actual instrument geometry and the corresponding parameters used in the reconstruction algorithm is critical. Currently available procedures provide users with only estimates of geometrical parameters. Quantification and propagation of uncertainty in the measured geometrical parameters must be considered to provide a complete uncertainty analysis and to establish confidence intervals for CT dimensional measurements. In this paper, we propose a computationally inexpensive model to approximate the influence of errors in CT geometrical parameters on dimensional measurement results. We use surface points extracted from a computer-aided design (CAD) model to model discrepancies in the radiographic image coordinates assigned to the projected edges between an aligned system and a system with misalignments. The efficacy of the proposed method was confirmed on simulated and experimental data in the presence of various geometrical uncertainty contributors.

Highly parameterized model calibration with cloud computing: an example of regional flow model calibration in northeast Alberta, Canada

NASA Astrophysics Data System (ADS)

Hayley, Kevin; Schumacher, J.; MacMillan, G. J.; Boutin, L. C.

2014-05-01

Expanding groundwater datasets collected by automated sensors, and improved groundwater databases, have caused a rapid increase in calibration data available for groundwater modeling projects. Improved methods of subsurface characterization have increased the need for model complexity to represent geological and hydrogeological interpretations. The larger calibration datasets and the need for meaningful predictive uncertainty analysis have both increased the degree of parameterization necessary during model calibration. Due to these competing demands, modern groundwater modeling efforts require a massive degree of parallelization in order to remain computationally tractable. A methodology for the calibration of highly parameterized, computationally expensive models using the Amazon EC2 cloud computing service is presented. The calibration of a regional-scale model of groundwater flow in Alberta, Canada, is provided as an example. The model covers a 30,865-km2 domain and includes 28 hydrostratigraphic units. Aquifer properties were calibrated to more than 1,500 static hydraulic head measurements and 10 years of measurements during industrial groundwater use. Three regionally extensive aquifers were parameterized (with spatially variable hydraulic conductivity fields), as was the aerial recharge boundary condition, leading to 450 adjustable parameters in total. The PEST-based model calibration was parallelized on up to 250 computing nodes located on Amazon's EC2 servers.

Modelling parallel programs and multiprocessor architectures with AXE

NASA Technical Reports Server (NTRS)

Yan, Jerry C.; Fineman, Charles E.

1991-01-01

AXE, An Experimental Environment for Parallel Systems, was designed to model and simulate for parallel systems at the process level. It provides an integrated environment for specifying computation models, multiprocessor architectures, data collection, and performance visualization. AXE is being used at NASA-Ames for developing resource management strategies, parallel problem formulation, multiprocessor architectures, and operating system issues related to the High Performance Computing and Communications Program. AXE's simple, structured user-interface enables the user to model parallel programs and machines precisely and efficiently. Its quick turn-around time keeps the user interested and productive. AXE models multicomputers. The user may easily modify various architectural parameters including the number of sites, connection topologies, and overhead for operating system activities. Parallel computations in AXE are represented as collections of autonomous computing objects known as players. Their use and behavior is described. Performance data of the multiprocessor model can be observed on a color screen. These include CPU and message routing bottlenecks, and the dynamic status of the software.

The promises and pitfalls of applying computational models to neurological and psychiatric disorders.

PubMed

Teufel, Christoph; Fletcher, Paul C

2016-10-01

Computational models have become an integral part of basic neuroscience and have facilitated some of the major advances in the field. More recently, such models have also been applied to the understanding of disruptions in brain function. In this review, using examples and a simple analogy, we discuss the potential for computational models to inform our understanding of brain function and dysfunction. We argue that they may provide, in unprecedented detail, an understanding of the neurobiological and mental basis of brain disorders and that such insights will be key to progress in diagnosis and treatment. However, there are also potential problems attending this approach. We highlight these and identify simple principles that should always govern the use of computational models in clinical neuroscience, noting especially the importance of a clear specification of a model's purpose and of the mapping between mathematical concepts and reality. © The Author (2016). Published by Oxford University Press on behalf of the Guarantors of Brain.

Using Modeling and Simulation to Complement Testing for Increased Understanding of Weapon Subassembly Response.

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

Wong, Michael K.; Davidson, Megan

As part of Sandia’s nuclear deterrence mission, the B61-12 Life Extension Program (LEP) aims to modernize the aging weapon system. Modernization requires requalification and Sandia is using high performance computing to perform advanced computational simulations to better understand, evaluate, and verify weapon system performance in conjunction with limited physical testing. The Nose Bomb Subassembly (NBSA) of the B61-12 is responsible for producing a fuzing signal upon ground impact. The fuzing signal is dependent upon electromechanical impact sensors producing valid electrical fuzing signals at impact. Computer generated models were used to assess the timing between the impact sensor’s response to themore » deceleration of impact and damage to major components and system subassemblies. The modeling and simulation team worked alongside the physical test team to design a large-scale reverse ballistic test to not only assess system performance, but to also validate their computational models. The reverse ballistic test conducted at Sandia’s sled test facility sent a rocket sled with a representative target into a stationary B61-12 (NBSA) to characterize the nose crush and functional response of NBSA components. Data obtained from data recorders and high-speed photometrics were integrated with previously generated computer models in order to refine and validate the model’s ability to reliably simulate real-world effects. Large-scale tests are impractical to conduct for every single impact scenario. By creating reliable computer models, we can perform simulations that identify trends and produce estimates of outcomes over the entire range of required impact conditions. Sandia’s HPCs enable geometric resolution that was unachievable before, allowing for more fidelity and detail, and creating simulations that can provide insight to support evaluation of requirements and performance margins. As computing resources continue to improve, researchers at Sandia are hoping to improve these simulations so they provide increasingly credible analysis of the system response and performance over the full range of conditions.« less

Π4U: A high performance computing framework for Bayesian uncertainty quantification of complex models

NASA Astrophysics Data System (ADS)

Hadjidoukas, P. E.; Angelikopoulos, P.; Papadimitriou, C.; Koumoutsakos, P.

2015-03-01

We present Π4U, an extensible framework, for non-intrusive Bayesian Uncertainty Quantification and Propagation (UQ+P) of complex and computationally demanding physical models, that can exploit massively parallel computer architectures. The framework incorporates Laplace asymptotic approximations as well as stochastic algorithms, along with distributed numerical differentiation and task-based parallelism for heterogeneous clusters. Sampling is based on the Transitional Markov Chain Monte Carlo (TMCMC) algorithm and its variants. The optimization tasks associated with the asymptotic approximations are treated via the Covariance Matrix Adaptation Evolution Strategy (CMA-ES). A modified subset simulation method is used for posterior reliability measurements of rare events. The framework accommodates scheduling of multiple physical model evaluations based on an adaptive load balancing library and shows excellent scalability. In addition to the software framework, we also provide guidelines as to the applicability and efficiency of Bayesian tools when applied to computationally demanding physical models. Theoretical and computational developments are demonstrated with applications drawn from molecular dynamics, structural dynamics and granular flow.

Coalescent: an open-science framework for importance sampling in coalescent theory.

PubMed

Tewari, Susanta; Spouge, John L

2015-01-01

Background. In coalescent theory, computer programs often use importance sampling to calculate likelihoods and other statistical quantities. An importance sampling scheme can exploit human intuition to improve statistical efficiency of computations, but unfortunately, in the absence of general computer frameworks on importance sampling, researchers often struggle to translate new sampling schemes computationally or benchmark against different schemes, in a manner that is reliable and maintainable. Moreover, most studies use computer programs lacking a convenient user interface or the flexibility to meet the current demands of open science. In particular, current computer frameworks can only evaluate the efficiency of a single importance sampling scheme or compare the efficiencies of different schemes in an ad hoc manner. Results. We have designed a general framework (http://coalescent.sourceforge.net; language: Java; License: GPLv3) for importance sampling that computes likelihoods under the standard neutral coalescent model of a single, well-mixed population of constant size over time following infinite sites model of mutation. The framework models the necessary core concepts, comes integrated with several data sets of varying size, implements the standard competing proposals, and integrates tightly with our previous framework for calculating exact probabilities. For a given dataset, it computes the likelihood and provides the maximum likelihood estimate of the mutation parameter. Well-known benchmarks in the coalescent literature validate the accuracy of the framework. The framework provides an intuitive user interface with minimal clutter. For performance, the framework switches automatically to modern multicore hardware, if available. It runs on three major platforms (Windows, Mac and Linux). Extensive tests and coverage make the framework reliable and maintainable. Conclusions. In coalescent theory, many studies of computational efficiency consider only effective sample size. Here, we evaluate proposals in the coalescent literature, to discover that the order of efficiency among the three importance sampling schemes changes when one considers running time as well as effective sample size. We also describe a computational technique called "just-in-time delegation" available to improve the trade-off between running time and precision by constructing improved importance sampling schemes from existing ones. Thus, our systems approach is a potential solution to the "2(8) programs problem" highlighted by Felsenstein, because it provides the flexibility to include or exclude various features of similar coalescent models or importance sampling schemes.

JUPITER: Joint Universal Parameter IdenTification and Evaluation of Reliability - An Application Programming Interface (API) for Model Analysis

USGS Publications Warehouse

Banta, Edward R.; Poeter, Eileen P.; Doherty, John E.; Hill, Mary C.

2006-01-01

he Joint Universal Parameter IdenTification and Evaluation of Reliability Application Programming Interface (JUPITER API) improves the computer programming resources available to those developing applications (computer programs) for model analysis.The JUPITER API consists of eleven Fortran-90 modules that provide for encapsulation of data and operations on that data. Each module contains one or more entities: data, data types, subroutines, functions, and generic interfaces. The modules do not constitute computer programs themselves; instead, they are used to construct computer programs. Such computer programs are called applications of the API. The API provides common modeling operations for use by a variety of computer applications.The models being analyzed are referred to here as process models, and may, for example, represent the physics, chemistry, and(or) biology of a field or laboratory system. Process models commonly are constructed using published models such as MODFLOW (Harbaugh et al., 2000; Harbaugh, 2005), MT3DMS (Zheng and Wang, 1996), HSPF (Bicknell et al., 1997), PRMS (Leavesley and Stannard, 1995), and many others. The process model may be accessed by a JUPITER API application as an external program, or it may be implemented as a subroutine within a JUPITER API application . In either case, execution of the model takes place in a framework designed by the application programmer. This framework can be designed to take advantage of any parallel processing capabilities possessed by the process model, as well as the parallel-processing capabilities of the JUPITER API.Model analyses for which the JUPITER API could be useful include, for example: Compare model results to observed values to determine how well the model reproduces system processes and characteristics.Use sensitivity analysis to determine the information provided by observations to parameters and predictions of interest.Determine the additional data needed to improve selected model predictions.Use calibration methods to modify parameter values and other aspects of the model.Compare predictions to regulatory limits.Quantify the uncertainty of predictions based on the results of one or many simulations using inferential or Monte Carlo methods.Determine how to manage the system to achieve stated objectives.The capabilities provided by the JUPITER API include, for example, communication with process models, parallel computations, compressed storage of matrices, and flexible input capabilities. The input capabilities use input blocks suitable for lists or arrays of data. The input blocks needed for one application can be included within one data file or distributed among many files. Data exchange between different JUPITER API applications or between applications and other programs is supported by data-exchange files.The JUPITER API has already been used to construct a number of applications. Three simple example applications are presented in this report. More complicated applications include the universal inverse code UCODE_2005 (Poeter et al., 2005), the multi-model analysis MMA (Eileen P. Poeter, Mary C. Hill, E.R. Banta, S.W. Mehl, and Steen Christensen, written commun., 2006), and a code named OPR_PPR (Matthew J. Tonkin, Claire R. Tiedeman, Mary C. Hill, and D. Matthew Ely, written communication, 2006).This report describes a set of underlying organizational concepts and complete specifics about the JUPITER API. While understanding the organizational concept presented is useful to understanding the modules, other organizational concepts can be used in applications constructed using the JUPITER API.

Integrated computer-aided design using minicomputers

NASA Technical Reports Server (NTRS)

Storaasli, O. O.

1980-01-01

Computer-Aided Design/Computer-Aided Manufacturing (CAD/CAM), a highly interactive software, has been implemented on minicomputers at the NASA Langley Research Center. CAD/CAM software integrates many formerly fragmented programs and procedures into one cohesive system; it also includes finite element modeling and analysis, and has been interfaced via a computer network to a relational data base management system and offline plotting devices on mainframe computers. The CAD/CAM software system requires interactive graphics terminals operating at a minimum of 4800 bits/sec transfer rate to a computer. The system is portable and introduces 'interactive graphics', which permits the creation and modification of models interactively. The CAD/CAM system has already produced designs for a large area space platform, a national transonic facility fan blade, and a laminar flow control wind tunnel model. Besides the design/drafting element analysis capability, CAD/CAM provides options to produce an automatic program tooling code to drive a numerically controlled (N/C) machine. Reductions in time for design, engineering, drawing, finite element modeling, and N/C machining will benefit productivity through reduced costs, fewer errors, and a wider range of configuration.

A computational model of selection by consequences.

PubMed Central

McDowell, J J

2004-01-01

Darwinian selection by consequences was instantiated in a computational model that consisted of a repertoire of behaviors undergoing selection, reproduction, and mutation over many generations. The model in effect created a digital organism that emitted behavior continuously. The behavior of this digital organism was studied in three series of computational experiments that arranged reinforcement according to random-interval (RI) schedules. The quantitative features of the model were varied over wide ranges in these experiments, and many of the qualitative features of the model also were varied. The digital organism consistently showed a hyperbolic relation between response and reinforcement rates, and this hyperbolic description of the data was consistently better than the description provided by other, similar, function forms. In addition, the parameters of the hyperbola varied systematically with the quantitative, and some of the qualitative, properties of the model in ways that were consistent with findings from biological organisms. These results suggest that the material events responsible for an organism's responding on RI schedules are computationally equivalent to Darwinian selection by consequences. They also suggest that the computational model developed here is worth pursuing further as a possible dynamic account of behavior. PMID:15357512

A computer simulation model of Wolbachia invasion for disease vector population modification.

PubMed

Guevara-Souza, Mauricio; Vallejo, Edgar E

2015-10-05

Wolbachia invasion has been proved to be a promising alternative for controlling vector-borne diseases, particularly Dengue fever. Creating computer models that can provide insight into how vector population modification can be achieved under different conditions would be most valuable for assessing the efficacy of control strategies for this disease. In this paper, we present a computer model that simulates the behavior of native mosquito populations after the introduction of mosquitoes infected with the Wolbachia bacteria. We studied how different factors such as fecundity, fitness cost of infection, migration rates, number of populations, population size, and number of introduced infected mosquitoes affect the spread of the Wolbachia bacteria among native mosquito populations. Two main scenarios of the island model are presented in this paper, with infected mosquitoes introduced into the largest source population and peripheral populations. Overall, the results are promising; Wolbachia infection spreads among native populations and the computer model is capable of reproducing the results obtained by mathematical models and field experiments. Computer models can be very useful for gaining insight into how Wolbachia invasion works and are a promising alternative for complementing experimental and mathematical approaches for vector-borne disease control.

LORAN-C LATITUDE-LONGITUDE CONVERSION AT SEA: PROGRAMMING CONSIDERATIONS.

USGS Publications Warehouse

McCullough, James R.; Irwin, Barry J.; Bowles, Robert M.

1985-01-01

Comparisons are made of the precision of arc-length routines as computer precision is reduced. Overland propagation delays are discussed and illustrated with observations from offshore New England. Present practice of LORAN-C error budget modeling is then reviewed with the suggestion that additional terms be considered in future modeling. Finally, some detailed numeric examples are provided to help with new computer program checkout.

Local-Area-Network Simulator

NASA Technical Reports Server (NTRS)

Gibson, Jim; Jordan, Joe; Grant, Terry

1990-01-01

Local Area Network Extensible Simulator (LANES) computer program provides method for simulating performance of high-speed local-area-network (LAN) technology. Developed as design and analysis software tool for networking computers on board proposed Space Station. Load, network, link, and physical layers of layered network architecture all modeled. Mathematically models according to different lower-layer protocols: Fiber Distributed Data Interface (FDDI) and Star*Bus. Written in FORTRAN 77.

Wild Fire Computer Model Helps Firefighters

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

Canfield, Jesse

2012-09-04

A high-tech computer model called HIGRAD/FIRETEC, the cornerstone of a collaborative effort between U.S. Forest Service Rocky Mountain Research Station and Los Alamos National Laboratory, provides insights that are essential for front-line fire fighters. The science team is looking into levels of bark beetle-induced conditions that lead to drastic changes in fire behavior and how variable or erratic the behavior is likely to be.

Wild Fire Computer Model Helps Firefighters

ScienceCinema

Canfield, Jesse

2018-02-14

A high-tech computer model called HIGRAD/FIRETEC, the cornerstone of a collaborative effort between U.S. Forest Service Rocky Mountain Research Station and Los Alamos National Laboratory, provides insights that are essential for front-line fire fighters. The science team is looking into levels of bark beetle-induced conditions that lead to drastic changes in fire behavior and how variable or erratic the behavior is likely to be.

Cloud Computing

DTIC Science & Technology

2009-11-12

Service (IaaS) Software -as-a- Service ( SaaS ) Cloud Computing Types Platform-as-a- Service (PaaS) Based on Type of Capability Based on access Based...Mellon University Software -as-a- Service ( SaaS ) Application-specific capabilities, e.g., service that provides customer management Allows organizations...as a Service ( SaaS ) Model of software deployment in which a provider licenses an application to customers for use as a service on

Model-as-a-service (MaaS) using the cloud service innovation platform (CSIP)

USDA-ARS?s Scientific Manuscript database

Cloud infrastructures for modelling activities such as data processing, performing environmental simulations, or conducting model calibrations/optimizations provide a cost effective alternative to traditional high performance computing approaches. Cloud-based modelling examples emerged into the more...

Space shuttle propulsion parameter estimation using optional estimation techniques

NASA Technical Reports Server (NTRS)

1983-01-01

A regression analyses on tabular aerodynamic data provided. A representative aerodynamic model for coefficient estimation. It also reduced the storage requirements for the "normal' model used to check out the estimation algorithms. The results of the regression analyses are presented. The computer routines for the filter portion of the estimation algorithm and the :"bringing-up' of the SRB predictive program on the computer was developed. For the filter program, approximately 54 routines were developed. The routines were highly subsegmented to facilitate overlaying program segments within the partitioned storage space on the computer.

The Future of Electronic Device Design: Device and Process Simulation Find Intelligence on the World Wide Web

NASA Technical Reports Server (NTRS)

Biegel, Bryan A.

1999-01-01

We are on the path to meet the major challenges ahead for TCAD (technology computer aided design). The emerging computational grid will ultimately solve the challenge of limited computational power. The Modular TCAD Framework will solve the TCAD software challenge once TCAD software developers realize that there is no other way to meet industry's needs. The modular TCAD framework (MTF) also provides the ideal platform for solving the TCAD model challenge by rapid implementation of models in a partial differential solver.

Dispersion in Spherical Water Drops.

ERIC Educational Resources Information Center

Eliason, John C., Jr.

1989-01-01

Discusses a laboratory exercise simulating the paths of light rays through spherical water drops by applying principles of ray optics and geometry. Describes four parts: determining the output angles, computer simulation, explorations, model testing, and solutions. Provides a computer program and some diagrams. (YP)

Footwear Physics.

ERIC Educational Resources Information Center

Blaser, Mark; Larsen, Jamie

1996-01-01

Presents five interactive, computer-based activities that mimic scientific tests used by sport researchers to help companies design high-performance athletic shoes, including impact tests, flexion tests, friction tests, video analysis, and computer modeling. Provides a platform for teachers to build connections between chemistry (polymer science),…

PRECONDITIONED CONJUGATE-GRADIENT 2 (PCG2), a computer program for solving ground-water flow equations

USGS Publications Warehouse

Hill, Mary C.

1990-01-01

This report documents PCG2 : a numerical code to be used with the U.S. Geological Survey modular three-dimensional, finite-difference, ground-water flow model . PCG2 uses the preconditioned conjugate-gradient method to solve the equations produced by the model for hydraulic head. Linear or nonlinear flow conditions may be simulated. PCG2 includes two reconditioning options : modified incomplete Cholesky preconditioning, which is efficient on scalar computers; and polynomial preconditioning, which requires less computer storage and, with modifications that depend on the computer used, is most efficient on vector computers . Convergence of the solver is determined using both head-change and residual criteria. Nonlinear problems are solved using Picard iterations. This documentation provides a description of the preconditioned conjugate gradient method and the two preconditioners, detailed instructions for linking PCG2 to the modular model, sample data inputs, a brief description of PCG2, and a FORTRAN listing.

Reconciliation of the cloud computing model with US federal electronic health record regulations

PubMed Central

2011-01-01

Cloud computing refers to subscription-based, fee-for-service utilization of computer hardware and software over the Internet. The model is gaining acceptance for business information technology (IT) applications because it allows capacity and functionality to increase on the fly without major investment in infrastructure, personnel or licensing fees. Large IT investments can be converted to a series of smaller operating expenses. Cloud architectures could potentially be superior to traditional electronic health record (EHR) designs in terms of economy, efficiency and utility. A central issue for EHR developers in the US is that these systems are constrained by federal regulatory legislation and oversight. These laws focus on security and privacy, which are well-recognized challenges for cloud computing systems in general. EHRs built with the cloud computing model can achieve acceptable privacy and security through business associate contracts with cloud providers that specify compliance requirements, performance metrics and liability sharing. PMID:21727204

Reconciliation of the cloud computing model with US federal electronic health record regulations.

PubMed

Schweitzer, Eugene J

2012-01-01

Cloud computing refers to subscription-based, fee-for-service utilization of computer hardware and software over the Internet. The model is gaining acceptance for business information technology (IT) applications because it allows capacity and functionality to increase on the fly without major investment in infrastructure, personnel or licensing fees. Large IT investments can be converted to a series of smaller operating expenses. Cloud architectures could potentially be superior to traditional electronic health record (EHR) designs in terms of economy, efficiency and utility. A central issue for EHR developers in the US is that these systems are constrained by federal regulatory legislation and oversight. These laws focus on security and privacy, which are well-recognized challenges for cloud computing systems in general. EHRs built with the cloud computing model can achieve acceptable privacy and security through business associate contracts with cloud providers that specify compliance requirements, performance metrics and liability sharing.

Probabilistic Modeling and Visualization of the Flexibility in Morphable Models

NASA Astrophysics Data System (ADS)

Lüthi, M.; Albrecht, T.; Vetter, T.

Statistical shape models, and in particular morphable models, have gained widespread use in computer vision, computer graphics and medical imaging. Researchers have started to build models of almost any anatomical structure in the human body. While these models provide a useful prior for many image analysis task, relatively little information about the shape represented by the morphable model is exploited. We propose a method for computing and visualizing the remaining flexibility, when a part of the shape is fixed. Our method, which is based on Probabilistic PCA, not only leads to an approach for reconstructing the full shape from partial information, but also allows us to investigate and visualize the uncertainty of a reconstruction. To show the feasibility of our approach we performed experiments on a statistical model of the human face and the femur bone. The visualization of the remaining flexibility allows for greater insight into the statistical properties of the shape.

Simple model of hydrophobic hydration.

PubMed

Lukšič, Miha; Urbic, Tomaz; Hribar-Lee, Barbara; Dill, Ken A

2012-05-31

Water is an unusual liquid in its solvation properties. Here, we model the process of transferring a nonpolar solute into water. Our goal was to capture the physical balance between water's hydrogen bonding and van der Waals interactions in a model that is simple enough to be nearly analytical and not heavily computational. We develop a 2-dimensional Mercedes-Benz-like model of water with which we compute the free energy, enthalpy, entropy, and the heat capacity of transfer as a function of temperature, pressure, and solute size. As validation, we find that this model gives the same trends as Monte Carlo simulations of the underlying 2D model and gives qualitative agreement with experiments. The advantages of this model are that it gives simple insights and that computational time is negligible. It may provide a useful starting point for developing more efficient and more realistic 3D models of aqueous solvation.

Manycore Performance-Portability: Kokkos Multidimensional Array Library

DOE PAGES

Edwards, H. Carter; Sunderland, Daniel; Porter, Vicki; ...

2012-01-01

Large, complex scientific and engineering application code have a significant investment in computational kernels to implement their mathematical models. Porting these computational kernels to the collection of modern manycore accelerator devices is a major challenge in that these devices have diverse programming models, application programming interfaces (APIs), and performance requirements. The Kokkos Array programming model provides library-based approach to implement computational kernels that are performance-portable to CPU-multicore and GPGPU accelerator devices. This programming model is based upon three fundamental concepts: (1) manycore compute devices each with its own memory space, (2) data parallel kernels and (3) multidimensional arrays. Kernel executionmore » performance is, especially for NVIDIA® devices, extremely dependent on data access patterns. Optimal data access pattern can be different for different manycore devices – potentially leading to different implementations of computational kernels specialized for different devices. The Kokkos Array programming model supports performance-portable kernels by (1) separating data access patterns from computational kernels through a multidimensional array API and (2) introduce device-specific data access mappings when a kernel is compiled. An implementation of Kokkos Array is available through Trilinos [Trilinos website, http://trilinos.sandia.gov/, August 2011].« less

A parallel implementation of an off-lattice individual-based model of multicellular populations

NASA Astrophysics Data System (ADS)

Harvey, Daniel G.; Fletcher, Alexander G.; Osborne, James M.; Pitt-Francis, Joe

2015-07-01

As computational models of multicellular populations include ever more detailed descriptions of biophysical and biochemical processes, the computational cost of simulating such models limits their ability to generate novel scientific hypotheses and testable predictions. While developments in microchip technology continue to increase the power of individual processors, parallel computing offers an immediate increase in available processing power. To make full use of parallel computing technology, it is necessary to develop specialised algorithms. To this end, we present a parallel algorithm for a class of off-lattice individual-based models of multicellular populations. The algorithm divides the spatial domain between computing processes and comprises communication routines that ensure the model is correctly simulated on multiple processors. The parallel algorithm is shown to accurately reproduce the results of a deterministic simulation performed using a pre-existing serial implementation. We test the scaling of computation time, memory use and load balancing as more processes are used to simulate a cell population of fixed size. We find approximate linear scaling of both speed-up and memory consumption on up to 32 processor cores. Dynamic load balancing is shown to provide speed-up for non-regular spatial distributions of cells in the case of a growing population.

Do Clouds Compute? A Framework for Estimating the Value of Cloud Computing

NASA Astrophysics Data System (ADS)

Klems, Markus; Nimis, Jens; Tai, Stefan

On-demand provisioning of scalable and reliable compute services, along with a cost model that charges consumers based on actual service usage, has been an objective in distributed computing research and industry for a while. Cloud Computing promises to deliver on this objective: consumers are able to rent infrastructure in the Cloud as needed, deploy applications and store data, and access them via Web protocols on a pay-per-use basis. The acceptance of Cloud Computing, however, depends on the ability for Cloud Computing providers and consumers to implement a model for business value co-creation. Therefore, a systematic approach to measure costs and benefits of Cloud Computing is needed. In this paper, we discuss the need for valuation of Cloud Computing, identify key components, and structure these components in a framework. The framework assists decision makers in estimating Cloud Computing costs and to compare these costs to conventional IT solutions. We demonstrate by means of representative use cases how our framework can be applied to real world scenarios.

RosettaScripts: a scripting language interface to the Rosetta macromolecular modeling suite.

PubMed

Fleishman, Sarel J; Leaver-Fay, Andrew; Corn, Jacob E; Strauch, Eva-Maria; Khare, Sagar D; Koga, Nobuyasu; Ashworth, Justin; Murphy, Paul; Richter, Florian; Lemmon, Gordon; Meiler, Jens; Baker, David

2011-01-01

Macromolecular modeling and design are increasingly useful in basic research, biotechnology, and teaching. However, the absence of a user-friendly modeling framework that provides access to a wide range of modeling capabilities is hampering the wider adoption of computational methods by non-experts. RosettaScripts is an XML-like language for specifying modeling tasks in the Rosetta framework. RosettaScripts provides access to protocol-level functionalities, such as rigid-body docking and sequence redesign, and allows fast testing and deployment of complex protocols without need for modifying or recompiling the underlying C++ code. We illustrate these capabilities with RosettaScripts protocols for the stabilization of proteins, the generation of computationally constrained libraries for experimental selection of higher-affinity binding proteins, loop remodeling, small-molecule ligand docking, design of ligand-binding proteins, and specificity redesign in DNA-binding proteins.

A semi-analytical bearing model considering outer race flexibility for model based bearing load monitoring

NASA Astrophysics Data System (ADS)

Kerst, Stijn; Shyrokau, Barys; Holweg, Edward

2018-05-01

This paper proposes a novel semi-analytical bearing model addressing flexibility of the bearing outer race structure. It furthermore presents the application of this model in a bearing load condition monitoring approach. The bearing model is developed as current computational low cost bearing models fail to provide an accurate description of the more and more common flexible size and weight optimized bearing designs due to their assumptions of rigidity. In the proposed bearing model raceway flexibility is described by the use of static deformation shapes. The excitation of the deformation shapes is calculated based on the modelled rolling element loads and a Fourier series based compliance approximation. The resulting model is computational low cost and provides an accurate description of the rolling element loads for flexible outer raceway structures. The latter is validated by a simulation-based comparison study with a well-established bearing simulation software tool. An experimental study finally shows the potential of the proposed model in a bearing load monitoring approach.

An interactive program for pharmacokinetic modeling.

PubMed

Lu, D R; Mao, F

1993-05-01

A computer program, PharmK, was developed for pharmacokinetic modeling of experimental data. The program was written in C computer language based on the high-level user-interface Macintosh operating system. The intention was to provide a user-friendly tool for users of Macintosh computers. An interactive algorithm based on the exponential stripping method is used for the initial parameter estimation. Nonlinear pharmacokinetic model fitting is based on the maximum likelihood estimation method and is performed by the Levenberg-Marquardt method based on chi 2 criterion. Several methods are available to aid the evaluation of the fitting results. Pharmacokinetic data sets have been examined with the PharmK program, and the results are comparable with those obtained with other programs that are currently available for IBM PC-compatible and other types of computers.

The visual system’s internal model of the world

PubMed Central

Lee, Tai Sing

2015-01-01

The Bayesian paradigm has provided a useful conceptual theory for understanding perceptual computation in the brain. While the detailed neural mechanisms of Bayesian inference are not fully understood, recent computational and neurophysiological works have illuminated the underlying computational principles and representational architecture. The fundamental insights are that the visual system is organized as a modular hierarchy to encode an internal model of the world, and that perception is realized by statistical inference based on such internal model. In this paper, I will discuss and analyze the varieties of representational schemes of these internal models and how they might be used to perform learning and inference. I will argue for a unified theoretical framework for relating the internal models to the observed neural phenomena and mechanisms in the visual cortex. PMID:26566294

Image-Based Computational Fluid Dynamics in Blood Vessel Models: Toward Developing a Prognostic Tool to Assess Cardiovascular Function Changes in Prolonged Space Flights

NASA Technical Reports Server (NTRS)

Chatzimavroudis, George P.; Spirka, Thomas A.; Setser, Randolph M.; Myers, Jerry G.

2004-01-01

One of NASA's objectives is to be able to perform a complete, pre-flight, evaluation of cardiovascular changes in astronauts scheduled for prolonged space missions. Computational fluid dynamics (CFD) has shown promise as a method for estimating cardiovascular function during reduced gravity conditions. For this purpose, MRI can provide geometrical information, to reconstruct vessel geometries, and measure all spatial velocity components, providing location specific boundary conditions. The objective of this study was to investigate the reliability of MRI-based model reconstruction and measured boundary conditions for CFD simulations. An aortic arch model and a carotid bifurcation model were scanned in a 1.5T Siemens MRI scanner. Axial MRI acquisitions provided images for geometry reconstruction (slice thickness 3 and 5 mm; pixel size 1x1 and 0.5x0.5 square millimeters). Velocity acquisitions provided measured inlet boundary conditions and localized three-directional steady-flow velocity data (0.7-3.0 L/min). The vessel walls were isolated using NIH provided software (ImageJ) and lofted to form the geometric surface. Constructed and idealized geometries were imported into a commercial CFD code for meshing and simulation. Contour and vector plots of the velocity showed identical features between the MRI velocity data, the MRI-based CFD data, and the idealized-geometry CFD data, with less than 10% differences in the local velocity values. CFD results on models reconstructed from different MRI resolution settings showed insignificant differences (less than 5%). This study illustrated, quantitatively, that reliable CFD simulations can be performed with MRI reconstructed models and gives evidence that a future, subject-specific, computational evaluation of the cardiovascular system alteration during space travel is feasible.

Model implementation for dynamic computation of system cost

NASA Astrophysics Data System (ADS)

Levri, J.; Vaccari, D.

The Advanced Life Support (ALS) Program metric is the ratio of the equivalent system mass (ESM) of a mission based on International Space Station (ISS) technology to the ESM of that same mission based on ALS technology. ESM is a mission cost analog that converts the volume, power, cooling and crewtime requirements of a mission into mass units to compute an estimate of the life support system emplacement cost. Traditionally, ESM has been computed statically, using nominal values for system sizing. However, computation of ESM with static, nominal sizing estimates cannot capture the peak sizing requirements driven by system dynamics. In this paper, a dynamic model for a near-term Mars mission is described. The model is implemented in Matlab/Simulink' for the purpose of dynamically computing ESM. This paper provides a general overview of the crew, food, biomass, waste, water and air blocks in the Simulink' model. Dynamic simulations of the life support system track mass flow, volume and crewtime needs, as well as power and cooling requirement profiles. The mission's ESM is computed, based upon simulation responses. Ultimately, computed ESM values for various system architectures will feed into an optimization search (non-derivative) algorithm to predict parameter combinations that result in reduced objective function values.

Cyberpsychology: a human-interaction perspective based on cognitive modeling.

PubMed

Emond, Bruno; West, Robert L

2003-10-01

This paper argues for the relevance of cognitive modeling and cognitive architectures to cyberpsychology. From a human-computer interaction point of view, cognitive modeling can have benefits both for theory and model building, and for the design and evaluation of sociotechnical systems usability. Cognitive modeling research applied to human-computer interaction has two complimentary objectives: (1) to develop theories and computational models of human interactive behavior with information and collaborative technologies, and (2) to use the computational models as building blocks for the design, implementation, and evaluation of interactive technologies. From the perspective of building theories and models, cognitive modeling offers the possibility to anchor cyberpsychology theories and models into cognitive architectures. From the perspective of the design and evaluation of socio-technical systems, cognitive models can provide the basis for simulated users, which can play an important role in usability testing. As an example of application of cognitive modeling to technology design, the paper presents a simulation of interactive behavior with five different adaptive menu algorithms: random, fixed, stacked, frequency based, and activation based. Results of the simulation indicate that fixed menu positions seem to offer the best support for classification like tasks such as filing e-mails. This research is part of the Human-Computer Interaction, and the Broadband Visual Communication research programs at the National Research Council of Canada, in collaboration with the Carleton Cognitive Modeling Lab at Carleton University.

A one-model approach based on relaxed combinations of inputs for evaluating input congestion in DEA

NASA Astrophysics Data System (ADS)

Khodabakhshi, Mohammad

2009-08-01

This paper provides a one-model approach of input congestion based on input relaxation model developed in data envelopment analysis (e.g. [G.R. Jahanshahloo, M. Khodabakhshi, Suitable combination of inputs for improving outputs in DEA with determining input congestion -- Considering textile industry of China, Applied Mathematics and Computation (1) (2004) 263-273; G.R. Jahanshahloo, M. Khodabakhshi, Determining assurance interval for non-Archimedean ele improving outputs model in DEA, Applied Mathematics and Computation 151 (2) (2004) 501-506; M. Khodabakhshi, A super-efficiency model based on improved outputs in data envelopment analysis, Applied Mathematics and Computation 184 (2) (2007) 695-703; M. Khodabakhshi, M. Asgharian, An input relaxation measure of efficiency in stochastic data analysis, Applied Mathematical Modelling 33 (2009) 2010-2023]. This approach reduces solving three problems with the two-model approach introduced in the first of the above-mentioned reference to two problems which is certainly important from computational point of view. The model is applied to a set of data extracted from ISI database to estimate input congestion of 12 Canadian business schools.

Computation of nonlinear least squares estimator and maximum likelihood using principles in matrix calculus

NASA Astrophysics Data System (ADS)

Mahaboob, B.; Venkateswarlu, B.; Sankar, J. Ravi; Balasiddamuni, P.

2017-11-01

This paper uses matrix calculus techniques to obtain Nonlinear Least Squares Estimator (NLSE), Maximum Likelihood Estimator (MLE) and Linear Pseudo model for nonlinear regression model. David Pollard and Peter Radchenko [1] explained analytic techniques to compute the NLSE. However the present research paper introduces an innovative method to compute the NLSE using principles in multivariate calculus. This study is concerned with very new optimization techniques used to compute MLE and NLSE. Anh [2] derived NLSE and MLE of a heteroscedatistic regression model. Lemcoff [3] discussed a procedure to get linear pseudo model for nonlinear regression model. In this research article a new technique is developed to get the linear pseudo model for nonlinear regression model using multivariate calculus. The linear pseudo model of Edmond Malinvaud [4] has been explained in a very different way in this paper. David Pollard et.al used empirical process techniques to study the asymptotic of the LSE (Least-squares estimation) for the fitting of nonlinear regression function in 2006. In Jae Myung [13] provided a go conceptual for Maximum likelihood estimation in his work “Tutorial on maximum likelihood estimation

Recent advances in modeling and simulation of the exposure and response of tungsten to fusion energy conditions

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

Marian, Jaime; Becquart, Charlotte S.; Domain, Christophe

2017-06-09

Under the anticipated operating conditions for demonstration magnetic fusion reactors beyond ITER, structural materials will be exposed to unprecedented conditions of irradiation, heat flux, and temperature. While such extreme environments remain inaccessible experimentally, computational modeling and simulation can provide qualitative and quantitative insights into materials response and complement the available experimental measurements with carefully validated predictions. For plasma facing components such as the first wall and the divertor, tungsten (W) has been selected as the best candidate material due to its superior high-temperature and irradiation properties. In this paper we provide a review of recent efforts in computational modeling ofmore » W both as a plasma-facing material exposed to He deposition as well as a bulk structural material subjected to fast neutron irradiation. We use a multiscale modeling approach –commonly used as the materials modeling paradigm– to define the outline of the paper and highlight recent advances using several classes of techniques and their interconnection. We highlight several of the most salient findings obtained via computational modeling and point out a number of remaining challenges and future research directions« less

Computational neuroanatomy: ontology-based representation of neural components and connectivity.

PubMed

Rubin, Daniel L; Talos, Ion-Florin; Halle, Michael; Musen, Mark A; Kikinis, Ron

2009-02-05

A critical challenge in neuroscience is organizing, managing, and accessing the explosion in neuroscientific knowledge, particularly anatomic knowledge. We believe that explicit knowledge-based approaches to make neuroscientific knowledge computationally accessible will be helpful in tackling this challenge and will enable a variety of applications exploiting this knowledge, such as surgical planning. We developed ontology-based models of neuroanatomy to enable symbolic lookup, logical inference and mathematical modeling of neural systems. We built a prototype model of the motor system that integrates descriptive anatomic and qualitative functional neuroanatomical knowledge. In addition to modeling normal neuroanatomy, our approach provides an explicit representation of abnormal neural connectivity in disease states, such as common movement disorders. The ontology-based representation encodes both structural and functional aspects of neuroanatomy. The ontology-based models can be evaluated computationally, enabling development of automated computer reasoning applications. Neuroanatomical knowledge can be represented in machine-accessible format using ontologies. Computational neuroanatomical approaches such as described in this work could become a key tool in translational informatics, leading to decision support applications that inform and guide surgical planning and personalized care for neurological disease in the future.

Influence of urban pattern on inundation flow in floodplains of lowland rivers.

PubMed

Bruwier, M; Mustafa, A; Aliaga, D G; Archambeau, P; Erpicum, S; Nishida, G; Zhang, X; Pirotton, M; Teller, J; Dewals, B

2018-05-01

The objective of this paper is to investigate the respective influence of various urban pattern characteristics on inundation flow. A set of 2000 synthetic urban patterns were generated using an urban procedural model providing locations and shapes of streets and buildings over a square domain of 1×1km 2 . Steady two-dimensional hydraulic computations were performed over the 2000 urban patterns with identical hydraulic boundary conditions. To run such a large amount of simulations, the computational efficiency of the hydraulic model was improved by using an anisotropic porosity model. This model computes on relatively coarse computational cells, but preserves information from the detailed topographic data through porosity parameters. Relationships between urban characteristics and the computed inundation water depths have been based on multiple linear regressions. Finally, a simple mechanistic model based on two district-scale porosity parameters, combining several urban characteristics, is shown to capture satisfactorily the influence of urban characteristics on inundation water depths. The findings of this study give guidelines for more flood-resilient urban planning. Copyright © 2017 Elsevier B.V. All rights reserved.

Development and comparison of computational models for estimation of absorbed organ radiation dose in rainbow trout (Oncorhynchus mykiss) from uptake of iodine-131.

PubMed

Martinez, N E; Johnson, T E; Capello, K; Pinder, J E

2014-12-01

This study develops and compares different, increasingly detailed anatomical phantoms for rainbow trout (Oncorhynchus mykiss) for the purpose of estimating organ absorbed radiation dose and dose rates from (131)I uptake in multiple organs. The models considered are: a simplistic geometry considering a single organ, a more specific geometry employing additional organs with anatomically relevant size and location, and voxel reconstruction of internal anatomy obtained from CT imaging (referred to as CSUTROUT). Dose Conversion Factors (DCFs) for whole body as well as selected organs of O. mykiss were computed using Monte Carlo modeling, and combined with estimated activity concentrations, to approximate dose rates and ultimately determine cumulative radiation dose (μGy) to selected organs after several half-lives of (131)I. The different computational models provided similar results, especially for source organs (less than 30% difference between estimated doses), and whole body DCFs for each model (∼3 × 10(-3) μGy d(-1) per Bq kg(-1)) were comparable to DCFs listed in ICRP 108 for (131)I. The main benefit provided by the computational models developed here is the ability to accurately determine organ dose. A conservative mass-ratio approach may provide reasonable results for sufficiently large organs, but is only applicable to individual source organs. Although CSUTROUT is the more anatomically realistic phantom, it required much more resource dedication to develop and is less flexible than the stylized phantom for similar results. There may be instances where a detailed phantom such as CSUTROUT is appropriate, but generally the stylized phantom appears to be the best choice for an ideal balance between accuracy and resource requirements. Copyright © 2014 Elsevier Ltd. All rights reserved.

U.S. Geological Survey Groundwater Modeling Software: Making Sense of a Complex Natural Resource

USGS Publications Warehouse

Provost, Alden M.; Reilly, Thomas E.; Harbaugh, Arlen W.; Pollock, David W.

2009-01-01

Computer models of groundwater systems simulate the flow of groundwater, including water levels, and the transport of chemical constituents and thermal energy. Groundwater models afford hydrologists a framework on which to organize their knowledge and understanding of groundwater systems, and they provide insights water-resources managers need to plan effectively for future water demands. Building on decades of experience, the U.S. Geological Survey (USGS) continues to lead in the development and application of computer software that allows groundwater models to address scientific and management questions of increasing complexity.

Using Computational Cognitive Modeling to Diagnose Possible Sources of Aviation Error

NASA Technical Reports Server (NTRS)

Byrne, M. D.; Kirlik, Alex

2003-01-01

We present a computational model of a closed-loop, pilot-aircraft-visual scene-taxiway system created to shed light on possible sources of taxi error. Creating the cognitive aspects of the model using ACT-R required us to conduct studies with subject matter experts to identify experiential adaptations pilots bring to taxiing. Five decision strategies were found, ranging from cognitively-intensive but precise, to fast, frugal but robust. We provide evidence for the model by comparing its behavior to a NASA Ames Research Center simulation of Chicago O'Hare surface operations. Decision horizons were highly variable; the model selected the most accurate strategy given time available. We found a signature in the simulation data of the use of globally robust heuristics to cope with short decision horizons as revealed by errors occurring most frequently at atypical taxiway geometries or clearance routes. These data provided empirical support for the model.

Improving finite element results in modeling heart valve mechanics.

PubMed

Earl, Emily; Mohammadi, Hadi

2018-06-01

Finite element analysis is a well-established computational tool which can be used for the analysis of soft tissue mechanics. Due to the structural complexity of the leaflet tissue of the heart valve, the currently available finite element models do not adequately represent the leaflet tissue. A method of addressing this issue is to implement computationally expensive finite element models, characterized by precise constitutive models including high-order and high-density mesh techniques. In this study, we introduce a novel numerical technique that enhances the results obtained from coarse mesh finite element models to provide accuracy comparable to that of fine mesh finite element models while maintaining a relatively low computational cost. Introduced in this study is a method by which the computational expense required to solve linear and nonlinear constitutive models, commonly used in heart valve mechanics simulations, is reduced while continuing to account for large and infinitesimal deformations. This continuum model is developed based on the least square algorithm procedure coupled with the finite difference method adhering to the assumption that the components of the strain tensor are available at all nodes of the finite element mesh model. The suggested numerical technique is easy to implement, practically efficient, and requires less computational time compared to currently available commercial finite element packages such as ANSYS and/or ABAQUS.

An Approach to Experimental Design for the Computer Analysis of Complex Phenomenon

NASA Technical Reports Server (NTRS)

Rutherford, Brian

2000-01-01

The ability to make credible system assessments, predictions and design decisions related to engineered systems and other complex phenomenon is key to a successful program for many large-scale investigations in government and industry. Recently, many of these large-scale analyses have turned to computational simulation to provide much of the required information. Addressing specific goals in the computer analysis of these complex phenomenon is often accomplished through the use of performance measures that are based on system response models. The response models are constructed using computer-generated responses together with physical test results where possible. They are often based on probabilistically defined inputs and generally require estimation of a set of response modeling parameters. As a consequence, the performance measures are themselves distributed quantities reflecting these variabilities and uncertainties. Uncertainty in the values of the performance measures leads to uncertainties in predicted performance and can cloud the decisions required of the analysis. A specific goal of this research has been to develop methodology that will reduce this uncertainty in an analysis environment where limited resources and system complexity together restrict the number of simulations that can be performed. An approach has been developed that is based on evaluation of the potential information provided for each "intelligently selected" candidate set of computer runs. Each candidate is evaluated by partitioning the performance measure uncertainty into two components - one component that could be explained through the additional computational simulation runs and a second that would remain uncertain. The portion explained is estimated using a probabilistic evaluation of likely results for the additional computational analyses based on what is currently known about the system. The set of runs indicating the largest potential reduction in uncertainty is then selected and the computational simulations are performed. Examples are provided to demonstrate this approach on small scale problems. These examples give encouraging results. Directions for further research are indicated.

Rotorcraft Noise Model

NASA Technical Reports Server (NTRS)

Lucas, Michael J.; Marcolini, Michael A.

1997-01-01

The Rotorcraft Noise Model (RNM) is an aircraft noise impact modeling computer program being developed for NASA-Langley Research Center which calculates sound levels at receiver positions either on a uniform grid or at specific defined locations. The basic computational model calculates a variety of metria. Acoustic properties of the noise source are defined by two sets of sound pressure hemispheres, each hemisphere being centered on a noise source of the aircraft. One set of sound hemispheres provides the broadband data in the form of one-third octave band sound levels. The other set of sound hemispheres provides narrowband data in the form of pure-tone sound pressure levels and phase. Noise contours on the ground are output graphically or in tabular format, and are suitable for inclusion in Environmental Impact Statements or Environmental Assessments.

Ndarts

NASA Technical Reports Server (NTRS)

Jain, Abhinandan

2011-01-01

Ndarts software provides algorithms for computing quantities associated with the dynamics of articulated, rigid-link, multibody systems. It is designed as a general-purpose dynamics library that can be used for the modeling of robotic platforms, space vehicles, molecular dynamics, and other such applications. The architecture and algorithms in Ndarts are based on the Spatial Operator Algebra (SOA) theory for computational multibody and robot dynamics developed at JPL. It uses minimal, internal coordinate models. The algorithms are low-order, recursive scatter/ gather algorithms. In comparison with the earlier Darts++ software, this version has a more general and cleaner design needed to support a larger class of computational dynamics needs. It includes a frames infrastructure, allows algorithms to operate on subgraphs of the system, and implements lazy and deferred computation for better efficiency. Dynamics modeling modules such as Ndarts are core building blocks of control and simulation software for space, robotic, mechanism, bio-molecular, and material systems modeling.

On the design of computer-based models for integrated environmental science.

PubMed

McIntosh, Brian S; Jeffrey, Paul; Lemon, Mark; Winder, Nick

2005-06-01

The current research agenda in environmental science is dominated by calls to integrate science and policy to better understand and manage links between social (human) and natural (nonhuman) processes. Freshwater resource management is one area where such calls can be heard. Designing computer-based models for integrated environmental science poses special challenges to the research community. At present it is not clear whether such tools, or their outputs, receive much practical policy or planning application. It is argued that this is a result of (1) a lack of appreciation within the research modeling community of the characteristics of different decision-making processes including policy, planning, and (2) participation, (3) a lack of appreciation of the characteristics of different decision-making contexts, (4) the technical difficulties in implementing the necessary support tool functionality, and (5) the socio-technical demands of designing tools to be of practical use. This article presents a critical synthesis of ideas from each of these areas and interprets them in terms of design requirements for computer-based models being developed to provide scientific information support for policy and planning. Illustrative examples are given from the field of freshwater resources management. Although computer-based diagramming and modeling tools can facilitate processes of dialogue, they lack adequate simulation capabilities. Component-based models and modeling frameworks provide such functionality and may be suited to supporting problematic or messy decision contexts. However, significant technical (implementation) and socio-technical (use) challenges need to be addressed before such ambition can be realized.

Dimension reduction method for SPH equations

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

Tartakovsky, Alexandre M.; Scheibe, Timothy D.

2011-08-26

Smoothed Particle Hydrodynamics model of a complex multiscale processe often results in a system of ODEs with an enormous number of unknowns. Furthermore, a time integration of the SPH equations usually requires time steps that are smaller than the observation time by many orders of magnitude. A direct solution of these ODEs can be extremely expensive. Here we propose a novel dimension reduction method that gives an approximate solution of the SPH ODEs and provides an accurate prediction of the average behavior of the modeled system. The method consists of two main elements. First, effective equationss for evolution of averagemore » variables (e.g. average velocity, concentration and mass of a mineral precipitate) are obtained by averaging the SPH ODEs over the entire computational domain. These effective ODEs contain non-local terms in the form of volume integrals of functions of the SPH variables. Second, a computational closure is used to close the system of the effective equations. The computational closure is achieved via short bursts of the SPH model. The dimension reduction model is used to simulate flow and transport with mixing controlled reactions and mineral precipitation. An SPH model is used model transport at the porescale. Good agreement between direct solutions of the SPH equations and solutions obtained with the dimension reduction method for different boundary conditions confirms the accuracy and computational efficiency of the dimension reduction model. The method significantly accelerates SPH simulations, while providing accurate approximation of the solution and accurate prediction of the average behavior of the system.« less

A study of application of remote sensing to river forecasting. Volume 1: Executive summary

NASA Technical Reports Server (NTRS)

1975-01-01

A project is described whose goal was to define, implement and evaluate a pilot demonstration test to show the practicability of applying remotely sensed data to operational river forecasting in gaged or previously ungaged watersheds. A secondary objective was to provide NASA with documentation describing the computer programs that comprise the streamflow forecasting simulation model used. A computer-based simulation model was adapted to a streamflow forecasting application and implemented in an IBM System/360 Model 44 computer, operating in a dedicated mode, with operator interactive control through a Model 2250 keyboard/graphic CRT terminal. The test site whose hydrologic behavior was simulated is a small basin (365 square kilometers) designated Town Creek near Geraldine, Alabama.

Supersonic reacting internal flowfields

NASA Astrophysics Data System (ADS)

Drummond, J. P.

The national program to develop a trans-atmospheric vehicle has kindled a renewed interest in the modeling of supersonic reacting flows. A supersonic combustion ramjet, or scramjet, has been proposed to provide the propulsion system for this vehicle. The development of computational techniques for modeling supersonic reacting flowfields, and the application of these techniques to an increasingly difficult set of combustion problems are studied. Since the scramjet problem has been largely responsible for motivating this computational work, a brief history is given of hypersonic vehicles and their propulsion systems. A discussion is also given of some early modeling efforts applied to high speed reacting flows. Current activities to develop accurate and efficient algorithms and improved physical models for modeling supersonic combustion is then discussed. Some new problems where computer codes based on these algorithms and models are being applied are described.

Supersonic reacting internal flow fields

NASA Technical Reports Server (NTRS)

Drummond, J. Philip

1989-01-01

The national program to develop a trans-atmospheric vehicle has kindled a renewed interest in the modeling of supersonic reacting flows. A supersonic combustion ramjet, or scramjet, has been proposed to provide the propulsion system for this vehicle. The development of computational techniques for modeling supersonic reacting flow fields, and the application of these techniques to an increasingly difficult set of combustion problems are studied. Since the scramjet problem has been largely responsible for motivating this computational work, a brief history is given of hypersonic vehicles and their propulsion systems. A discussion is also given of some early modeling efforts applied to high speed reacting flows. Current activities to develop accurate and efficient algorithms and improved physical models for modeling supersonic combustion is then discussed. Some new problems where computer codes based on these algorithms and models are being applied are described.

Integrative multicellular biological modeling: a case study of 3D epidermal development using GPU algorithms

PubMed Central

2010-01-01

Background Simulation of sophisticated biological models requires considerable computational power. These models typically integrate together numerous biological phenomena such as spatially-explicit heterogeneous cells, cell-cell interactions, cell-environment interactions and intracellular gene networks. The recent advent of programming for graphical processing units (GPU) opens up the possibility of developing more integrative, detailed and predictive biological models while at the same time decreasing the computational cost to simulate those models. Results We construct a 3D model of epidermal development and provide a set of GPU algorithms that executes significantly faster than sequential central processing unit (CPU) code. We provide a parallel implementation of the subcellular element method for individual cells residing in a lattice-free spatial environment. Each cell in our epidermal model includes an internal gene network, which integrates cellular interaction of Notch signaling together with environmental interaction of basement membrane adhesion, to specify cellular state and behaviors such as growth and division. We take a pedagogical approach to describing how modeling methods are efficiently implemented on the GPU including memory layout of data structures and functional decomposition. We discuss various programmatic issues and provide a set of design guidelines for GPU programming that are instructive to avoid common pitfalls as well as to extract performance from the GPU architecture. Conclusions We demonstrate that GPU algorithms represent a significant technological advance for the simulation of complex biological models. We further demonstrate with our epidermal model that the integration of multiple complex modeling methods for heterogeneous multicellular biological processes is both feasible and computationally tractable using this new technology. We hope that the provided algorithms and source code will be a starting point for modelers to develop their own GPU implementations, and encourage others to implement their modeling methods on the GPU and to make that code available to the wider community. PMID:20696053

libNeuroML and PyLEMS: using Python to combine procedural and declarative modeling approaches in computational neuroscience.

PubMed

Vella, Michael; Cannon, Robert C; Crook, Sharon; Davison, Andrew P; Ganapathy, Gautham; Robinson, Hugh P C; Silver, R Angus; Gleeson, Padraig

2014-01-01

NeuroML is an XML-based model description language, which provides a powerful common data format for defining and exchanging models of neurons and neuronal networks. In the latest version of NeuroML, the structure and behavior of ion channel, synapse, cell, and network model descriptions are based on underlying definitions provided in LEMS, a domain-independent language for expressing hierarchical mathematical models of physical entities. While declarative approaches for describing models have led to greater exchange of model elements among software tools in computational neuroscience, a frequent criticism of XML-based languages is that they are difficult to work with directly. Here we describe two Application Programming Interfaces (APIs) written in Python (http://www.python.org), which simplify the process of developing and modifying models expressed in NeuroML and LEMS. The libNeuroML API provides a Python object model with a direct mapping to all NeuroML concepts defined by the NeuroML Schema, which facilitates reading and writing the XML equivalents. In addition, it offers a memory-efficient, array-based internal representation, which is useful for handling large-scale connectomics data. The libNeuroML API also includes support for performing common operations that are required when working with NeuroML documents. Access to the LEMS data model is provided by the PyLEMS API, which provides a Python implementation of the LEMS language, including the ability to simulate most models expressed in LEMS. Together, libNeuroML and PyLEMS provide a comprehensive solution for interacting with NeuroML models in a Python environment.

libNeuroML and PyLEMS: using Python to combine procedural and declarative modeling approaches in computational neuroscience

PubMed Central

Vella, Michael; Cannon, Robert C.; Crook, Sharon; Davison, Andrew P.; Ganapathy, Gautham; Robinson, Hugh P. C.; Silver, R. Angus; Gleeson, Padraig

2014-01-01

NeuroML is an XML-based model description language, which provides a powerful common data format for defining and exchanging models of neurons and neuronal networks. In the latest version of NeuroML, the structure and behavior of ion channel, synapse, cell, and network model descriptions are based on underlying definitions provided in LEMS, a domain-independent language for expressing hierarchical mathematical models of physical entities. While declarative approaches for describing models have led to greater exchange of model elements among software tools in computational neuroscience, a frequent criticism of XML-based languages is that they are difficult to work with directly. Here we describe two Application Programming Interfaces (APIs) written in Python (http://www.python.org), which simplify the process of developing and modifying models expressed in NeuroML and LEMS. The libNeuroML API provides a Python object model with a direct mapping to all NeuroML concepts defined by the NeuroML Schema, which facilitates reading and writing the XML equivalents. In addition, it offers a memory-efficient, array-based internal representation, which is useful for handling large-scale connectomics data. The libNeuroML API also includes support for performing common operations that are required when working with NeuroML documents. Access to the LEMS data model is provided by the PyLEMS API, which provides a Python implementation of the LEMS language, including the ability to simulate most models expressed in LEMS. Together, libNeuroML and PyLEMS provide a comprehensive solution for interacting with NeuroML models in a Python environment. PMID:24795618

Comparison of numerical weather prediction based deterministic and probabilistic wind resource assessment methods

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

Zhang, Jie; Draxl, Caroline; Hopson, Thomas

Numerical weather prediction (NWP) models have been widely used for wind resource assessment. Model runs with higher spatial resolution are generally more accurate, yet extremely computational expensive. An alternative approach is to use data generated by a low resolution NWP model, in conjunction with statistical methods. In order to analyze the accuracy and computational efficiency of different types of NWP-based wind resource assessment methods, this paper performs a comparison of three deterministic and probabilistic NWP-based wind resource assessment methodologies: (i) a coarse resolution (0.5 degrees x 0.67 degrees) global reanalysis data set, the Modern-Era Retrospective Analysis for Research and Applicationsmore » (MERRA); (ii) an analog ensemble methodology based on the MERRA, which provides both deterministic and probabilistic predictions; and (iii) a fine resolution (2-km) NWP data set, the Wind Integration National Dataset (WIND) Toolkit, based on the Weather Research and Forecasting model. Results show that: (i) as expected, the analog ensemble and WIND Toolkit perform significantly better than MERRA confirming their ability to downscale coarse estimates; (ii) the analog ensemble provides the best estimate of the multi-year wind distribution at seven of the nine sites, while the WIND Toolkit is the best at one site; (iii) the WIND Toolkit is more accurate in estimating the distribution of hourly wind speed differences, which characterizes the wind variability, at five of the available sites, with the analog ensemble being best at the remaining four locations; and (iv) the analog ensemble computational cost is negligible, whereas the WIND Toolkit requires large computational resources. Future efforts could focus on the combination of the analog ensemble with intermediate resolution (e.g., 10-15 km) NWP estimates, to considerably reduce the computational burden, while providing accurate deterministic estimates and reliable probabilistic assessments.« less

Computational toxicology using the OpenTox application programming interface and Bioclipse

PubMed Central

2011-01-01

Background Toxicity is a complex phenomenon involving the potential adverse effect on a range of biological functions. Predicting toxicity involves using a combination of experimental data (endpoints) and computational methods to generate a set of predictive models. Such models rely strongly on being able to integrate information from many sources. The required integration of biological and chemical information sources requires, however, a common language to express our knowledge ontologically, and interoperating services to build reliable predictive toxicology applications. Findings This article describes progress in extending the integrative bio- and cheminformatics platform Bioclipse to interoperate with OpenTox, a semantic web framework which supports open data exchange and toxicology model building. The Bioclipse workbench environment enables functionality from OpenTox web services and easy access to OpenTox resources for evaluating toxicity properties of query molecules. Relevant cases and interfaces based on ten neurotoxins are described to demonstrate the capabilities provided to the user. The integration takes advantage of semantic web technologies, thereby providing an open and simplifying communication standard. Additionally, the use of ontologies ensures proper interoperation and reliable integration of toxicity information from both experimental and computational sources. Conclusions A novel computational toxicity assessment platform was generated from integration of two open science platforms related to toxicology: Bioclipse, that combines a rich scriptable and graphical workbench environment for integration of diverse sets of information sources, and OpenTox, a platform for interoperable toxicology data and computational services. The combination provides improved reliability and operability for handling large data sets by the use of the Open Standards from the OpenTox Application Programming Interface. This enables simultaneous access to a variety of distributed predictive toxicology databases, and algorithm and model resources, taking advantage of the Bioclipse workbench handling the technical layers. PMID:22075173

The Australian Computational Earth Systems Simulator

NASA Astrophysics Data System (ADS)

Mora, P.; Muhlhaus, H.; Lister, G.; Dyskin, A.; Place, D.; Appelbe, B.; Nimmervoll, N.; Abramson, D.

2001-12-01

Numerical simulation of the physics and dynamics of the entire earth system offers an outstanding opportunity for advancing earth system science and technology but represents a major challenge due to the range of scales and physical processes involved, as well as the magnitude of the software engineering effort required. However, new simulation and computer technologies are bringing this objective within reach. Under a special competitive national funding scheme to establish new Major National Research Facilities (MNRF), the Australian government together with a consortium of Universities and research institutions have funded construction of the Australian Computational Earth Systems Simulator (ACcESS). The Simulator or computational virtual earth will provide the research infrastructure to the Australian earth systems science community required for simulations of dynamical earth processes at scales ranging from microscopic to global. It will consist of thematic supercomputer infrastructure and an earth systems simulation software system. The Simulator models and software will be constructed over a five year period by a multi-disciplinary team of computational scientists, mathematicians, earth scientists, civil engineers and software engineers. The construction team will integrate numerical simulation models (3D discrete elements/lattice solid model, particle-in-cell large deformation finite-element method, stress reconstruction models, multi-scale continuum models etc) with geophysical, geological and tectonic models, through advanced software engineering and visualization technologies. When fully constructed, the Simulator aims to provide the software and hardware infrastructure needed to model solid earth phenomena including global scale dynamics and mineralisation processes, crustal scale processes including plate tectonics, mountain building, interacting fault system dynamics, and micro-scale processes that control the geological, physical and dynamic behaviour of earth systems. ACcESS represents a part of Australia's contribution to the APEC Cooperation for Earthquake Simulation (ACES) international initiative. Together with other national earth systems science initiatives including the Japanese Earth Simulator and US General Earthquake Model projects, ACcESS aims to provide a driver for scientific advancement and technological breakthroughs including: quantum leaps in understanding of earth evolution at global, crustal, regional and microscopic scales; new knowledge of the physics of crustal fault systems required to underpin the grand challenge of earthquake prediction; new understanding and predictive capabilities of geological processes such as tectonics and mineralisation.

2012 Community Earth System Model (CESM) Tutorial - Proposal to DOE

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

Holland, Marika; Bailey, David A

2013-03-18

The Community Earth System Model (CESM) is a fully-coupled, global climate model that provides state-of-the-art computer simulations of the Earth's past, present, and future climate states. This document provides the agenda and list of participants for the conference. Web materials for all lectures and practical sessions available from: http://www.cesm.ucar.edu/events/tutorials/073012/ .

Computer code for off-design performance analysis of radial-inflow turbines with rotor blade sweep

NASA Technical Reports Server (NTRS)

Meitner, P. L.; Glassman, A. J.

1983-01-01

The analysis procedure of an existing computer program was extended to include rotor blade sweep, to model the flow more accurately at the rotor exit, and to provide more detail to the loss model. The modeling changes are described and all analysis equations and procedures are presented. Program input and output are described and are illustrated by an example problem. Results obtained from this program and from a previous program are compared with experimental data.

Polarization Considerations for the Laser Interferometer Space Antenna

NASA Technical Reports Server (NTRS)

Waluschka, Eugene; Pedersen, Tracy R.; McNamara, Paul

2005-01-01

A polarization ray trace model of the Laser Interferometer Space Antenna s (LISA) optical path is being created. The model will be able to assess the effects of various polarizing elements and the optical coatings on the required, very long path length, picometer level dynamic interferometry. The computational steps are described. This should eliminate any ambiguities associated with polarization ray tracing of interferometers and provide a basis for determining the computer model s limitations and serve as a clearly defined starting point for future work.

User's guide for a computer program to analyze the LRC 16 ft transonic dynamics tunnel cable mount system

NASA Technical Reports Server (NTRS)

Barbero, P.; Chin, J.

1973-01-01

The theoretical derivation of the set of equations is discussed which is applicable to modeling the dynamic characteristics of aeroelastically-scaled models flown on the two-cable mount system in a 16 ft transonic dynamics tunnel. The computer program provided for the analysis is also described. The program calculates model trim conditions as well as 3 DOF longitudinal and lateral/directional dynamic conditions for various flying cable and snubber cable configurations. Sample input and output are included.

Computational Materials: Modeling and Simulation of Nanostructured Materials and Systems

NASA Technical Reports Server (NTRS)

Gates, Thomas S.; Hinkley, Jeffrey A.

2003-01-01

The paper provides details on the structure and implementation of the Computational Materials program at the NASA Langley Research Center. Examples are given that illustrate the suggested approaches to predicting the behavior and influencing the design of nanostructured materials such as high-performance polymers, composites, and nanotube-reinforced polymers. Primary simulation and measurement methods applicable to multi-scale modeling are outlined. Key challenges including verification and validation of models are highlighted and discussed within the context of NASA's broad mission objectives.

Probability, statistics, and computational science.

PubMed

Beerenwinkel, Niko; Siebourg, Juliane

2012-01-01

In this chapter, we review basic concepts from probability theory and computational statistics that are fundamental to evolutionary genomics. We provide a very basic introduction to statistical modeling and discuss general principles, including maximum likelihood and Bayesian inference. Markov chains, hidden Markov models, and Bayesian network models are introduced in more detail as they occur frequently and in many variations in genomics applications. In particular, we discuss efficient inference algorithms and methods for learning these models from partially observed data. Several simple examples are given throughout the text, some of which point to models that are discussed in more detail in subsequent chapters.

Computer Simulation of the Circulation Subsystem of a Library

ERIC Educational Resources Information Center

Shaw, W. M., Jr.

1975-01-01

When circulation data are used as input parameters for a computer simulation of a library's circulation subsystem, the results of the simulation provide information on book availability and delays. The model may be used to simulate alternative loan policies. (Author/LS)