Process for computing geometric perturbations for probabilistic analysis

DOEpatents

Fitch, Simeon H. K. [Charlottesville, VA; Riha, David S [San Antonio, TX; Thacker, Ben H [San Antonio, TX

2012-04-10

A method for computing geometric perturbations for probabilistic analysis. The probabilistic analysis is based on finite element modeling, in which uncertainties in the modeled system are represented by changes in the nominal geometry of the model, referred to as "perturbations". These changes are accomplished using displacement vectors, which are computed for each node of a region of interest and are based on mean-value coordinate calculations.

Reduced complexity structural modeling for automated airframe synthesis

NASA Technical Reports Server (NTRS)

Hajela, Prabhat

1987-01-01

A procedure is developed for the optimum sizing of wing structures based on representing the built-up finite element assembly of the structure by equivalent beam models. The reduced-order beam models are computationally less demanding in an optimum design environment which dictates repetitive analysis of several trial designs. The design procedure is implemented in a computer program requiring geometry and loading information to create the wing finite element model and its equivalent beam model, and providing a rapid estimate of the optimum weight obtained from a fully stressed design approach applied to the beam. The synthesis procedure is demonstrated for representative conventional-cantilever and joined wing configurations.

Lightweight Expression of Granular Objects (LEGO) Content Modeling Using the SNOMED CT Observables Model to Represent Nursing Assessment Data.

PubMed

Johnson, Christie

2016-01-01

This poster presentation presents a content modeling strategy using the SNOMED CT Observable Model to represent large amounts of detailed clinical data in a consistent and computable manner that can support multiple use cases. Lightweight Expression of Granular Objects (LEGOs) represent question/answer pairs on clinical data collection forms, where a question is modeled by a (usually) post-coordinated SNOMED CT expression. LEGOs transform electronic patient data into a normalized consumable, which means that the expressions can be treated as extensions of the SNOMED CT hierarchies for the purpose of performing subsumption queries and other analytics. Utilizing the LEGO approach for modeling clinical data obtained from a nursing admission assessment provides a foundation for data exchange across disparate information systems and software applications. Clinical data exchange of computable LEGO patient information enables the development of more refined data analytics, data storage and clinical decision support.

Evolvable social agents for bacterial systems modeling.

PubMed

Paton, Ray; Gregory, Richard; Vlachos, Costas; Saunders, Jon; Wu, Henry

2004-09-01

We present two approaches to the individual-based modeling (IbM) of bacterial ecologies and evolution using computational tools. The IbM approach is introduced, and its important complementary role to biosystems modeling is discussed. A fine-grained model of bacterial evolution is then presented that is based on networks of interactivity between computational objects representing genes and proteins. This is followed by a coarser grained agent-based model, which is designed to explore the evolvability of adaptive behavioral strategies in artificial bacteria represented by learning classifier systems. The structure and implementation of the two proposed individual-based bacterial models are discussed, and some results from simulation experiments are presented, illustrating their adaptive properties.

Particle Hydrodynamics with Material Strength for Multi-Layer Orbital Debris Shield Design

NASA Technical Reports Server (NTRS)

Fahrenthold, Eric P.

1999-01-01

Three dimensional simulation of oblique hypervelocity impact on orbital debris shielding places extreme demands on computer resources. Research to date has shown that particle models provide the most accurate and efficient means for computer simulation of shield design problems. In order to employ a particle based modeling approach to the wall plate impact portion of the shield design problem, it is essential that particle codes be augmented to represent strength effects. This report describes augmentation of a Lagrangian particle hydrodynamics code developed by the principal investigator, to include strength effects, allowing for the entire shield impact problem to be represented using a single computer code.

Correlation of predicted and measured thermal stresses on a truss-type aircraft structure

NASA Technical Reports Server (NTRS)

Jenkins, J. M.; Schuster, L. S.; Carter, A. L.

1978-01-01

A test structure representing a portion of a hypersonic vehicle was instrumented with strain gages and thermocouples. This test structure was then subjected to laboratory heating representative of supersonic and hypersonic flight conditions. A finite element computer model of this structure was developed using several types of elements with the NASA structural analysis (NASTRAN) computer program. Temperature inputs from the test were used to generate predicted model thermal stresses and these were correlated with the test measurements.

Part 2 of a Computational Study of a Drop-Laden Mixing Layer

NASA Technical Reports Server (NTRS)

Okongo, Nora; Bellan, Josette

2004-01-01

This second of three reports on a computational study of a mixing layer laden with evaporating liquid drops presents the evaluation of Large Eddy Simulation (LES) models. The LES models were evaluated on an existing database that had been generated using Direct Numerical Simulation (DNS). The DNS method and the database are described in the first report of this series, Part 1 of a Computational Study of a Drop-Laden Mixing Layer (NPO-30719), NASA Tech Briefs, Vol. 28, No.7 (July 2004), page 59. The LES equations, which are derived by applying a spatial filter to the DNS set, govern the evolution of the larger scales of the flow and can therefore be solved on a coarser grid. Consistent with the reduction in grid points, the DNS drops would be represented by fewer drops, called computational drops in the LES context. The LES equations contain terms that cannot be directly computed on the coarser grid and that must instead be modeled. Two types of models are necessary: (1) those for the filtered source terms representing the effects of drops on the filtered flow field and (2) those for the sub-grid scale (SGS) fluxes arising from filtering the convective terms in the DNS equations. All of the filtered-sourceterm models that were developed were found to overestimate the filtered source terms. For modeling the SGS fluxes, constant-coefficient Smagorinsky, gradient, and scale-similarity models were assessed and calibrated on the DNS database. The Smagorinsky model correlated poorly with the SGS fluxes, whereas the gradient and scale-similarity models were well correlated with the SGS quantities that they represented.

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.

Computing by physical interaction in neurons.

PubMed

Aur, Dorian; Jog, Mandar; Poznanski, Roman R

2011-12-01

The electrodynamics of action potentials represents the fundamental level where information is integrated and processed in neurons. The Hodgkin-Huxley model cannot explain the non-stereotyped spatial charge density dynamics that occur during action potential propagation. Revealed in experiments as spike directivity, the non-uniform charge density dynamics within neurons carry meaningful information and suggest that fragments of information regarding our memories are endogenously stored in structural patterns at a molecular level and are revealed only during spiking activity. The main conceptual idea is that under the influence of electric fields, efficient computation by interaction occurs between charge densities embedded within molecular structures and the transient developed flow of electrical charges. This process of computation underlying electrical interactions and molecular mechanisms at the subcellular level is dissimilar from spiking neuron models that are completely devoid of physical interactions. Computation by interaction describes a more powerful continuous model of computation than the one that consists of discrete steps as represented in Turing machines.

A Cognitive Model for Problem Solving in Computer Science

ERIC Educational Resources Information Center

Parham, Jennifer R.

2009-01-01

According to industry representatives, computer science education needs to emphasize the processes involved in solving computing problems rather than their solutions. Most of the current assessment tools used by universities and computer science departments analyze student answers to problems rather than investigating the processes involved in…

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)

Effect of Anatomically Realistic Full-Head Model on Activation of Cortical Neurons in Subdural Cortical Stimulation—A Computational Study

NASA Astrophysics Data System (ADS)

Seo, Hyeon; Kim, Donghyeon; Jun, Sung Chan

2016-06-01

Electrical brain stimulation (EBS) is an emerging therapy for the treatment of neurological disorders, and computational modeling studies of EBS have been used to determine the optimal parameters for highly cost-effective electrotherapy. Recent notable growth in computing capability has enabled researchers to consider an anatomically realistic head model that represents the full head and complex geometry of the brain rather than the previous simplified partial head model (extruded slab) that represents only the precentral gyrus. In this work, subdural cortical stimulation (SuCS) was found to offer a better understanding of the differential activation of cortical neurons in the anatomically realistic full-head model than in the simplified partial-head models. We observed that layer 3 pyramidal neurons had comparable stimulation thresholds in both head models, while layer 5 pyramidal neurons showed a notable discrepancy between the models; in particular, layer 5 pyramidal neurons demonstrated asymmetry in the thresholds and action potential initiation sites in the anatomically realistic full-head model. Overall, the anatomically realistic full-head model may offer a better understanding of layer 5 pyramidal neuronal responses. Accordingly, the effects of using the realistic full-head model in SuCS are compelling in computational modeling studies, even though this modeling requires substantially more effort.

The Computable Catchment: An executable document for model-data software sharing, reproducibility and interactive visualization

NASA Astrophysics Data System (ADS)

Gil, Y.; Duffy, C.

2015-12-01

This paper proposes the concept of a "Computable Catchment" which is used to develop a collaborative platform for watershed modeling and data analysis. The object of the research is a sharable, executable document similar to a pdf, but one that includes documentation of the underlying theoretical concepts, interactive computational/numerical resources, linkage to essential data repositories and the ability for interactive model-data visualization and analysis. The executable document for each catchment is stored in the cloud with automatic provisioning and a unique identifier allowing collaborative model and data enhancements for historical hydroclimatic reconstruction and/or future landuse or climate change scenarios to be easily reconstructed or extended. The Computable Catchment adopts metadata standards for naming all variables in the model and the data. The a-priori or initial data is derived from national data sources for soils, hydrogeology, climate, and land cover available from the www.hydroterre.psu.edu data service (Leonard and Duffy, 2015). The executable document is based on Wolfram CDF or Computable Document Format with an interactive open-source reader accessible by any modern computing platform. The CDF file and contents can be uploaded to a website or simply shared as a normal document maintaining all interactive features of the model and data. The Computable Catchment concept represents one application for Geoscience Papers of the Future representing an extensible document that combines theory, models, data and analysis that are digitally shared, documented and reused among research collaborators, students, educators and decision makers.

View generated database

NASA Technical Reports Server (NTRS)

Downward, James G.

1992-01-01

This document represents the final report for the View Generated Database (VGD) project, NAS7-1066. It documents the work done on the project up to the point at which all project work was terminated due to lack of project funds. The VGD was to provide the capability to accurately represent any real-world object or scene as a computer model. Such models include both an accurate spatial/geometric representation of surfaces of the object or scene, as well as any surface detail present on the object. Applications of such models are numerous, including acquisition and maintenance of work models for tele-autonomous systems, generation of accurate 3-D geometric/photometric models for various 3-D vision systems, and graphical models for realistic rendering of 3-D scenes via computer graphics.

A Modeling Framework for Optimal Computational Resource Allocation Estimation: Considering the Trade-offs between Physical Resolutions, Uncertainty and Computational Costs

NASA Astrophysics Data System (ADS)

Moslehi, M.; de Barros, F.; Rajagopal, R.

2014-12-01

Hydrogeological models that represent flow and transport in subsurface domains are usually large-scale with excessive computational complexity and uncertain characteristics. Uncertainty quantification for predicting flow and transport in heterogeneous formations often entails utilizing a numerical Monte Carlo framework, which repeatedly simulates the model according to a random field representing hydrogeological characteristics of the field. The physical resolution (e.g. grid resolution associated with the physical space) for the simulation is customarily chosen based on recommendations in the literature, independent of the number of Monte Carlo realizations. This practice may lead to either excessive computational burden or inaccurate solutions. We propose an optimization-based methodology that considers the trade-off between the following conflicting objectives: time associated with computational costs, statistical convergence of the model predictions and physical errors corresponding to numerical grid resolution. In this research, we optimally allocate computational resources by developing a modeling framework for the overall error based on a joint statistical and numerical analysis and optimizing the error model subject to a given computational constraint. The derived expression for the overall error explicitly takes into account the joint dependence between the discretization error of the physical space and the statistical error associated with Monte Carlo realizations. The accuracy of the proposed framework is verified in this study by applying it to several computationally extensive examples. Having this framework at hand aims hydrogeologists to achieve the optimum physical and statistical resolutions to minimize the error with a given computational budget. Moreover, the influence of the available computational resources and the geometric properties of the contaminant source zone on the optimum resolutions are investigated. We conclude that the computational cost associated with optimal allocation can be substantially reduced compared with prevalent recommendations in the literature.

Mentat: An object-oriented macro data flow system

NASA Technical Reports Server (NTRS)

Grimshaw, Andrew S.; Liu, Jane W. S.

1988-01-01

Mentat, an object-oriented macro data flow system designed to facilitate parallelism in distributed systems, is presented. The macro data flow model is a model of computation similar to the data flow model with two principal differences: the computational complexity of the actors is much greater than in traditional data flow systems, and there are persistent actors that maintain state information between executions. Mentat is a system that combines the object-oriented programming paradigm and the macro data flow model of computation. Mentat programs use a dynamic structure called a future list to represent the future of computations.

Application of Psychological Theories in Agent-Based Modeling: The Case of the Theory of Planned Behavior.

PubMed

Scalco, Andrea; Ceschi, Andrea; Sartori, Riccardo

2018-01-01

It is likely that computer simulations will assume a greater role in the next future to investigate and understand reality (Rand & Rust, 2011). Particularly, agent-based models (ABMs) represent a method of investigation of social phenomena that blend the knowledge of social sciences with the advantages of virtual simulations. Within this context, the development of algorithms able to recreate the reasoning engine of autonomous virtual agents represents one of the most fragile aspects and it is indeed crucial to establish such models on well-supported psychological theoretical frameworks. For this reason, the present work discusses the application case of the theory of planned behavior (TPB; Ajzen, 1991) in the context of agent-based modeling: It is argued that this framework might be helpful more than others to develop a valid representation of human behavior in computer simulations. Accordingly, the current contribution considers issues related with the application of the model proposed by the TPB inside computer simulations and suggests potential solutions with the hope to contribute to shorten the distance between the fields of psychology and computer science.

CAROLINA CENTER FOR COMPUTATIONAL TOXICOLOGY

EPA Science Inventory

The Center will advance the field of computational toxicology through the development of new methods and tools, as well as through collaborative efforts. In each Project, new computer-based models will be developed and published that represent the state-of-the-art. The tools p...

Acoustic backscatter models of fish: Gradual or punctuated evolution

NASA Astrophysics Data System (ADS)

Horne, John K.

2004-05-01

Sound-scattering characteristics of aquatic organisms are routinely investigated using theoretical and numerical models. Development of the inverse approach by van Holliday and colleagues in the 1970s catalyzed the development and validation of backscatter models for fish and zooplankton. As the understanding of biological scattering properties increased, so did the number and computational sophistication of backscatter models. The complexity of data used to represent modeled organisms has also evolved in parallel to model development. Simple geometric shapes representing body components or the whole organism have been replaced by anatomically accurate representations derived from imaging sensors such as computer-aided tomography (CAT) scans. In contrast, Medwin and Clay (1998) recommend that fish and zooplankton should be described by simple theories and models, without acoustically superfluous extensions. Since van Holliday's early work, how has data and computational complexity influenced accuracy and precision of model predictions? How has the understanding of aquatic organism scattering properties increased? Significant steps in the history of model development will be identified and changes in model results will be characterized and compared. [Work supported by ONR and the Alaska Fisheries Science Center.

A Program of Continuing Research on Representing, Manipulating, and Reasoning about Physical Objects

DTIC Science & Technology

1991-09-30

graphics with the goal of automatically converting complex graphics models into forms more appropriate for radiosity computation. 2.4 Least Constraint We...to computer graphics with the goal of automatically 7 converting complex graphics models into forms more appropriate for radiosity com- putation. 8 4

Aerospace System Unified Life Cycle Engineering Producibility Measurement Issues

DTIC Science & Technology

1989-05-01

Control .................................................................. 11-9 5 . C o st...in the development process; these computer -aided models offer clarity approaching that of a prototype model. Once a part geometry is represented...of part geometry , allowing manufacturability evaluation and possibly other computer -integrated manufacturing (CIM) tasks. (Other papers that discuss

Dynamic Simulation of Crime Perpetration and Reporting to Examine Community Intervention Strategies

ERIC Educational Resources Information Center

Yonas, Michael A.; Burke, Jessica G.; Brown, Shawn T.; Borrebach, Jeffrey D.; Garland, Richard; Burke, Donald S.; Grefenstette, John J.

2013-01-01

Objective: To develop a conceptual computational agent-based model (ABM) to explore community-wide versus spatially focused crime reporting interventions to reduce community crime perpetrated by youth. Method: Agents within the model represent individual residents and interact on a two-dimensional grid representing an abstract nonempirically…

A Comparative Analysis of a Generalized Lanchester Equation Model and a Stochastic Computer Simulation Model.

DTIC Science & Technology

1987-03-01

model is one in which words or numerical descriptions are used to represent an entity or process. An example of a symbolic model is a mathematical ...are the third type of model used in modeling combat attrition. Analytical models are symbolic models which use mathematical symbols and equations to...simplicity and the ease of tracing through the mathematical computations. In this section I will discuss some of the shortcoming which have been

Simulator for neural networks and action potentials.

PubMed

Baxter, Douglas A; Byrne, John H

2007-01-01

A key challenge for neuroinformatics is to devise methods for representing, accessing, and integrating vast amounts of diverse and complex data. A useful approach to represent and integrate complex data sets is to develop mathematical models [Arbib (The Handbook of Brain Theory and Neural Networks, pp. 741-745, 2003); Arbib and Grethe (Computing the Brain: A Guide to Neuroinformatics, 2001); Ascoli (Computational Neuroanatomy: Principles and Methods, 2002); Bower and Bolouri (Computational Modeling of Genetic and Biochemical Networks, 2001); Hines et al. (J. Comput. Neurosci. 17, 7-11, 2004); Shepherd et al. (Trends Neurosci. 21, 460-468, 1998); Sivakumaran et al. (Bioinformatics 19, 408-415, 2003); Smolen et al. (Neuron 26, 567-580, 2000); Vadigepalli et al. (OMICS 7, 235-252, 2003)]. Models of neural systems provide quantitative and modifiable frameworks for representing data and analyzing neural function. These models can be developed and solved using neurosimulators. One such neurosimulator is simulator for neural networks and action potentials (SNNAP) [Ziv (J. Neurophysiol. 71, 294-308, 1994)]. SNNAP is a versatile and user-friendly tool for developing and simulating models of neurons and neural networks. SNNAP simulates many features of neuronal function, including ionic currents and their modulation by intracellular ions and/or second messengers, and synaptic transmission and synaptic plasticity. SNNAP is written in Java and runs on most computers. Moreover, SNNAP provides a graphical user interface (GUI) and does not require programming skills. This chapter describes several capabilities of SNNAP and illustrates methods for simulating neurons and neural networks. SNNAP is available at http://snnap.uth.tmc.edu .

Gaussian process regression of chirplet decomposed ultrasonic B-scans of a simulated design case

NASA Astrophysics Data System (ADS)

Wertz, John; Homa, Laura; Welter, John; Sparkman, Daniel; Aldrin, John

2018-04-01

The US Air Force seeks to implement damage tolerant lifecycle management of composite structures. Nondestructive characterization of damage is a key input to this framework. One approach to characterization is model-based inversion of the ultrasonic response from damage features; however, the computational expense of modeling the ultrasonic waves within composites is a major hurdle to implementation. A surrogate forward model with sufficient accuracy and greater computational efficiency is therefore critical to enabling model-based inversion and damage characterization. In this work, a surrogate model is developed on the simulated ultrasonic response from delamination-like structures placed at different locations within a representative composite layup. The resulting B-scans are decomposed via the chirplet transform, and a Gaussian process model is trained on the chirplet parameters. The quality of the surrogate is tested by comparing the B-scan for a delamination configuration not represented within the training data set. The estimated B-scan has a maximum error of ˜15% for an estimated reduction in computational runtime of ˜95% for 200 function calls. This considerable reduction in computational expense makes full 3D characterization of impact damage tractable.

Computing Fiber/Matrix Interfacial Effects In SiC/RBSN

NASA Technical Reports Server (NTRS)

Goldberg, Robert K.; Hopkins, Dale A.

1996-01-01

Computational study conducted to demonstrate use of boundary-element method in analyzing effects of fiber/matrix interface on elastic and thermal behaviors of representative laminated composite materials. In study, boundary-element method implemented by Boundary Element Solution Technology - Composite Modeling System (BEST-CMS) computer program.

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.

Development of spectral analysis math models and software program and spectral analyzer, digital converter interface equipment design

NASA Technical Reports Server (NTRS)

Hayden, W. L.; Robinson, L. H.

1972-01-01

Spectral analyses of angle-modulated communication systems is studied by: (1) performing a literature survey of candidate power spectrum computational techniques, determining the computational requirements, and formulating a mathematical model satisfying these requirements; (2) implementing the model on UNIVAC 1230 digital computer as the Spectral Analysis Program (SAP); and (3) developing the hardware specifications for a data acquisition system which will acquire an input modulating signal for SAP. The SAP computational technique uses extended fast Fourier transform and represents a generalized approach for simple and complex modulating signals.

Workshop on Engineering Turbulence Modeling

NASA Technical Reports Server (NTRS)

Povinelli, Louis A. (Editor); Liou, W. W. (Editor); Shabbir, A. (Editor); Shih, T.-H. (Editor)

1992-01-01

Discussed here is the future direction of various levels of engineering turbulence modeling related to computational fluid dynamics (CFD) computations for propulsion. For each level of computation, there are a few turbulence models which represent the state-of-the-art for that level. However, it is important to know their capabilities as well as their deficiencies in order to help engineers select and implement the appropriate models in their real world engineering calculations. This will also help turbulence modelers perceive the future directions for improving turbulence models. The focus is on one-point closure models (i.e., from algebraic models to higher order moment closure schemes and partial differential equation methods) which can be applied to CFD computations. However, other schemes helpful in developing one-point closure models, are also discussed.

Situational Behavior Modeling

DTIC Science & Technology

2009-06-30

VIStology, Inc. June 30, 2009 Page 16 Figure 3. Situations and Perception Figure 3 shows four planes, each referring to a different level...the computer, as shown in the figure. The next layer is denoted as “ Perception .” The dots on this plane represent objects from the World that are...which then feeds the computer, which in turn generates the object representations. The label “ Perception ” represents the fact that this kind of

Digital Maps, Matrices and Computer Algebra

ERIC Educational Resources Information Center

Knight, D. G.

2005-01-01

The way in which computer algebra systems, such as Maple, have made the study of complex problems accessible to undergraduate mathematicians with modest computational skills is illustrated by some large matrix calculations, which arise from representing the Earth's surface by digital elevation models. Such problems are often considered to lie in…

Integrating Computational Science Tools into a Thermodynamics Course

ERIC Educational Resources Information Center

Vieira, Camilo; Magana, Alejandra J.; García, R. Edwin; Jana, Aniruddha; Krafcik, Matthew

2018-01-01

Computational tools and methods have permeated multiple science and engineering disciplines, because they enable scientists and engineers to process large amounts of data, represent abstract phenomena, and to model and simulate complex concepts. In order to prepare future engineers with the ability to use computational tools in the context of…

M&S Journal. Volume 8, Issue 2, Summer 2013

DTIC Science & Technology

2013-01-01

Modeling Notation ( BPMN ) [White and Miers, 2008], and the integration of the modeling notation with executable simulation engines [Anupindi 2005...activities and the supporting IT in BPMN and use that to compute MOE for a mission instance. Requirements for Modeling Missions To understand the...representation versus impact computation tradeoffs we selected BPMN , along with some proposed extensions to represent information dependencies, as the

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.

Bayesian Parameter Inference and Model Selection by Population Annealing in Systems Biology

PubMed Central

Murakami, Yohei

2014-01-01

Parameter inference and model selection are very important for mathematical modeling in systems biology. Bayesian statistics can be used to conduct both parameter inference and model selection. Especially, the framework named approximate Bayesian computation is often used for parameter inference and model selection in systems biology. However, Monte Carlo methods needs to be used to compute Bayesian posterior distributions. In addition, the posterior distributions of parameters are sometimes almost uniform or very similar to their prior distributions. In such cases, it is difficult to choose one specific value of parameter with high credibility as the representative value of the distribution. To overcome the problems, we introduced one of the population Monte Carlo algorithms, population annealing. Although population annealing is usually used in statistical mechanics, we showed that population annealing can be used to compute Bayesian posterior distributions in the approximate Bayesian computation framework. To deal with un-identifiability of the representative values of parameters, we proposed to run the simulations with the parameter ensemble sampled from the posterior distribution, named “posterior parameter ensemble”. We showed that population annealing is an efficient and convenient algorithm to generate posterior parameter ensemble. We also showed that the simulations with the posterior parameter ensemble can, not only reproduce the data used for parameter inference, but also capture and predict the data which was not used for parameter inference. Lastly, we introduced the marginal likelihood in the approximate Bayesian computation framework for Bayesian model selection. We showed that population annealing enables us to compute the marginal likelihood in the approximate Bayesian computation framework and conduct model selection depending on the Bayes factor. PMID:25089832

Analyses of ACPL thermal/fluid conditioning system

NASA Technical Reports Server (NTRS)

Stephen, L. A.; Usher, L. H.

1976-01-01

Results of engineering analyses are reported. Initial computations were made using a modified control transfer function where the systems performance was characterized parametrically using an analytical model. The analytical model was revised to represent the latest expansion chamber fluid manifold design, and systems performance predictions were made. Parameters which were independently varied in these computations are listed. Systems predictions which were used to characterize performance are primarily transient computer plots comparing the deviation between average chamber temperature and the chamber temperature requirement. Additional computer plots were prepared. Results of parametric computations with the latest fluid manifold design are included.

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.

Software Surface Modeling and Grid Generation Steering Committee

NASA Technical Reports Server (NTRS)

Smith, Robert E. (Editor)

1992-01-01

It is a NASA objective to promote improvements in the capability and efficiency of computational fluid dynamics. Grid generation, the creation of a discrete representation of the solution domain, is an essential part of computational fluid dynamics. However, grid generation about complex boundaries requires sophisticated surface-model descriptions of the boundaries. The surface modeling and the associated computation of surface grids consume an extremely large percentage of the total time required for volume grid generation. Efficient and user friendly software systems for surface modeling and grid generation are critical for computational fluid dynamics to reach its potential. The papers presented here represent the state-of-the-art in software systems for surface modeling and grid generation. Several papers describe improved techniques for grid generation.

Optimum structural sizing of conventional cantilever and joined wing configurations using equivalent beam models

NASA Technical Reports Server (NTRS)

Hajela, P.; Chen, J. L.

1986-01-01

The present paper describes an approach for the optimum sizing of single and joined wing structures that is based on representing the built-up finite element model of the structure by an equivalent beam model. The low order beam model is computationally more efficient in an environment that requires repetitive analysis of several trial designs. The design procedure is implemented in a computer program that requires geometry and loading data typically available from an aerodynamic synthesis program, to create the finite element model of the lifting surface and an equivalent beam model. A fully stressed design procedure is used to obtain rapid estimates of the optimum structural weight for the beam model for a given geometry, and a qualitative description of the material distribution over the wing structure. The synthesis procedure is demonstrated for representative single wing and joined wing structures.

The control of a manipulator by a computer model of the cerebellum.

NASA Technical Reports Server (NTRS)

Albus, J. S.

1973-01-01

Extension of previous work by Albus (1971, 1972) on the theory of cerebellar function to an application of a computer model of the cerebellum to manipulator control. Following a discussion of the cerebellar function and of a perceptron analogy of the cerebellum, particularly in regard to learning, an electromechanical model of the cerebellum is considered in the form of an IBM 1800 computer connected to a Rancho Los Amigos arm with seven degrees of freedom. It is shown that the computer memory makes it possible to train the arm on some representative sample of the universe of possible states and to achieve satisfactory performance.

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.

Kalman approach to accuracy management for interoperable heterogeneous model abstraction within an HLA-compliant simulation

NASA Astrophysics Data System (ADS)

Leskiw, Donald M.; Zhau, Junmei

2000-06-01

This paper reports on results from an ongoing project to develop methodologies for representing and managing multiple, concurrent levels of detail and enabling high performance computing using parallel arrays within distributed object-based simulation frameworks. At this time we present the methodology for representing and managing multiple, concurrent levels of detail and modeling accuracy by using a representation based on the Kalman approach for estimation. The Kalman System Model equations are used to represent model accuracy, Kalman Measurement Model equations provide transformations between heterogeneous levels of detail, and interoperability among disparate abstractions is provided using a form of the Kalman Update equations.

A non-stochastic iterative computational method to model light propagation in turbid media

NASA Astrophysics Data System (ADS)

McIntyre, Thomas J.; Zemp, Roger J.

2015-03-01

Monte Carlo models are widely used to model light transport in turbid media, however their results implicitly contain stochastic variations. These fluctuations are not ideal, especially for inverse problems where Jacobian matrix errors can lead to large uncertainties upon matrix inversion. Yet Monte Carlo approaches are more computationally favorable than solving the full Radiative Transport Equation. Here, a non-stochastic computational method of estimating fluence distributions in turbid media is proposed, which is called the Non-Stochastic Propagation by Iterative Radiance Evaluation method (NSPIRE). Rather than using stochastic means to determine a random walk for each photon packet, the propagation of light from any element to all other elements in a grid is modelled simultaneously. For locally homogeneous anisotropic turbid media, the matrices used to represent scattering and projection are shown to be block Toeplitz, which leads to computational simplifications via convolution operators. To evaluate the accuracy of the algorithm, 2D simulations were done and compared against Monte Carlo models for the cases of an isotropic point source and a pencil beam incident on a semi-infinite turbid medium. The model was shown to have a mean percent error less than 2%. The algorithm represents a new paradigm in radiative transport modelling and may offer a non-stochastic alternative to modeling light transport in anisotropic scattering media for applications where the diffusion approximation is insufficient.

Augmented Computer Mouse Would Measure Applied Force

NASA Technical Reports Server (NTRS)

Li, Larry C. H.

1993-01-01

Proposed computer mouse measures force of contact applied by user. Adds another dimension to two-dimensional-position-measuring capability of conventional computer mouse; force measurement designated to represent any desired continuously variable function of time and position, such as control force, acceleration, velocity, or position along axis perpendicular to computer video display. Proposed mouse enhances sense of realism and intuition in interaction between operator and computer. Useful in such applications as three-dimensional computer graphics, computer games, and mathematical modeling of dynamics.

Airport Facility Queuing Model Validation

DOT National Transportation Integrated Search

1977-05-01

Criteria are presented for selection of analytic models to represent waiting times due to queuing processes. An existing computer model by M.F. Neuts which assumes general nonparametric distributions of arrivals per unit time and service times for a ...

The Use of Scale-Dependent Precision to Increase Forecast Accuracy in Earth System Modelling

NASA Astrophysics Data System (ADS)

Thornes, Tobias; Duben, Peter; Palmer, Tim

2016-04-01

At the current pace of development, it may be decades before the 'exa-scale' computers needed to resolve individual convective clouds in weather and climate models become available to forecasters, and such machines will incur very high power demands. But the resolution could be improved today by switching to more efficient, 'inexact' hardware with which variables can be represented in 'reduced precision'. Currently, all numbers in our models are represented as double-precision floating points - each requiring 64 bits of memory - to minimise rounding errors, regardless of spatial scale. Yet observational and modelling constraints mean that values of atmospheric variables are inevitably known less precisely on smaller scales, suggesting that this may be a waste of computer resources. More accurate forecasts might therefore be obtained by taking a scale-selective approach whereby the precision of variables is gradually decreased at smaller spatial scales to optimise the overall efficiency of the model. To study the effect of reducing precision to different levels on multiple spatial scales, we here introduce a new model atmosphere developed by extending the Lorenz '96 idealised system to encompass three tiers of variables - which represent large-, medium- and small-scale features - for the first time. In this chaotic but computationally tractable system, the 'true' state can be defined by explicitly resolving all three tiers. The abilities of low resolution (single-tier) double-precision models and similar-cost high resolution (two-tier) models in mixed-precision to produce accurate forecasts of this 'truth' are compared. The high resolution models outperform the low resolution ones even when small-scale variables are resolved in half-precision (16 bits). This suggests that using scale-dependent levels of precision in more complicated real-world Earth System models could allow forecasts to be made at higher resolution and with improved accuracy. If adopted, this new paradigm would represent a revolution in numerical modelling that could be of great benefit to the world.

Structure of the Brazilian Sign Language (Libras) for Computational Tools: Citizenship and Social Inclusion

NASA Astrophysics Data System (ADS)

Guimaraes, Cayley; Antunes, Diego R.; de F. Guilhermino Trindade, Daniela; da Silva, Rafaella A. Lopes; Garcia, Laura Sanchez

This work presents a computational model (XML) of the Brazilian Sign Language (Libras), based on its phonology. The model was used to create a sample of representative signs to aid the recording of a base of videos whose aim is to support the development of tools to support genuine social inclusion of the deaf.

Extended Full Computation-Tree Logic with Sequence Modal Operator: Representing Hierarchical Tree Structures

NASA Astrophysics Data System (ADS)

Kamide, Norihiro; Kaneiwa, Ken

An extended full computation-tree logic, CTLS*, is introduced as a Kripke semantics with a sequence modal operator. This logic can appropriately represent hierarchical tree structures where sequence modal operators in CTLS* are applied to tree structures. An embedding theorem of CTLS* into CTL* is proved. The validity, satisfiability and model-checking problems of CTLS* are shown to be decidable. An illustrative example of biological taxonomy is presented using CTLS* formulas.

Computation of the intensities of parametric holographic scattering patterns in photorefractive crystals.

PubMed

Schwalenberg, Simon

2005-06-01

The present work represents a first attempt to perform computations of output intensity distributions for different parametric holographic scattering patterns. Based on the model for parametric four-wave mixing processes in photorefractive crystals and taking into account realistic material properties, we present computed images of selected scattering patterns. We compare these calculated light distributions to the corresponding experimental observations. Our analysis is especially devoted to dark scattering patterns as they make high demands on the underlying model.

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

Formal modeling of a system of chemical reactions under uncertainty.

PubMed

Ghosh, Krishnendu; Schlipf, John

2014-10-01

We describe a novel formalism representing a system of chemical reactions, with imprecise rates of reactions and concentrations of chemicals, and describe a model reduction method, pruning, based on the chemical properties. We present two algorithms, midpoint approximation and interval approximation, for construction of efficient model abstractions with uncertainty in data. We evaluate computational feasibility by posing queries in computation tree logic (CTL) on a prototype of extracellular-signal-regulated kinase (ERK) pathway.

Creating a Pipeline for African American Computing Science Faculty: An Innovative Faculty/Research Mentoring Program Model

ERIC Educational Resources Information Center

Charleston, LaVar J.; Gilbert, Juan E.; Escobar, Barbara; Jackson, Jerlando F. L.

2014-01-01

African Americans represent 1.3% of all computing sciences faculty in PhD-granting departments, underscoring the severe underrepresentation of Black/African American tenure-track faculty in computing (CRA, 2012). The Future Faculty/Research Scientist Mentoring (FFRM) program, funded by the National Science Foundation, was found to be an effective…

Computers for real time flight simulation: A market survey

NASA Technical Reports Server (NTRS)

Bekey, G. A.; Karplus, W. J.

1977-01-01

An extensive computer market survey was made to determine those available systems suitable for current and future flight simulation studies at Ames Research Center. The primary requirement is for the computation of relatively high frequency content (5 Hz) math models representing powered lift flight vehicles. The Rotor Systems Research Aircraft (RSRA) was used as a benchmark vehicle for computation comparison studies. The general nature of helicopter simulations and a description of the benchmark model are presented, and some of the sources of simulation difficulties are examined. A description of various applicable computer architectures is presented, along with detailed discussions of leading candidate systems and comparisons between them.

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.

Graph modeling systems and methods

DOEpatents

Neergaard, Mike

2015-10-13

An apparatus and a method for vulnerability and reliability modeling are provided. The method generally includes constructing a graph model of a physical network using a computer, the graph model including a plurality of terminating vertices to represent nodes in the physical network, a plurality of edges to represent transmission paths in the physical network, and a non-terminating vertex to represent a non-nodal vulnerability along a transmission path in the physical network. The method additionally includes evaluating the vulnerability and reliability of the physical network using the constructed graph model, wherein the vulnerability and reliability evaluation includes a determination of whether each terminating and non-terminating vertex represents a critical point of failure. The method can be utilized to evaluate wide variety of networks, including power grid infrastructures, communication network topologies, and fluid distribution systems.

A model for the distributed storage and processing of large arrays

NASA Technical Reports Server (NTRS)

Mehrota, P.; Pratt, T. W.

1983-01-01

A conceptual model for parallel computations on large arrays is developed. The model provides a set of language concepts appropriate for processing arrays which are generally too large to fit in the primary memories of a multiprocessor system. The semantic model is used to represent arrays on a concurrent architecture in such a way that the performance realities inherent in the distributed storage and processing can be adequately represented. An implementation of the large array concept as an Ada package is also described.

Overhead Crane Computer Model

NASA Astrophysics Data System (ADS)

Enin, S. S.; Omelchenko, E. Y.; Fomin, N. V.; Beliy, A. V.

2018-03-01

The paper has a description of a computer model of an overhead crane system. The designed overhead crane system consists of hoisting, trolley and crane mechanisms as well as a payload two-axis system. With the help of the differential equation of specified mechanisms movement derived through Lagrange equation of the II kind, it is possible to build an overhead crane computer model. The computer model was obtained using Matlab software. Transients of coordinate, linear speed and motor torque of trolley and crane mechanism systems were simulated. In addition, transients of payload swaying were obtained with respect to the vertical axis. A trajectory of the trolley mechanism with simultaneous operation with the crane mechanism is represented in the paper as well as a two-axis trajectory of payload. The designed computer model of an overhead crane is a great means for studying positioning control and anti-sway control systems.

SCS-CN based time-distributed sediment yield model

NASA Astrophysics Data System (ADS)

Tyagi, J. V.; Mishra, S. K.; Singh, Ranvir; Singh, V. P.

2008-05-01

SummaryA sediment yield model is developed to estimate the temporal rates of sediment yield from rainfall events on natural watersheds. The model utilizes the SCS-CN based infiltration model for computation of rainfall-excess rate, and the SCS-CN-inspired proportionality concept for computation of sediment-excess. For computation of sedimentographs, the sediment-excess is routed to the watershed outlet using a single linear reservoir technique. Analytical development of the model shows the ratio of the potential maximum erosion (A) to the potential maximum retention (S) of the SCS-CN method is constant for a watershed. The model is calibrated and validated on a number of events using the data of seven watersheds from India and the USA. Representative values of the A/S ratio computed for the watersheds from calibration are used for the validation of the model. The encouraging results of the proposed simple four parameter model exhibit its potential in field application.

A multi-resolution approach to electromagnetic modelling

NASA Astrophysics Data System (ADS)

Cherevatova, M.; Egbert, G. D.; Smirnov, M. Yu

2018-07-01

We present a multi-resolution approach for 3-D magnetotelluric forward modelling. Our approach is motivated by the fact that fine-grid resolution is typically required at shallow levels to adequately represent near surface inhomogeneities, topography and bathymetry, while a much coarser grid may be adequate at depth where the diffusively propagating electromagnetic fields are much smoother. With a conventional structured finite difference grid, the fine discretization required to adequately represent rapid variations near the surface is continued to all depths, resulting in higher computational costs. Increasing the computational efficiency of the forward modelling is especially important for solving regularized inversion problems. We implement a multi-resolution finite difference scheme that allows us to decrease the horizontal grid resolution with depth, as is done with vertical discretization. In our implementation, the multi-resolution grid is represented as a vertical stack of subgrids, with each subgrid being a standard Cartesian tensor product staggered grid. Thus, our approach is similar to the octree discretization previously used for electromagnetic modelling, but simpler in that we allow refinement only with depth. The major difficulty arose in deriving the forward modelling operators on interfaces between adjacent subgrids. We considered three ways of handling the interface layers and suggest a preferable one, which results in similar accuracy as the staggered grid solution, while retaining the symmetry of coefficient matrix. A comparison between multi-resolution and staggered solvers for various models shows that multi-resolution approach improves on computational efficiency without compromising the accuracy of the solution.

The graph neural network model.

PubMed

Scarselli, Franco; Gori, Marco; Tsoi, Ah Chung; Hagenbuchner, Markus; Monfardini, Gabriele

2009-01-01

Many underlying relationships among data in several areas of science and engineering, e.g., computer vision, molecular chemistry, molecular biology, pattern recognition, and data mining, can be represented in terms of graphs. In this paper, we propose a new neural network model, called graph neural network (GNN) model, that extends existing neural network methods for processing the data represented in graph domains. This GNN model, which can directly process most of the practically useful types of graphs, e.g., acyclic, cyclic, directed, and undirected, implements a function tau(G,n) is an element of IR(m) that maps a graph G and one of its nodes n into an m-dimensional Euclidean space. A supervised learning algorithm is derived to estimate the parameters of the proposed GNN model. The computational cost of the proposed algorithm is also considered. Some experimental results are shown to validate the proposed learning algorithm, and to demonstrate its generalization capabilities.

Modeling a Nursing Guideline with Standard Terminology and Unified Modeling Language for a Nursing Decision Support System: A Case Study.

PubMed

Choi, Jeeyae; Jansen, Kay; Coenen, Amy

In recent years, Decision Support Systems (DSSs) have been developed and used to achieve "meaningful use". One approach to developing DSSs is to translate clinical guidelines into a computer-interpretable format. However, there is no specific guideline modeling approach to translate nursing guidelines to computer-interpretable guidelines. This results in limited use of DSSs in nursing. Unified modeling language (UML) is a software writing language known to accurately represent the end-users' perspective, due to its expressive characteristics. Furthermore, standard terminology enabled DSSs have been shown to smoothly integrate into existing health information systems. In order to facilitate development of nursing DSSs, the UML was used to represent a guideline for medication management for older adults encode with the International Classification for Nursing Practice (ICNP®). The UML was found to be a useful and sufficient tool to model a nursing guideline for a DSS.

Modeling a Nursing Guideline with Standard Terminology and Unified Modeling Language for a Nursing Decision Support System: A Case Study

PubMed Central

Choi, Jeeyae; Jansen, Kay; Coenen, Amy

2015-01-01

In recent years, Decision Support Systems (DSSs) have been developed and used to achieve “meaningful use”. One approach to developing DSSs is to translate clinical guidelines into a computer-interpretable format. However, there is no specific guideline modeling approach to translate nursing guidelines to computer-interpretable guidelines. This results in limited use of DSSs in nursing. Unified modeling language (UML) is a software writing language known to accurately represent the end-users’ perspective, due to its expressive characteristics. Furthermore, standard terminology enabled DSSs have been shown to smoothly integrate into existing health information systems. In order to facilitate development of nursing DSSs, the UML was used to represent a guideline for medication management for older adults encode with the International Classification for Nursing Practice (ICNP®). The UML was found to be a useful and sufficient tool to model a nursing guideline for a DSS. PMID:26958174

Low-Dimensional Models for Physiological Systems: Nonlinear Coupling of Gas and Liquid Flows

NASA Astrophysics Data System (ADS)

Staples, A. E.; Oran, E. S.; Boris, J. P.; Kailasanath, K.

2006-11-01

Current computational models of biological organisms focus on the details of a specific component of the organism. For example, very detailed models of the human heart, an aorta, a vein, or part of the respiratory or digestive system, are considered either independently from the rest of the body, or as interacting simply with other systems and components in the body. In actual biological organisms, these components and systems are strongly coupled and interact in complex, nonlinear ways leading to complicated global behavior. Here we describe a low-order computational model of two physiological systems, based loosely on a circulatory and respiratory system. Each system is represented as a one-dimensional fluid system with an interconnected series of mass sources, pumps, valves, and other network components, as appropriate, representing different physical organs and system components. Preliminary results from a first version of this model system are presented.

Teaching Simulation and Modelling at Royal Military College.

ERIC Educational Resources Information Center

Bonin, Hugues W.; Weir, Ronald D.

1984-01-01

Describes a course designed to assist students in writing differential equations to represent chemical processes and to solve these problems on digital computers. Course outline and discussion of computer projects and the simulation and optimization of a continuously stirred tank reactor process are included. (JN)

Extracting Useful Semantic Information from Large Scale Corpora of Text

ERIC Educational Resources Information Center

Mendoza, Ray Padilla, Jr.

2012-01-01

Extracting and representing semantic information from large scale corpora is at the crux of computer-assisted knowledge generation. Semantic information depends on collocation extraction methods, mathematical models used to represent distributional information, and weighting functions which transform the space. This dissertation provides a…

Quantum Vertex Model for Reversible Classical Computing

NASA Astrophysics Data System (ADS)

Chamon, Claudio; Mucciolo, Eduardo; Ruckenstein, Andrei; Yang, Zhicheng

We present a planar vertex model that encodes the result of a universal reversible classical computation in its ground state. The approach involves Boolean variables (spins) placed on links of a two-dimensional lattice, with vertices representing logic gates. Large short-ranged interactions between at most two spins implement the operation of each gate. The lattice is anisotropic with one direction corresponding to computational time, and with transverse boundaries storing the computation's input and output. The model displays no finite temperature phase transitions, including no glass transitions, independent of circuit. The computational complexity is encoded in the scaling of the relaxation rate into the ground state with the system size. We use thermal annealing and a novel and more efficient heuristic \\x9Dannealing with learning to study various computational problems. To explore faster relaxation routes, we construct an explicit mapping of the vertex model into the Chimera architecture of the D-Wave machine, initiating a novel approach to reversible classical computation based on quantum annealing.

Applied Computational Electromagnetics Society Journal. Volume 7, Number 1, Summer 1992

DTIC Science & Technology

1992-01-01

previously-solved computational problem in electrical engineering, physics, or related fields of study. The technical activities promoted by this...in solution technique or in data input/output; identification of new applica- tions for electromagnetics modeling codes and techniques; integration of...papers will represent the computational electromagnetics aspects of research in electrical engineering, physics, or related disciplines. However, papers

A proposed-standard format to represent and distribute tomographic models and other earth spatial data

NASA Astrophysics Data System (ADS)

Postpischl, L.; Morelli, A.; Danecek, P.

2009-04-01

Formats used to represent (and distribute) tomographic earth models differ considerably and are rarely self-consistent. In fact, each earth scientist, or research group, uses specific conventions to encode the various parameterizations used to describe, e.g., seismic wave speed or density in three dimensions, and complete information is often found in related documents or publications (if available at all) only. As a consequence, use of various tomographic models from different authors requires considerable effort, is more cumbersome than it should be and prevents widespread exchange and circulation within the community. We propose a format, based on modern web standards, able to represent different (grid-based) model parameterizations within the same simple text-based environment, easy to write, to parse, and to visualise. The aim is the creation of self-describing data-structures, both human and machine readable, that are automatically recognised by general-purpose software agents, and easily imported in the scientific programming environment. We think that the adoption of such a representation as a standard for the exchange and distribution of earth models can greatly ease their usage and enhance their circulation, both among fellow seismologists and among a broader non-specialist community. The proposed solution uses semantic web technologies, fully fitting the current trends in data accessibility. It is based on Json (JavaScript Object Notation), a plain-text, human-readable lightweight computer data interchange format, which adopts a hierarchical name-value model for representing simple data structures and associative arrays (called objects). Our implementation allows integration of large datasets with metadata (authors, affiliations, bibliographic references, units of measure etc.) into a single resource. It is equally suited to represent other geo-referenced volumetric quantities — beyond tomographic models — as well as (structured and unstructured) computational meshes. This approach can exploit the capabilities of the web browser as a computing platform: a series of in-page quick tools for comparative analysis between models will be presented, as well as visualisation techniques for tomographic layers in Google Maps and Google Earth. We are working on tools for conversion into common scientific format like netCDF, to allow easy visualisation in GEON-IDV or gmt.

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.

An Integrated High Resolution Hydrometeorological Modeling Testbed using LIS and WRF

NASA Technical Reports Server (NTRS)

Kumar, Sujay V.; Peters-Lidard, Christa D.; Eastman, Joseph L.; Tao, Wei-Kuo

2007-01-01

Scientists have made great strides in modeling physical processes that represent various weather and climate phenomena. Many modeling systems that represent the major earth system components (the atmosphere, land surface, and ocean) have been developed over the years. However, developing advanced Earth system applications that integrates these independently developed modeling systems have remained a daunting task due to limitations in computer hardware and software. Recently, efforts such as the Earth System Modeling Ramework (ESMF) and Assistance for Land Modeling Activities (ALMA) have focused on developing standards, guidelines, and computational support for coupling earth system model components. In this article, the development of a coupled land-atmosphere hydrometeorological modeling system that adopts these community interoperability standards, is described. The land component is represented by the Land Information System (LIS), developed by scientists at the NASA Goddard Space Flight Center. The Weather Research and Forecasting (WRF) model, a mesoscale numerical weather prediction system, is used as the atmospheric component. LIS includes several community land surface models that can be executed at spatial scales as fine as 1km. The data management capabilities in LIS enable the direct use of high resolution satellite and observation data for modeling. Similarly, WRF includes several parameterizations and schemes for modeling radiation, microphysics, PBL and other processes. Thus the integrated LIS-WRF system facilitates several multi-model studies of land-atmosphere coupling that can be used to advance earth system studies.

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.

Computational methods for global/local analysis

NASA Technical Reports Server (NTRS)

Ransom, Jonathan B.; Mccleary, Susan L.; Aminpour, Mohammad A.; Knight, Norman F., Jr.

1992-01-01

Computational methods for global/local analysis of structures which include both uncoupled and coupled methods are described. In addition, global/local analysis methodology for automatic refinement of incompatible global and local finite element models is developed. Representative structural analysis problems are presented to demonstrate the global/local analysis methods.

CIRCUS--A digital computer program for transient analysis of electronic circuits

NASA Technical Reports Server (NTRS)

Moore, W. T.; Steinbert, L. L.

1968-01-01

Computer program simulates the time domain response of an electronic circuit to an arbitrary forcing function. CIRCUS uses a charge-control parameter model to represent each semiconductor device. Given the primary photocurrent, the transient behavior of a circuit in a radiation environment is determined.

Model-Based Knowing: How Do Students Ground Their Understanding About Climate Systems in Agent-Based Computer Models?

NASA Astrophysics Data System (ADS)

Markauskaite, Lina; Kelly, Nick; Jacobson, Michael J.

2017-12-01

This paper gives a grounded cognition account of model-based learning of complex scientific knowledge related to socio-scientific issues, such as climate change. It draws on the results from a study of high school students learning about the carbon cycle through computational agent-based models and investigates two questions: First, how do students ground their understanding about the phenomenon when they learn and solve problems with computer models? Second, what are common sources of mistakes in students' reasoning with computer models? Results show that students ground their understanding in computer models in five ways: direct observation, straight abstraction, generalisation, conceptualisation, and extension. Students also incorporate into their reasoning their knowledge and experiences that extend beyond phenomena represented in the models, such as attitudes about unsustainable carbon emission rates, human agency, external events, and the nature of computational models. The most common difficulties of the students relate to seeing the modelled scientific phenomenon and connecting results from the observations with other experiences and understandings about the phenomenon in the outside world. An important contribution of this study is the constructed coding scheme for establishing different ways of grounding, which helps to understand some challenges that students encounter when they learn about complex phenomena with agent-based computer models.

The Dynamics of Phonological Planning

ERIC Educational Resources Information Center

Roon, Kevin D.

2013-01-01

This dissertation proposes a dynamical computational model of the timecourse of phonological parameter setting. In the model, phonological representations embrace phonetic detail, with phonetic parameters represented as activation fields that evolve over time and determine the specific parameter settings of a planned utterance. Existing models of…

Enabling Integrated Decision Making for Electronic-Commerce by Modelling an Enterprise's Sharable Knowledge.

ERIC Educational Resources Information Center

Kim, Henry M.

2000-01-01

An enterprise model, a computational model of knowledge about an enterprise, is a useful tool for integrated decision-making by e-commerce suppliers and customers. Sharable knowledge, once represented in an enterprise model, can be integrated by the modeled enterprise's e-commerce partners. Presents background on enterprise modeling, followed by…

An Accurate and Dynamic Computer Graphics Muscle Model

NASA Technical Reports Server (NTRS)

Levine, David Asher

1997-01-01

A computer based musculo-skeletal model was developed at the University in the departments of Mechanical and Biomedical Engineering. This model accurately represents human shoulder kinematics. The result of this model is the graphical display of bones moving through an appropriate range of motion based on inputs of EMGs and external forces. The need existed to incorporate a geometric muscle model in the larger musculo-skeletal model. Previous muscle models did not accurately represent muscle geometries, nor did they account for the kinematics of tendons. This thesis covers the creation of a new muscle model for use in the above musculo-skeletal model. This muscle model was based on anatomical data from the Visible Human Project (VHP) cadaver study. Two-dimensional digital images from the VHP were analyzed and reconstructed to recreate the three-dimensional muscle geometries. The recreated geometries were smoothed, reduced, and sliced to form data files defining the surfaces of each muscle. The muscle modeling function opened these files during run-time and recreated the muscle surface. The modeling function applied constant volume limitations to the muscle and constant geometry limitations to the tendons.

Vertically-Integrated Dual-Continuum Models for CO2 Injection in Fractured Aquifers

NASA Astrophysics Data System (ADS)

Tao, Y.; Guo, B.; Bandilla, K.; Celia, M. A.

2017-12-01

Injection of CO2 into a saline aquifer leads to a two-phase flow system, with supercritical CO2 and brine being the two fluid phases. Various modeling approaches, including fully three-dimensional (3D) models and vertical-equilibrium (VE) models, have been used to study the system. Almost all of that work has focused on unfractured formations. 3D models solve the governing equations in three dimensions and are applicable to generic geological formations. VE models assume rapid and complete buoyant segregation of the two fluid phases, resulting in vertical pressure equilibrium and allowing integration of the governing equations in the vertical dimension. This reduction in dimensionality makes VE models computationally more efficient, but the associated assumptions restrict the applicability of VE model to formations with moderate to high permeability. In this presentation, we extend the VE and 3D models for CO2 injection in fractured aquifers. This is done in the context of dual-continuum modeling, where the fractured formation is modeled as an overlap of two continuous domains, one representing the fractures and the other representing the rock matrix. Both domains are treated as porous media continua and can be modeled by either a VE or a 3D formulation. The transfer of fluid mass between rock matrix and fractures is represented by a mass transfer function connecting the two domains. We have developed a computational model that combines the VE and 3D models, where we use the VE model in the fractures, which typically have high permeability, and the 3D model in the less permeable rock matrix. A new mass transfer function is derived, which couples the VE and 3D models. The coupled VE-3D model can simulate CO2 injection and migration in fractured aquifers. Results from this model compare well with a full-3D model in which both the fractures and rock matrix are modeled with 3D models, with the hybrid VE-3D model having significantly reduced computational cost. In addition to the VE-3D model, we explore simplifications of the rock matrix domain by using sugar-cube and matchstick conceptualizations and develop VE-dual porosity and VE-matchstick models. These vertically-integrated dual-permeability and dual-porosity models provide a range of computationally efficient tools to model CO2 storage in fractured saline aquifers.

Prediction of High-Lift Flows using Turbulent Closure Models

NASA Technical Reports Server (NTRS)

Rumsey, Christopher L.; Gatski, Thomas B.; Ying, Susan X.; Bertelrud, Arild

1997-01-01

The flow over two different multi-element airfoil configurations is computed using linear eddy viscosity turbulence models and a nonlinear explicit algebraic stress model. A subset of recently-measured transition locations using hot film on a McDonnell Douglas configuration is presented, and the effect of transition location on the computed solutions is explored. Deficiencies in wake profile computations are found to be attributable in large part to poor boundary layer prediction on the generating element, and not necessarily inadequate turbulence modeling in the wake. Using measured transition locations for the main element improves the prediction of its boundary layer thickness, skin friction, and wake profile shape. However, using measured transition locations on the slat still yields poor slat wake predictions. The computation of the slat flow field represents a key roadblock to successful predictions of multi-element flows. In general, the nonlinear explicit algebraic stress turbulence model gives very similar results to the linear eddy viscosity models.

Modeling aspects of human memory for scientific study.

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

Caudell, Thomas P.; Watson, Patrick; McDaniel, Mark A.

Working with leading experts in the field of cognitive neuroscience and computational intelligence, SNL has developed a computational architecture that represents neurocognitive mechanisms associated with how humans remember experiences in their past. The architecture represents how knowledge is organized and updated through information from individual experiences (episodes) via the cortical-hippocampal declarative memory system. We compared the simulated behavioral characteristics with those of humans measured under well established experimental standards, controlling for unmodeled aspects of human processing, such as perception. We used this knowledge to create robust simulations of & human memory behaviors that should help move the scientific community closermore » to understanding how humans remember information. These behaviors were experimentally validated against actual human subjects, which was published. An important outcome of the validation process will be the joining of specific experimental testing procedures from the field of neuroscience with computational representations from the field of cognitive modeling and simulation.« less

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.

Advanced soft computing diagnosis method for tumour grading.

PubMed

Papageorgiou, E I; Spyridonos, P P; Stylios, C D; Ravazoula, P; Groumpos, P P; Nikiforidis, G N

2006-01-01

To develop an advanced diagnostic method for urinary bladder tumour grading. A novel soft computing modelling methodology based on the augmentation of fuzzy cognitive maps (FCMs) with the unsupervised active Hebbian learning (AHL) algorithm is applied. One hundred and twenty-eight cases of urinary bladder cancer were retrieved from the archives of the Department of Histopathology, University Hospital of Patras, Greece. All tumours had been characterized according to the classical World Health Organization (WHO) grading system. To design the FCM model for tumour grading, three experts histopathologists defined the main histopathological features (concepts) and their impact on grade characterization. The resulted FCM model consisted of nine concepts. Eight concepts represented the main histopathological features for tumour grading. The ninth concept represented the tumour grade. To increase the classification ability of the FCM model, the AHL algorithm was applied to adjust the weights of the FCM. The proposed FCM grading model achieved a classification accuracy of 72.5%, 74.42% and 95.55% for tumours of grades I, II and III, respectively. An advanced computerized method to support tumour grade diagnosis decision was proposed and developed. The novelty of the method is based on employing the soft computing method of FCMs to represent specialized knowledge on histopathology and on augmenting FCMs ability using an unsupervised learning algorithm, the AHL. The proposed method performs with reasonably high accuracy compared to other existing methods and at the same time meets the physicians' requirements for transparency and explicability.

View northeast of model board representing northern portion of trackage ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

View northeast of model board representing northern portion of trackage monitored by the Philadelphia poer directors center; free-standing cabinet at far right center of photograph is an early computer which supplanted operator control from Lamokin Tower in the 1980's; switchboard console #1 for controlling indicating lights is at lower right - Thirtieth Street Station, Power Director Center, Thirtieth & Market Streets in Amtrak Railroad Station, Philadelphia, Philadelphia County, PA

Evaluation of the effect of postural and gravitational variations on the distribution of pulmonary blood flow via an image-based computational model.

PubMed

Burrowes, K S; Hunter, P J; Tawhai, M H

2005-01-01

We have developed an image-based computational model of blood flow within the human pulmonary circulation in order to investigate the distribution of flow under various conditions of posture and gravity. Geometric models of the lobar surfaces and largest arterial and venous vessels were derived from multi-detector row X-ray computed tomography. The remaining blood vessels were generated using a volume-filling branching algorithm. Equations representing conservation of mass and momentum are solved within the vascular geometry to calculate pressure, radius, and velocity distributions. Flow solutions are obtained within the model in the upright, inverted, prone, and supine postures and in the upright posture with and without gravity. Additional equations representing large deformation mechanics are used to calculate the change in lung geometry and pressure distributions within the lung in the various postures - creating a coupled, co-dependent model of mechanics and flow. The embedded vascular meshes deform in accordance with the lung geometry. Results illustrate a persistent flow gradient from the top to the bottom of the lung even in the absence of gravity and in all postures, indicating that vascular branching structure is largely responsible for the distribution of flow.

Statistical Compression for Climate Model Output

NASA Astrophysics Data System (ADS)

Hammerling, D.; Guinness, J.; Soh, Y. J.

2017-12-01

Numerical climate model simulations run at high spatial and temporal resolutions generate massive quantities of data. As our computing capabilities continue to increase, storing all of the data is not sustainable, and thus is it important to develop methods for representing the full datasets by smaller compressed versions. We propose a statistical compression and decompression algorithm based on storing a set of summary statistics as well as a statistical model describing the conditional distribution of the full dataset given the summary statistics. We decompress the data by computing conditional expectations and conditional simulations from the model given the summary statistics. Conditional expectations represent our best estimate of the original data but are subject to oversmoothing in space and time. Conditional simulations introduce realistic small-scale noise so that the decompressed fields are neither too smooth nor too rough compared with the original data. Considerable attention is paid to accurately modeling the original dataset-one year of daily mean temperature data-particularly with regard to the inherent spatial nonstationarity in global fields, and to determining the statistics to be stored, so that the variation in the original data can be closely captured, while allowing for fast decompression and conditional emulation on modest computers.

Mathematical modeling based on ordinary differential equations: A promising approach to vaccinology

PubMed Central

Bonin, Carla Rezende Barbosa; Fernandes, Guilherme Cortes; dos Santos, Rodrigo Weber; Lobosco, Marcelo

2017-01-01

ABSTRACT New contributions that aim to accelerate the development or to improve the efficacy and safety of vaccines arise from many different areas of research and technology. One of these areas is computational science, which traditionally participates in the initial steps, such as the pre-screening of active substances that have the potential to become a vaccine antigen. In this work, we present another promising way to use computational science in vaccinology: mathematical and computational models of important cell and protein dynamics of the immune system. A system of Ordinary Differential Equations represents different immune system populations, such as B cells and T cells, antigen presenting cells and antibodies. In this way, it is possible to simulate, in silico, the immune response to vaccines under development or under study. Distinct scenarios can be simulated by varying parameters of the mathematical model. As a proof of concept, we developed a model of the immune response to vaccination against the yellow fever. Our simulations have shown consistent results when compared with experimental data available in the literature. The model is generic enough to represent the action of other diseases or vaccines in the human immune system, such as dengue and Zika virus. PMID:28027002

Mathematical modeling based on ordinary differential equations: A promising approach to vaccinology.

PubMed

Bonin, Carla Rezende Barbosa; Fernandes, Guilherme Cortes; Dos Santos, Rodrigo Weber; Lobosco, Marcelo

2017-02-01

New contributions that aim to accelerate the development or to improve the efficacy and safety of vaccines arise from many different areas of research and technology. One of these areas is computational science, which traditionally participates in the initial steps, such as the pre-screening of active substances that have the potential to become a vaccine antigen. In this work, we present another promising way to use computational science in vaccinology: mathematical and computational models of important cell and protein dynamics of the immune system. A system of Ordinary Differential Equations represents different immune system populations, such as B cells and T cells, antigen presenting cells and antibodies. In this way, it is possible to simulate, in silico, the immune response to vaccines under development or under study. Distinct scenarios can be simulated by varying parameters of the mathematical model. As a proof of concept, we developed a model of the immune response to vaccination against the yellow fever. Our simulations have shown consistent results when compared with experimental data available in the literature. The model is generic enough to represent the action of other diseases or vaccines in the human immune system, such as dengue and Zika virus.

Mathematical model for steady state, simple ampholyte isoelectric focusing: Development, computer simulation and implementation

NASA Technical Reports Server (NTRS)

Palusinski, O. A.; Allgyer, T. T.

1979-01-01

The elimination of Ampholine from the system by establishing the pH gradient with simple ampholytes is proposed. A mathematical model was exercised at the level of the two-component system by using values for mobilities, diffusion coefficients, and dissociation constants representative of glutamic acid and histidine. The constants assumed in the calculations are reported. The predictions of the model and computer simulation of isoelectric focusing experiments are in direct importance to obtain Ampholine-free, stable pH gradients.

Robot computer problem solving system

NASA Technical Reports Server (NTRS)

Merriam, E. W.; Becker, J. D.

1973-01-01

A robot computer problem solving system which represents a robot exploration vehicle in a simulated Mars environment is described. The model exhibits changes and improvements made on a previously designed robot in a city environment. The Martian environment is modeled in Cartesian coordinates; objects are scattered about a plane; arbitrary restrictions on the robot's vision have been removed; and the robot's path contains arbitrary curves. New environmental features, particularly the visual occlusion of objects by other objects, were added to the model. Two different algorithms were developed for computing occlusion. Movement and vision capabilities of the robot were established in the Mars environment, using LISP/FORTRAN interface for computational efficiency. The graphical display program was redesigned to reflect the change to the Mars-like environment.

Modeling and Simulation of Explosively Driven Electromechanical Devices

NASA Astrophysics Data System (ADS)

Demmie, Paul N.

2002-07-01

Components that store electrical energy in ferroelectric materials and produce currents when their permittivity is explosively reduced are used in a variety of applications. The modeling and simulation of such devices is a challenging problem since one has to represent the coupled physics of detonation, shock propagation, and electromagnetic field generation. The high fidelity modeling and simulation of complicated electromechanical devices was not feasible prior to having the Accelerated Strategic Computing Initiative (ASCI) computers and the ASCI developed codes at Sandia National Laboratories (SNL). The EMMA computer code is used to model such devices and simulate their operation. In this paper, I discuss the capabilities of the EMMA code for the modeling and simulation of one such electromechanical device, a slim-loop ferroelectric (SFE) firing set.

A linear programming approach to reconstructing subcellular structures from confocal images for automated generation of representative 3D cellular models.

PubMed

Wood, Scott T; Dean, Brian C; Dean, Delphine

2013-04-01

This paper presents a novel computer vision algorithm to analyze 3D stacks of confocal images of fluorescently stained single cells. The goal of the algorithm is to create representative in silico model structures that can be imported into finite element analysis software for mechanical characterization. Segmentation of cell and nucleus boundaries is accomplished via standard thresholding methods. Using novel linear programming methods, a representative actin stress fiber network is generated by computing a linear superposition of fibers having minimum discrepancy compared with an experimental 3D confocal image. Qualitative validation is performed through analysis of seven 3D confocal image stacks of adherent vascular smooth muscle cells (VSMCs) grown in 2D culture. The presented method is able to automatically generate 3D geometries of the cell's boundary, nucleus, and representative F-actin network based on standard cell microscopy data. These geometries can be used for direct importation and implementation in structural finite element models for analysis of the mechanics of a single cell to potentially speed discoveries in the fields of regenerative medicine, mechanobiology, and drug discovery. Copyright © 2012 Elsevier B.V. All rights reserved.

Cognitive Architectures and Human-Computer Interaction. Introduction to Special Issue.

ERIC Educational Resources Information Center

Gray, Wayne D.; Young, Richard M.; Kirschenbaum, Susan S.

1997-01-01

In this introduction to a special issue on cognitive architectures and human-computer interaction (HCI), editors and contributors provide a brief overview of cognitive architectures. The following four architectures represented by articles in this issue are: Soar; LICAI (linked model of comprehension-based action planning and instruction taking);…

Modeling and optimum time performance for concurrent processing

NASA Technical Reports Server (NTRS)

Mielke, Roland R.; Stoughton, John W.; Som, Sukhamoy

1988-01-01

The development of a new graph theoretic model for describing the relation between a decomposed algorithm and its execution in a data flow environment is presented. Called ATAMM, the model consists of a set of Petri net marked graphs useful for representing decision-free algorithms having large-grained, computationally complex primitive operations. Performance time measures which determine computing speed and throughput capacity are defined, and the ATAMM model is used to develop lower bounds for these times. A concurrent processing operating strategy for achieving optimum time performance is presented and illustrated by example.

Concept for a Satellite-Based Advanced Air Traffic Management System : Volume 9. System and Subsystem Performance Models.

DOT National Transportation Integrated Search

1973-02-01

The volume presents the models used to analyze basic features of the system, establish feasibility of techniques, and evaluate system performance. The models use analytical expressions and computer simulations to represent the relationship between sy...

Physician Utilization of a Hospital Information System: A Computer Simulation Model

PubMed Central

Anderson, James G.; Jay, Stephen J.; Clevenger, Stephen J.; Kassing, David R.; Perry, Jane; Anderson, Marilyn M.

1988-01-01

The purpose of this research was to develop a computer simulation model that represents the process through which physicians enter orders into a hospital information system (HIS). Computer simulation experiments were performed to estimate the effects of two methods of order entry on outcome variables. The results of the computer simulation experiments were used to perform a cost-benefit analysis to compare the two different means of entering medical orders into the HIS. The results indicate that the use of personal order sets to enter orders into the HIS will result in a significant reduction in manpower, salaries and fringe benefits, and errors in order entry.

Human systems dynamics: Toward a computational model

NASA Astrophysics Data System (ADS)

Eoyang, Glenda H.

2012-09-01

A robust and reliable computational model of complex human systems dynamics could support advancements in theory and practice for social systems at all levels, from intrapersonal experience to global politics and economics. Models of human interactions have evolved from traditional, Newtonian systems assumptions, which served a variety of practical and theoretical needs of the past. Another class of models has been inspired and informed by models and methods from nonlinear dynamics, chaos, and complexity science. None of the existing models, however, is able to represent the open, high dimension, and nonlinear self-organizing dynamics of social systems. An effective model will represent interactions at multiple levels to generate emergent patterns of social and political life of individuals and groups. Existing models and modeling methods are considered and assessed against characteristic pattern-forming processes in observed and experienced phenomena of human systems. A conceptual model, CDE Model, based on the conditions for self-organizing in human systems, is explored as an alternative to existing models and methods. While the new model overcomes the limitations of previous models, it also provides an explanatory base and foundation for prospective analysis to inform real-time meaning making and action taking in response to complex conditions in the real world. An invitation is extended to readers to engage in developing a computational model that incorporates the assumptions, meta-variables, and relationships of this open, high dimension, and nonlinear conceptual model of the complex dynamics of human systems.

A Study on the Effects of Spatial Scale on Snow Process in Hyper-Resolution Hydrological Modelling over Mountainous Areas

NASA Astrophysics Data System (ADS)

Garousi Nejad, I.; He, S.; Tang, Q.; Ogden, F. L.; Steinke, R. C.; Frazier, N.; Tarboton, D. G.; Ohara, N.; Lin, H.

2017-12-01

Spatial scale is one of the main considerations in hydrological modeling of snowmelt in mountainous areas. The size of model elements controls the degree to which variability can be explicitly represented versus what needs to be parameterized using effective properties such as averages or other subgrid variability parameterizations that may degrade the quality of model simulations. For snowmelt modeling terrain parameters such as slope, aspect, vegetation and elevation play an important role in the timing and quantity of snowmelt that serves as an input to hydrologic runoff generation processes. In general, higher resolution enhances the accuracy of the simulation since fine meshes represent and preserve the spatial variability of atmospheric and surface characteristics better than coarse resolution. However, this increases computational cost and there may be a scale beyond which the model response does not improve due to diminishing sensitivity to variability and irreducible uncertainty associated with the spatial interpolation of inputs. This paper examines the influence of spatial resolution on the snowmelt process using simulations of and data from the Animas River watershed, an alpine mountainous area in Colorado, USA, using an unstructured distributed physically based hydrological model developed for a parallel computing environment, ADHydro. Five spatial resolutions (30 m, 100 m, 250 m, 500 m, and 1 km) were used to investigate the variations in hydrologic response. This study demonstrated the importance of choosing the appropriate spatial scale in the implementation of ADHydro to obtain a balance between representing spatial variability and the computational cost. According to the results, variation in the input variables and parameters due to using different spatial resolution resulted in changes in the obtained hydrological variables, especially snowmelt, both at the basin-scale and distributed across the model mesh.

Empirical Performance Model-Driven Data Layout Optimization and Library Call Selection for Tensor Contraction Expressions

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

Lu, Qingda; Gao, Xiaoyang; Krishnamoorthy, Sriram

Empirical optimizers like ATLAS have been very effective in optimizing computational kernels in libraries. The best choice of parameters such as tile size and degree of loop unrolling is determined by executing different versions of the computation. In contrast, optimizing compilers use a model-driven approach to program transformation. While the model-driven approach of optimizing compilers is generally orders of magnitude faster than ATLAS-like library generators, its effectiveness can be limited by the accuracy of the performance models used. In this paper, we describe an approach where a class of computations is modeled in terms of constituent operations that are empiricallymore » measured, thereby allowing modeling of the overall execution time. The performance model with empirically determined cost components is used to perform data layout optimization together with the selection of library calls and layout transformations in the context of the Tensor Contraction Engine, a compiler for a high-level domain-specific language for expressing computational models in quantum chemistry. The effectiveness of the approach is demonstrated through experimental measurements on representative computations from quantum chemistry.« less

Computational modelling of the impact of AIDS on business.

PubMed

Matthews, Alan P

2007-07-01

An overview of computational modelling of the impact of AIDS on business in South Africa, with a detailed description of the AIDS Projection Model (APM) for companies, developed by the author, and suggestions for further work. Computational modelling of the impact of AIDS on business in South Africa requires modelling of the epidemic as a whole, and of its impact on a company. This paper gives an overview of epidemiological modelling, with an introduction to the Actuarial Society of South Africa (ASSA) model, the most widely used such model for South Africa. The APM produces projections of HIV prevalence, new infections, and AIDS mortality on a company, based on the anonymous HIV testing of company employees, and projections from the ASSA model. A smoothed statistical model of the prevalence test data is computed, and then the ASSA model projection for each category of employees is adjusted so that it matches the measured prevalence in the year of testing. FURTHER WORK: Further techniques that could be developed are microsimulation (representing individuals in the computer), scenario planning for testing strategies, and models for the business environment, such as models of entire sectors, and mapping of HIV prevalence in time and space, based on workplace and community data.

Impact of topographic mask models on scanner matching solutions

NASA Astrophysics Data System (ADS)

Tyminski, Jacek K.; Pomplun, Jan; Renwick, Stephen P.

2014-03-01

Of keen interest to the IC industry are advanced computational lithography applications such as Optical Proximity Correction of IC layouts (OPC), scanner matching by optical proximity effect matching (OPEM), and Source Optimization (SO) and Source-Mask Optimization (SMO) used as advanced reticle enhancement techniques. The success of these tasks is strongly dependent on the integrity of the lithographic simulators used in computational lithography (CL) optimizers. Lithographic mask models used by these simulators are key drivers impacting the accuracy of the image predications, and as a consequence, determine the validity of these CL solutions. Much of the CL work involves Kirchhoff mask models, a.k.a. thin masks approximation, simplifying the treatment of the mask near-field images. On the other hand, imaging models for hyper-NA scanner require that the interactions of the illumination fields with the mask topography be rigorously accounted for, by numerically solving Maxwell's Equations. The simulators used to predict the image formation in the hyper-NA scanners must rigorously treat the masks topography and its interaction with the scanner illuminators. Such imaging models come at a high computational cost and pose challenging accuracy vs. compute time tradeoffs. Additional complication comes from the fact that the performance metrics used in computational lithography tasks show highly non-linear response to the optimization parameters. Finally, the number of patterns used for tasks such as OPC, OPEM, SO, or SMO range from tens to hundreds. These requirements determine the complexity and the workload of the lithography optimization tasks. The tools to build rigorous imaging optimizers based on first-principles governing imaging in scanners are available, but the quantifiable benefits they might provide are not very well understood. To quantify the performance of OPE matching solutions, we have compared the results of various imaging optimization trials obtained with Kirchhoff mask models to those obtained with rigorous models involving solutions of Maxwell's Equations. In both sets of trials, we used sets of large numbers of patterns, with specifications representative of CL tasks commonly encountered in hyper-NA imaging. In this report we present OPEM solutions based on various mask models and discuss the models' impact on hyper- NA scanner matching accuracy. We draw conclusions on the accuracy of results obtained with thin mask models vs. the topographic OPEM solutions. We present various examples representative of the scanner image matching for patterns representative of the current generation of IC designs.

Modeling methods for merging computational and experimental aerodynamic pressure data

NASA Astrophysics Data System (ADS)

Haderlie, Jacob C.

This research describes a process to model surface pressure data sets as a function of wing geometry from computational and wind tunnel sources and then merge them into a single predicted value. The described merging process will enable engineers to integrate these data sets with the goal of utilizing the advantages of each data source while overcoming the limitations of both; this provides a single, combined data set to support analysis and design. The main challenge with this process is accurately representing each data source everywhere on the wing. Additionally, this effort demonstrates methods to model wind tunnel pressure data as a function of angle of attack as an initial step towards a merging process that uses both location on the wing and flow conditions (e.g., angle of attack, flow velocity or Reynold's number) as independent variables. This surrogate model of pressure as a function of angle of attack can be useful for engineers that need to predict the location of zero-order discontinuities, e.g., flow separation or normal shocks. Because, to the author's best knowledge, there is no published, well-established merging method for aerodynamic pressure data (here, the coefficient of pressure Cp), this work identifies promising modeling and merging methods, and then makes a critical comparison of these methods. Surrogate models represent the pressure data for both data sets. Cubic B-spline surrogate models represent the computational simulation results. Machine learning and multi-fidelity surrogate models represent the experimental data. This research compares three surrogates for the experimental data (sequential--a.k.a. online--Gaussian processes, batch Gaussian processes, and multi-fidelity additive corrector) on the merits of accuracy and computational cost. The Gaussian process (GP) methods employ cubic B-spline CFD surrogates as a model basis function to build a surrogate model of the WT data, and this usage of the CFD surrogate in building the WT data could serve as a "merging" because the resulting WT pressure prediction uses information from both sources. In the GP approach, this model basis function concept seems to place more "weight" on the Cp values from the wind tunnel (WT) because the GP surrogate uses the CFD to approximate the WT data values. Conversely, the computationally inexpensive additive corrector method uses the CFD B-spline surrogate to define the shape of the spanwise distribution of the Cp while minimizing prediction error at all spanwise locations for a given arc length position; this, too, combines information from both sources to make a prediction of the 2-D WT-based Cp distribution, but the additive corrector approach gives more weight to the CFD prediction than to the WT data. Three surrogate models of the experimental data as a function of angle of attack are also compared for accuracy and computational cost. These surrogates are a single Gaussian process model (a single "expert"), product of experts, and generalized product of experts. The merging approach provides a single pressure distribution that combines experimental and computational data. The batch Gaussian process method provides a relatively accurate surrogate that is computationally acceptable, and can receive wind tunnel data from port locations that are not necessarily parallel to a variable direction. On the other hand, the sequential Gaussian process and additive corrector methods must receive a sufficient number of data points aligned with one direction, e.g., from pressure port bands (tap rows) aligned with the freestream. The generalized product of experts best represents wind tunnel pressure as a function of angle of attack, but at higher computational cost than the single expert approach. The format of the application data from computational and experimental sources in this work precluded the merging process from including flow condition variables (e.g., angle of attack) in the independent variables, so the merging process is only conducted in the wing geometry variables of arc length and span. The merging process of Cp data allows a more "hands-off" approach to aircraft design and analysis, (i.e., not as many engineers needed to debate the Cp distribution shape) and generates Cp predictions at any location on the wing. However, the cost with these benefits are engineer time (learning how to build surrogates), computational time in constructing the surrogates, and surrogate accuracy (surrogates introduce error into data predictions). This dissertation effort used the Trap Wing / First AIAA CFD High-Lift Prediction Workshop as a relevant transonic wing with a multi-element high-lift system, and this work identified that the batch GP model for the WT data and the B-spline surrogate for the CFD might best be combined using expert belief weights to describe Cp as a function of location on the wing element surface. (Abstract shortened by ProQuest.).

Models and Simulations as a Service: Exploring the Use of Galaxy for Delivering Computational Models

PubMed Central

Walker, Mark A.; Madduri, Ravi; Rodriguez, Alex; Greenstein, Joseph L.; Winslow, Raimond L.

2016-01-01

We describe the ways in which Galaxy, a web-based reproducible research platform, can be used for web-based sharing of complex computational models. Galaxy allows users to seamlessly customize and run simulations on cloud computing resources, a concept we refer to as Models and Simulations as a Service (MaSS). To illustrate this application of Galaxy, we have developed a tool suite for simulating a high spatial-resolution model of the cardiac Ca2+ spark that requires supercomputing resources for execution. We also present tools for simulating models encoded in the SBML and CellML model description languages, thus demonstrating how Galaxy’s reproducible research features can be leveraged by existing technologies. Finally, we demonstrate how the Galaxy workflow editor can be used to compose integrative models from constituent submodules. This work represents an important novel approach, to our knowledge, to making computational simulations more accessible to the broader scientific community. PMID:26958881

Representing Functions in n Dimensions to Arbitrary Accuracy

NASA Technical Reports Server (NTRS)

Scotti, Stephen J.

2007-01-01

A method of approximating a scalar function of n independent variables (where n is a positive integer) to arbitrary accuracy has been developed. This method is expected to be attractive for use in engineering computations in which it is necessary to link global models with local ones or in which it is necessary to interpolate noiseless tabular data that have been computed from analytic functions or numerical models in n-dimensional spaces of design parameters.

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

High Fidelity Simulations of Unsteady Flow through Turbopumps and Flowliners

NASA Technical Reports Server (NTRS)

Kiris, Cetin C.; Kwak, dochan; Chan, William; Housman, Jeff

2006-01-01

High fidelity computations were carried out to analyze the orbiter LH2 feedline flowliner. Computations were performed on the Columbia platform which is a 10,240-processor supercluster consisting of 20 Altix nodes with 512 processor each. Various computational models were used to characterize the unsteady flow features in the turbopump, including the orbiter Low-Pressure-Fuel-Turbopump (LPFTP) inducer, the orbiter manifold and a test article used to represent the manifold. Unsteady flow originating from the orbiter LPFTP inducer is one of the major contributors to the high frequency cyclic loading that results in high cycle fatigue damage to the gimbal flowliners just upstream of the LPFTP. The flow fields for the orbiter manifold and representative test article are computed and analyzed for similarities and differences. The incompressible Navier-Stokes flow solver INS3D, based on the artificial compressibility method, was used to compute the flow of liquid hydrogen in each test article.

TRIGRS - A Fortran Program for Transient Rainfall Infiltration and Grid-Based Regional Slope-Stability Analysis, Version 2.0

USGS Publications Warehouse

Baum, Rex L.; Savage, William Z.; Godt, Jonathan W.

2008-01-01

The Transient Rainfall Infiltration and Grid-Based Regional Slope-Stability Model (TRIGRS) is a Fortran program designed for modeling the timing and distribution of shallow, rainfall-induced landslides. The program computes transient pore-pressure changes, and attendant changes in the factor of safety, due to rainfall infiltration. The program models rainfall infiltration, resulting from storms that have durations ranging from hours to a few days, using analytical solutions for partial differential equations that represent one-dimensional, vertical flow in isotropic, homogeneous materials for either saturated or unsaturated conditions. Use of step-function series allows the program to represent variable rainfall input, and a simple runoff routing model allows the user to divert excess water from impervious areas onto more permeable downslope areas. The TRIGRS program uses a simple infinite-slope model to compute factor of safety on a cell-by-cell basis. An approximate formula for effective stress in unsaturated materials aids computation of the factor of safety in unsaturated soils. Horizontal heterogeneity is accounted for by allowing material properties, rainfall, and other input values to vary from cell to cell. This command-line program is used in conjunction with geographic information system (GIS) software to prepare input grids and visualize model results.

Neural Network Optimization of Ligament Stiffnesses for the Enhanced Predictive Ability of a Patient-Specific, Computational Foot/Ankle Model.

PubMed

Chande, Ruchi D; Wayne, Jennifer S

2017-09-01

Computational models of diarthrodial joints serve to inform the biomechanical function of these structures, and as such, must be supplied appropriate inputs for performance that is representative of actual joint function. Inputs for these models are sourced from both imaging modalities as well as literature. The latter is often the source of mechanical properties for soft tissues, like ligament stiffnesses; however, such data are not always available for all the soft tissues nor is it known for patient-specific work. In the current research, a method to improve the ligament stiffness definition for a computational foot/ankle model was sought with the greater goal of improving the predictive ability of the computational model. Specifically, the stiffness values were optimized using artificial neural networks (ANNs); both feedforward and radial basis function networks (RBFNs) were considered. Optimal networks of each type were determined and subsequently used to predict stiffnesses for the foot/ankle model. Ultimately, the predicted stiffnesses were considered reasonable and resulted in enhanced performance of the computational model, suggesting that artificial neural networks can be used to optimize stiffness inputs.

Continuum and discrete approach in modeling biofilm development and structure: a review.

PubMed

Mattei, M R; Frunzo, L; D'Acunto, B; Pechaud, Y; Pirozzi, F; Esposito, G

2018-03-01

The scientific community has recognized that almost 99% of the microbial life on earth is represented by biofilms. Considering the impacts of their sessile lifestyle on both natural and human activities, extensive experimental activity has been carried out to understand how biofilms grow and interact with the environment. Many mathematical models have also been developed to simulate and elucidate the main processes characterizing the biofilm growth. Two main mathematical approaches for biomass representation can be distinguished: continuum and discrete. This review is aimed at exploring the main characteristics of each approach. Continuum models can simulate the biofilm processes in a quantitative and deterministic way. However, they require a multidimensional formulation to take into account the biofilm spatial heterogeneity, which makes the models quite complicated, requiring significant computational effort. Discrete models are more recent and can represent the typical multidimensional structural heterogeneity of biofilm reflecting the experimental expectations, but they generate computational results including elements of randomness and introduce stochastic effects into the solutions.

A multi-resolution approach to electromagnetic modeling.

NASA Astrophysics Data System (ADS)

Cherevatova, M.; Egbert, G. D.; Smirnov, M. Yu

2018-04-01

We present a multi-resolution approach for three-dimensional magnetotelluric forward modeling. Our approach is motivated by the fact that fine grid resolution is typically required at shallow levels to adequately represent near surface inhomogeneities, topography, and bathymetry, while a much coarser grid may be adequate at depth where the diffusively propagating electromagnetic fields are much smoother. This is especially true for forward modeling required in regularized inversion, where conductivity variations at depth are generally very smooth. With a conventional structured finite-difference grid the fine discretization required to adequately represent rapid variations near the surface are continued to all depths, resulting in higher computational costs. Increasing the computational efficiency of the forward modeling is especially important for solving regularized inversion problems. We implement a multi-resolution finite-difference scheme that allows us to decrease the horizontal grid resolution with depth, as is done with vertical discretization. In our implementation, the multi-resolution grid is represented as a vertical stack of sub-grids, with each sub-grid being a standard Cartesian tensor product staggered grid. Thus, our approach is similar to the octree discretization previously used for electromagnetic modeling, but simpler in that we allow refinement only with depth. The major difficulty arose in deriving the forward modeling operators on interfaces between adjacent sub-grids. We considered three ways of handling the interface layers and suggest a preferable one, which results in similar accuracy as the staggered grid solution, while retaining the symmetry of coefficient matrix. A comparison between multi-resolution and staggered solvers for various models show that multi-resolution approach improves on computational efficiency without compromising the accuracy of the solution.

An experimental and theoretical investigation of deposition patterns from an agricultural airplane

NASA Technical Reports Server (NTRS)

Morris, D. J.; Croom, C. C.; Vandam, C. P.; Holmes, B. J.

1984-01-01

A flight test program has been conducted with a representative agricultural airplane to provide data for validating a computer program model which predicts aerially applied particle deposition. Test procedures and the data from this test are presented and discussed. The computer program features are summarized, and comparisons of predicted and measured particle deposition are presented. Applications of the computer program for spray pattern improvement are illustrated.

Computer design of porous active materials at different dimensional scales

NASA Astrophysics Data System (ADS)

Nasedkin, Andrey

2017-12-01

The paper presents a mathematical and computer modeling of effective properties of porous piezoelectric materials of three types: with ordinary porosity, with metallized pore surfaces, and with nanoscale porosity structure. The described integrated approach includes the effective moduli method of composite mechanics, simulation of representative volumes, and finite element method.

User's guide to the SEPHIS computer code for calculating the Thorex solvent extraction system

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

Watson, S.B.; Rainey, R.H.

1979-05-01

The SEPHIS computer program was developed to simulate the countercurrent solvent extraction process. The code has now been adapted to model the Acid Thorex flow sheet. This report represents a practical user's guide to SEPHIS - Thorex containing a program description, user information, program listing, and sample input and output.

Computational Exploration of a Protein Receptor Binding Space with Student Proposed Peptide Ligands

ERIC Educational Resources Information Center

King, Matthew D.; Phillips, Paul; Turner, Matthew W.; Katz, Michael; Lew, Sarah; Bradburn, Sarah; Andersen, Tim; McDougal, Owen M.

2016-01-01

Computational molecular docking is a fast and effective "in silico" method for the analysis of binding between a protein receptor model and a ligand. The visualization and manipulation of protein to ligand binding in three-dimensional space represents a powerful tool in the biochemistry curriculum to enhance student learning. The…

Automated Analysis of Short Responses in an Interactive Synthetic Tutoring System for Introductory Physics

ERIC Educational Resources Information Center

Nakamura, Christopher M.; Murphy, Sytil K.; Christel, Michael G.; Stevens, Scott M.; Zollman, Dean A.

2016-01-01

Computer-automated assessment of students' text responses to short-answer questions represents an important enabling technology for online learning environments. We have investigated the use of machine learning to train computer models capable of automatically classifying short-answer responses and assessed the results. Our investigations are part…

Rosen's (M,R) system in process algebra.

PubMed

Gatherer, Derek; Galpin, Vashti

2013-11-17

Robert Rosen's Metabolism-Replacement, or (M,R), system can be represented as a compact network structure with a single source and three products derived from that source in three consecutive reactions. (M,R) has been claimed to be non-reducible to its components and algorithmically non-computable, in the sense of not being evaluable as a function by a Turing machine. If (M,R)-like structures are present in real biological networks, this suggests that many biological networks will be non-computable, with implications for those branches of systems biology that rely on in silico modelling for predictive purposes. We instantiate (M,R) using the process algebra Bio-PEPA, and discuss the extent to which our model represents a true realization of (M,R). We observe that under some starting conditions and parameter values, stable states can be achieved. Although formal demonstration of algorithmic computability remains elusive for (M,R), we discuss the extent to which our Bio-PEPA representation of (M,R) allows us to sidestep Rosen's fundamental objections to computational systems biology. We argue that the behaviour of (M,R) in Bio-PEPA shows life-like properties.

Uncertainty Modeling of Pollutant Transport in Atmosphere and Aquatic Route Using Soft Computing

NASA Astrophysics Data System (ADS)

Datta, D.

2010-10-01

Hazardous radionuclides are released as pollutants in the atmospheric and aquatic environment (ATAQE) during the normal operation of nuclear power plants. Atmospheric and aquatic dispersion models are routinely used to assess the impact of release of radionuclide from any nuclear facility or hazardous chemicals from any chemical plant on the ATAQE. Effect of the exposure from the hazardous nuclides or chemicals is measured in terms of risk. Uncertainty modeling is an integral part of the risk assessment. The paper focuses the uncertainty modeling of the pollutant transport in atmospheric and aquatic environment using soft computing. Soft computing is addressed due to the lack of information on the parameters that represent the corresponding models. Soft-computing in this domain basically addresses the usage of fuzzy set theory to explore the uncertainty of the model parameters and such type of uncertainty is called as epistemic uncertainty. Each uncertain input parameters of the model is described by a triangular membership function.

Unsilencing Critical Conversations in Social-Studies Teacher Education Using Agent-Based Modeling

ERIC Educational Resources Information Center

Hostetler, Andrew; Sengupta, Pratim; Hollett, Ty

2018-01-01

In this article, we argue that when complex sociopolitical issues such as ethnocentrism and racial segregation are represented as complex, emergent systems using agent-based computational models (in short agent-based models or ABMs), discourse about these representations can disrupt social studies teacher candidates' dispositions of teaching…

Computational Systems Biology

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

McDermott, Jason E.; Samudrala, Ram; Bumgarner, Roger E.

2009-05-01

Computational systems biology is the term that we use to describe computational methods to identify, infer, model, and store relationships between the molecules, pathways, and cells (“systems”) involved in a living organism. Based on this definition, the field of computational systems biology has been in existence for some time. However, the recent confluence of high throughput methodology for biological data gathering, genome-scale sequencing and computational processing power has driven a reinvention and expansion of this field. The expansions include not only modeling of small metabolic{Ishii, 2004 #1129; Ekins, 2006 #1601; Lafaye, 2005 #1744} and signaling systems{Stevenson-Paulik, 2006 #1742; Lafaye, 2005more » #1744} but also modeling of the relationships between biological components in very large systems, incluyding whole cells and organisms {Ideker, 2001 #1124; Pe'er, 2001 #1172; Pilpel, 2001 #393; Ideker, 2002 #327; Kelley, 2003 #1117; Shannon, 2003 #1116; Ideker, 2004 #1111}{Schadt, 2003 #475; Schadt, 2006 #1661}{McDermott, 2002 #878; McDermott, 2005 #1271}. Generally these models provide a general overview of one or more aspects of these systems and leave the determination of details to experimentalists focused on smaller subsystems. The promise of such approaches is that they will elucidate patterns, relationships and general features that are not evident from examining specific components or subsystems. These predictions are either interesting in and of themselves (for example, the identification of an evolutionary pattern), or are interesting and valuable to researchers working on a particular problem (for example highlight a previously unknown functional pathway). Two events have occurred to bring about the field computational systems biology to the forefront. One is the advent of high throughput methods that have generated large amounts of information about particular systems in the form of genetic studies, gene expression analyses (both protein and mRNA) and metabolomics. With such tools, research to consider systems as a whole are being conceived, planned and implemented experimentally on an ever more frequent and wider scale. The other is the growth of computational processing power and tools. Methods to analyze large data sets of this kind are often computationally demanding and, as is the case in other areas, the field has benefited from continuing improvements in computational hardware and methods. The field of computational biology is very much like a telescope with two sequential lenses: one lens represents the biological data and the other represents a computational and/or mathematical model of the data. Both lenses must be properly coordinated to yield an image that reflects biological reality. This means that the design parameters for both lenses must be designed in concert to create a system that yields a model of the organism that provides both predictive and mechanistic information. The chapters in this book describe the construction of subcomponents of such a system. Computational systems biology is a rapidly evolving field and no single group of investigators has yet developed a compete system that integrates both data generation and data analysis in such a way so as to allow full and accurate modeling of any single biological organism. However, the field is rapidly moving in that direction. The chapters in this book represent a snapshot of the current methods being developed and used in the area of computational systems biology. Each method or database described within represents one or more steps on the path to a complete description of a biological system. How these tools will evolve and ultimately be integrated is an area of intense research and interest. We hope that readers of this book will be motivated by the chapters within and become involved in this exciting area of research.« less

Megamap: flexible representation of a large space embedded with nonspatial information by a hippocampal attractor network

PubMed Central

Zhang, Kechen

2016-01-01

The problem of how the hippocampus encodes both spatial and nonspatial information at the cellular network level remains largely unresolved. Spatial memory is widely modeled through the theoretical framework of attractor networks, but standard computational models can only represent spaces that are much smaller than the natural habitat of an animal. We propose that hippocampal networks are built on a basic unit called a “megamap,” or a cognitive attractor map in which place cells are flexibly recombined to represent a large space. Its inherent flexibility gives the megamap a huge representational capacity and enables the hippocampus to simultaneously represent multiple learned memories and naturally carry nonspatial information at no additional cost. On the other hand, the megamap is dynamically stable, because the underlying network of place cells robustly encodes any location in a large environment given a weak or incomplete input signal from the upstream entorhinal cortex. Our results suggest a general computational strategy by which a hippocampal network enjoys the stability of attractor dynamics without sacrificing the flexibility needed to represent a complex, changing world. PMID:27193320

Mathematical model for Dengue with three states of infection

NASA Astrophysics Data System (ADS)

Hincapie, Doracelly; Ospina, Juan

2012-06-01

A mathematical model for dengue with three states of infection is proposed and analyzed. The model consists in a system of differential equations. The three states of infection are respectively asymptomatic, partially asymptomatic and fully asymptomatic. The model is analyzed using computer algebra software, specifically Maple, and the corresponding basic reproductive number and the epidemic threshold are computed. The resulting basic reproductive number is an algebraic synthesis of all epidemic parameters and it makes clear the possible control measures. The microscopic structure of the epidemic parameters is established using the quantum theory of the interactions between the atoms and radiation. In such approximation, the human individual is represented by an atom and the mosquitoes are represented by radiation. The force of infection from the mosquitoes to the humans is considered as the transition probability from the fundamental state of atom to excited states. The combination of computer algebra software and quantum theory provides a very complete formula for the basic reproductive number and the possible control measures tending to stop the propagation of the disease. It is claimed that such result may be important in military medicine and the proposed method can be applied to other vector-borne diseases.

Integration of Computational Geometry, Finite Element, and Multibody System Algorithms for the Development of New Computational Methodology for High-Fidelity Vehicle Systems Modeling and Simulation

DTIC Science & Technology

2013-04-11

vehicle dynamics. Unclassified Unclassified Unclassified UU 9 Dr. Paramsothy Jayakumar (586) 282-4896 Computational Dynamics Inc.   0    Name of...Technical Representative Dr. Paramsothy Jayakumar TARDEC Computational Dynamics Inc.   1    Project Summary This project aims at addressing and...applications. This literature review is being summarized and incorporated into the paper. The commentary provided by Dr. Jayakumar was addressed and

Addressing the translational dilemma: dynamic knowledge representation of inflammation using agent-based modeling.

PubMed

An, Gary; Christley, Scott

2012-01-01

Given the panoply of system-level diseases that result from disordered inflammation, such as sepsis, atherosclerosis, cancer, and autoimmune disorders, understanding and characterizing the inflammatory response is a key target of biomedical research. Untangling the complex behavioral configurations associated with a process as ubiquitous as inflammation represents a prototype of the translational dilemma: the ability to translate mechanistic knowledge into effective therapeutics. A critical failure point in the current research environment is a throughput bottleneck at the level of evaluating hypotheses of mechanistic causality; these hypotheses represent the key step toward the application of knowledge for therapy development and design. Addressing the translational dilemma will require utilizing the ever-increasing power of computers and computational modeling to increase the efficiency of the scientific method in the identification and evaluation of hypotheses of mechanistic causality. More specifically, development needs to focus on facilitating the ability of non-computer trained biomedical researchers to utilize and instantiate their knowledge in dynamic computational models. This is termed "dynamic knowledge representation." Agent-based modeling is an object-oriented, discrete-event, rule-based simulation method that is well suited for biomedical dynamic knowledge representation. Agent-based modeling has been used in the study of inflammation at multiple scales. The ability of agent-based modeling to encompass multiple scales of biological process as well as spatial considerations, coupled with an intuitive modeling paradigm, suggest that this modeling framework is well suited for addressing the translational dilemma. This review describes agent-based modeling, gives examples of its applications in the study of inflammation, and introduces a proposed general expansion of the use of modeling and simulation to augment the generation and evaluation of knowledge by the biomedical research community at large.

A Study of Complex Deep Learning Networks on High Performance, Neuromorphic, and Quantum Computers

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

Potok, Thomas E; Schuman, Catherine D; Young, Steven R

Current Deep Learning models use highly optimized convolutional neural networks (CNN) trained on large graphical processing units (GPU)-based computers with a fairly simple layered network topology, i.e., highly connected layers, without intra-layer connections. Complex topologies have been proposed, but are intractable to train on current systems. Building the topologies of the deep learning network requires hand tuning, and implementing the network in hardware is expensive in both cost and power. In this paper, we evaluate deep learning models using three different computing architectures to address these problems: quantum computing to train complex topologies, high performance computing (HPC) to automatically determinemore » network topology, and neuromorphic computing for a low-power hardware implementation. Due to input size limitations of current quantum computers we use the MNIST dataset for our evaluation. The results show the possibility of using the three architectures in tandem to explore complex deep learning networks that are untrainable using a von Neumann architecture. We show that a quantum computer can find high quality values of intra-layer connections and weights, while yielding a tractable time result as the complexity of the network increases; a high performance computer can find optimal layer-based topologies; and a neuromorphic computer can represent the complex topology and weights derived from the other architectures in low power memristive hardware. This represents a new capability that is not feasible with current von Neumann architecture. It potentially enables the ability to solve very complicated problems unsolvable with current computing technologies.« less

The Mechanics of Embodiment: A Dialog on Embodiment and Computational Modeling

PubMed Central

Pezzulo, Giovanni; Barsalou, Lawrence W.; Cangelosi, Angelo; Fischer, Martin H.; McRae, Ken; Spivey, Michael J.

2011-01-01

Embodied theories are increasingly challenging traditional views of cognition by arguing that conceptual representations that constitute our knowledge are grounded in sensory and motor experiences, and processed at this sensorimotor level, rather than being represented and processed abstractly in an amodal conceptual system. Given the established empirical foundation, and the relatively underspecified theories to date, many researchers are extremely interested in embodied cognition but are clamoring for more mechanistic implementations. What is needed at this stage is a push toward explicit computational models that implement sensorimotor grounding as intrinsic to cognitive processes. In this article, six authors from varying backgrounds and approaches address issues concerning the construction of embodied computational models, and illustrate what they view as the critical current and next steps toward mechanistic theories of embodiment. The first part has the form of a dialog between two fictional characters: Ernest, the “experimenter,” and Mary, the “computational modeler.” The dialog consists of an interactive sequence of questions, requests for clarification, challenges, and (tentative) answers, and touches the most important aspects of grounded theories that should inform computational modeling and, conversely, the impact that computational modeling could have on embodied theories. The second part of the article discusses the most important open challenges for embodied computational modeling. PMID:21713184

Computational Modeling of Ablation on an Irradiated Target

NASA Astrophysics Data System (ADS)

Mehmedagic, Igbal; Thangam, Siva

2017-11-01

Computational modeling of pulsed nanosecond laser interaction with an irradiated metallic target is presented. The model formulation involves ablation of the metallic target irradiated by pulsed high intensity laser at normal atmospheric conditions. Computational findings based on effective representation and prediction of the heat transfer, melting and vaporization of the targeting material as well as plume formation and expansion are presented along with its relevance for the development of protective shields. In this context, the available results for a representative irradiation from 1064 nm laser pulse is used to analyze various ablation mechanisms, variable thermo-physical and optical properties, plume expansion and surface geometry. Funded in part by U. S. Army ARDEC, Picatinny Arsenal, NJ.

High Fidelity Simulations for Unsteady Flow Through the Orbiter LH2 Feedline Flowliner

NASA Technical Reports Server (NTRS)

Kiris, Cetin C.; Kwak, Dochan; Chan, William; Housman, Jeffrey

2005-01-01

High fidelity computations were carried out to analyze the orbiter M2 feedline flowliner. Various computational models were used to characterize the unsteady flow features in the turbopump, including the orbiter Low-Pressure-Fuel-Turbopump (LPFTP) inducer, the orbiter manifold and a test article used to represent the manifold. Unsteady flow originating from the orbiter LPFTP inducer is one of the major contributors to the high frequency cyclic loading that results in high cycle fatigue damage to the gimbal flowliners just upstream of the LPFTP. The flow fields for the orbiter manifold and representative test article are computed and analyzed for similarities and differences. An incompressible Navier-Stokes flow solver INS3D, based on the artificial compressibility method, was used to compute the flow of liquid hydrogen in each test article.

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

Passive and active ventricular elastances of the left ventricle

PubMed Central

Zhong, Liang; Ghista, Dhanjoo N; Ng, Eddie YK; Lim, Soo T

2005-01-01

Background Description of the heart as a pump has been dominated by models based on elastance and compliance. Here, we are presenting a somewhat new concept of time-varying passive and active elastance. The mathematical basis of time-varying elastance of the ventricle is presented. We have defined elastance in terms of the relationship between ventricular pressure and volume, as: dP = EdV + VdE, where E includes passive (Ep) and active (Ea) elastance. By incorporating this concept in left ventricular (LV) models to simulate filling and systolic phases, we have obtained the time-varying expression for Ea and the LV-volume dependent expression for Ep. Methods and Results Using the patient's catheterization-ventriculogram data, the values of passive and active elastance are computed. Ea is expressed as: ; Epis represented as: . Ea is deemed to represent a measure of LV contractility. Hence, Peak dP/dt and ejection fraction (EF) are computed from the monitored data and used as the traditional measures of LV contractility. When our computed peak active elastance (Ea,max) is compared against these traditional indices by linear regression, a high degree of correlation is obtained. As regards Ep, it constitutes a volume-dependent stiffness property of the LV, and is deemed to represent resistance-to-filling. Conclusions Passive and active ventricular elastance formulae can be evaluated from a single-beat P-V data by means of a simple-to-apply LV model. The active elastance (Ea) can be used to characterize the ventricle's contractile state, while passive elastance (Ep) can represent a measure of resistance-to-filling. PMID:15707494

Computer-Aided Transformation of PDE Models: Languages, Representations, and a Calculus of Operations

DTIC Science & Technology

2016-01-05

discretizations . We maintain that what is clear at the mathematical level should be equally clear in computation. In this small STIR project, we separate the...concerns of describing and discretizing such models by defining an input language representing PDE, including steady-state and tran- sient, linear and...solvers, such as [8, 9], focused on the solvers themselves and particular families of discretizations (e. g. finite elements), and now it is natural to

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.

10 CFR 431.17 - Determination of efficiency.

Code of Federal Regulations, 2010 CFR

2010-01-01

... method or methods used; the mathematical model, the engineering or statistical analysis, computer... accordance with § 431.16 of this subpart, or by application of an alternative efficiency determination method... must be: (i) Derived from a mathematical model that represents the mechanical and electrical...

Statistical model of exotic rotational correlations in emergent space-time

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

Hogan, Craig; Kwon, Ohkyung; Richardson, Jonathan

2017-06-06

A statistical model is formulated to compute exotic rotational correlations that arise as inertial frames and causal structure emerge on large scales from entangled Planck scale quantum systems. Noncommutative quantum dynamics are represented by random transverse displacements that respect causal symmetry. Entanglement is represented by covariance of these displacements in Planck scale intervals defined by future null cones of events on an observer's world line. Light that propagates in a nonradial direction inherits a projected component of the exotic rotational correlation that accumulates as a random walk in phase. A calculation of the projection and accumulation leads to exact predictionsmore » for statistical properties of exotic Planck scale correlations in an interferometer of any configuration. The cross-covariance for two nearly co-located interferometers is shown to depart only slightly from the autocovariance. Specific examples are computed for configurations that approximate realistic experiments, and show that the model can be rigorously tested.« less

NASA geometry data exchange specification for computational fluid dynamics (NASA IGES)

NASA Technical Reports Server (NTRS)

Blake, Matthew W.; Kerr, Patricia A.; Thorp, Scott A.; Jou, Jin J.

1994-01-01

This document specifies a subset of an existing product data exchange specification that is widely used in industry and government. The existing document is called the Initial Graphics Exchange Specification. This document, a subset of IGES, is intended for engineers analyzing product performance using tools such as computational fluid dynamics (CFD) software. This document specifies how to define mathematically and exchange the geometric model of an object. The geometry is represented utilizing nonuniform rational B-splines (NURBS) curves and surfaces. Only surface models are represented; no solid model representation is included. This specification does not include most of the other types of product information available in IGES (e.g., no material properties or surface finish properties) and does not provide all the specific file format details of IGES. The data exchange protocol specified in this document is fully conforming to the American National Standard (ANSI) IGES 5.2.

Guidelines and Procedures for Computing Time-Series Suspended-Sediment Concentrations and Loads from In-Stream Turbidity-Sensor and Streamflow Data

USGS Publications Warehouse

Rasmussen, Patrick P.; Gray, John R.; Glysson, G. Douglas; Ziegler, Andrew C.

2009-01-01

In-stream continuous turbidity and streamflow data, calibrated with measured suspended-sediment concentration data, can be used to compute a time series of suspended-sediment concentration and load at a stream site. Development of a simple linear (ordinary least squares) regression model for computing suspended-sediment concentrations from instantaneous turbidity data is the first step in the computation process. If the model standard percentage error (MSPE) of the simple linear regression model meets a minimum criterion, this model should be used to compute a time series of suspended-sediment concentrations. Otherwise, a multiple linear regression model using paired instantaneous turbidity and streamflow data is developed and compared to the simple regression model. If the inclusion of the streamflow variable proves to be statistically significant and the uncertainty associated with the multiple regression model results in an improvement over that for the simple linear model, the turbidity-streamflow multiple linear regression model should be used to compute a suspended-sediment concentration time series. The computed concentration time series is subsequently used with its paired streamflow time series to compute suspended-sediment loads by standard U.S. Geological Survey techniques. Once an acceptable regression model is developed, it can be used to compute suspended-sediment concentration beyond the period of record used in model development with proper ongoing collection and analysis of calibration samples. Regression models to compute suspended-sediment concentrations are generally site specific and should never be considered static, but they represent a set period in a continually dynamic system in which additional data will help verify any change in sediment load, type, and source.

Mind the Gap! A Journey towards Computational Toxicology.

PubMed

Mangiatordi, Giuseppe Felice; Alberga, Domenico; Altomare, Cosimo Damiano; Carotti, Angelo; Catto, Marco; Cellamare, Saverio; Gadaleta, Domenico; Lattanzi, Gianluca; Leonetti, Francesco; Pisani, Leonardo; Stefanachi, Angela; Trisciuzzi, Daniela; Nicolotti, Orazio

2016-09-01

Computational methods have advanced toxicology towards the development of target-specific models based on a clear cause-effect rationale. However, the predictive potential of these models presents strengths and weaknesses. On the good side, in silico models are valuable cheap alternatives to in vitro and in vivo experiments. On the other, the unconscious use of in silico methods can mislead end-users with elusive results. The focus of this review is on the basic scientific and regulatory recommendations in the derivation and application of computational models. Attention is paid to examine the interplay between computational toxicology and drug discovery and development. Avoiding the easy temptation of an overoptimistic future, we report our view on what can, or cannot, realistically be done. Indeed, studies of safety/toxicity represent a key element of chemical prioritization programs carried out by chemical industries, and primarily by pharmaceutical companies. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Generative models for clinical applications in computational psychiatry.

PubMed

Frässle, Stefan; Yao, Yu; Schöbi, Dario; Aponte, Eduardo A; Heinzle, Jakob; Stephan, Klaas E

2018-05-01

Despite the success of modern neuroimaging techniques in furthering our understanding of cognitive and pathophysiological processes, translation of these advances into clinically relevant tools has been virtually absent until now. Neuromodeling represents a powerful framework for overcoming this translational deadlock, and the development of computational models to solve clinical problems has become a major scientific goal over the last decade, as reflected by the emergence of clinically oriented neuromodeling fields like Computational Psychiatry, Computational Neurology, and Computational Psychosomatics. Generative models of brain physiology and connectivity in the human brain play a key role in this endeavor, striving for computational assays that can be applied to neuroimaging data from individual patients for differential diagnosis and treatment prediction. In this review, we focus on dynamic causal modeling (DCM) and its use for Computational Psychiatry. DCM is a widely used generative modeling framework for functional magnetic resonance imaging (fMRI) and magneto-/electroencephalography (M/EEG) data. This article reviews the basic concepts of DCM, revisits examples where it has proven valuable for addressing clinically relevant questions, and critically discusses methodological challenges and recent methodological advances. We conclude this review with a more general discussion of the promises and pitfalls of generative models in Computational Psychiatry and highlight the path that lies ahead of us. This article is categorized under: Neuroscience > Computation Neuroscience > Clinical Neuroscience. © 2018 Wiley Periodicals, Inc.

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.

Representational geometry: integrating cognition, computation, and the brain

PubMed Central

Kriegeskorte, Nikolaus; Kievit, Rogier A.

2013-01-01

The cognitive concept of representation plays a key role in theories of brain information processing. However, linking neuronal activity to representational content and cognitive theory remains challenging. Recent studies have characterized the representational geometry of neural population codes by means of representational distance matrices, enabling researchers to compare representations across stages of processing and to test cognitive and computational theories. Representational geometry provides a useful intermediate level of description, capturing both the information represented in a neuronal population code and the format in which it is represented. We review recent insights gained with this approach in perception, memory, cognition, and action. Analyses of representational geometry can compare representations between models and the brain, and promise to explain brain computation as transformation of representational similarity structure. PMID:23876494

Failure of the Porcine Ascending Aorta: Multidirectional Experiments and a Unifying Microstructural Model

PubMed Central

Witzenburg, Colleen M.; Dhume, Rohit Y.; Shah, Sachin B.; Korenczuk, Christopher E.; Wagner, Hallie P.; Alford, Patrick W.; Barocas, Victor H.

2017-01-01

The ascending thoracic aorta is poorly understood mechanically, especially its risk of dissection. To make better predictions of dissection risk, more information about the multidimensional failure behavior of the tissue is needed, and this information must be incorporated into an appropriate theoretical/computational model. Toward the creation of such a model, uniaxial, equibiaxial, peel, and shear lap tests were performed on healthy porcine ascending aorta samples. Uniaxial and equibiaxial tests showed anisotropy with greater stiffness and strength in the circumferential direction. Shear lap tests showed catastrophic failure at shear stresses (150–200 kPa) much lower than uniaxial tests (750–2500 kPa), consistent with the low peel tension (∼60 mN/mm). A novel multiscale computational model, including both prefailure and failure mechanics of the aorta, was developed. The microstructural part of the model included contributions from a collagen-reinforced elastin sheet and interlamellar connections representing fibrillin and smooth muscle. Components were represented as nonlinear fibers that failed at a critical stretch. Multiscale simulations of the different experiments were performed, and the model, appropriately specified, agreed well with all experimental data, representing a uniquely complete structure-based description of aorta mechanics. In addition, our experiments and model demonstrate the very low strength of the aorta in radial shear, suggesting an important possible mechanism for aortic dissection. PMID:27893044

Aeroelastic Deflection of NURBS Geometry

NASA Technical Reports Server (NTRS)

Samareh, Jamshid A.

1998-01-01

The purpose of this paper is to present an algorithm for using NonUniform Rational B-Spline (NURBS) representation in an aeroelastic loop. The algorithm is based on creating a least-squares NURBS surface representing the aeroelastic defection. The resulting NURBS surfaces are used to update either the original Computer- Aided Design (CAD) model, Computational Structural Mechanics (CSM) grid or the Computational Fluid Dynamics (CFD) grid. Results are presented for a generic High-Speed Civil Transport (HSCT).

A Comparison of Alternative Approaches to the Analysis of Interrupted Time-Series.

ERIC Educational Resources Information Center

Harrop, John W.; Velicer, Wayne F.

1985-01-01

Computer generated data representative of 16 Auto Regressive Integrated Moving Averages (ARIMA) models were used to compare the results of interrupted time-series analysis using: (1) the known model identification, (2) an assumed (l,0,0) model, and (3) an assumed (3,0,0) model as an approximation to the General Transformation approach. (Author/BW)

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.

Digital quantum simulators in a scalable architecture of hybrid spin-photon qubits

PubMed Central

Chiesa, Alessandro; Santini, Paolo; Gerace, Dario; Raftery, James; Houck, Andrew A.; Carretta, Stefano

2015-01-01

Resolving quantum many-body problems represents one of the greatest challenges in physics and physical chemistry, due to the prohibitively large computational resources that would be required by using classical computers. A solution has been foreseen by directly simulating the time evolution through sequences of quantum gates applied to arrays of qubits, i.e. by implementing a digital quantum simulator. Superconducting circuits and resonators are emerging as an extremely promising platform for quantum computation architectures, but a digital quantum simulator proposal that is straightforwardly scalable, universal, and realizable with state-of-the-art technology is presently lacking. Here we propose a viable scheme to implement a universal quantum simulator with hybrid spin-photon qubits in an array of superconducting resonators, which is intrinsically scalable and allows for local control. As representative examples we consider the transverse-field Ising model, a spin-1 Hamiltonian, and the two-dimensional Hubbard model and we numerically simulate the scheme by including the main sources of decoherence. PMID:26563516

A quantum theoretical approach to information processing in neural networks

NASA Astrophysics Data System (ADS)

Barahona da Fonseca, José; Barahona da Fonseca, Isabel; Suarez Araujo, Carmen Paz; Simões da Fonseca, José

2000-05-01

A reinterpretation of experimental data on learning was used to formulate a law on data acquisition similar to the Hamiltonian of a mechanical system. A matrix of costs in decision making specifies values attributable to a barrier that opposed to hypothesis formation about decision making. The interpretation of the encoding costs as frequencies of oscillatory phenomena leads to a quantum paradigm based in the models of photoelectric effect as well as of a particle against a potential barrier. Cognitive processes are envisaged as complex phenomena represented by structures linked by valence bounds. This metaphor is used to find some prerequisites to certain types of conscious experience as well as to find an explanation for some pathological distortions of cognitive operations as they are represented in the context of the isolobal model. Those quantum phenomena are understood as representing an analogue programming for specific special purpose computations. The formation of complex chemical structures within the context of isolobal theory is understood as an analog quantum paradigm for complex cognitive computations.

Generation of intervention strategy for a genetic regulatory network represented by a family of Markov Chains.

PubMed

Berlow, Noah; Pal, Ranadip

2011-01-01

Genetic Regulatory Networks (GRNs) are frequently modeled as Markov Chains providing the transition probabilities of moving from one state of the network to another. The inverse problem of inference of the Markov Chain from noisy and limited experimental data is an ill posed problem and often generates multiple model possibilities instead of a unique one. In this article, we address the issue of intervention in a genetic regulatory network represented by a family of Markov Chains. The purpose of intervention is to alter the steady state probability distribution of the GRN as the steady states are considered to be representative of the phenotypes. We consider robust stationary control policies with best expected behavior. The extreme computational complexity involved in search of robust stationary control policies is mitigated by using a sequential approach to control policy generation and utilizing computationally efficient techniques for updating the stationary probability distribution of a Markov chain following a rank one perturbation.

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.

Influence of computational domain size on the pattern formation of the phase field crystals

NASA Astrophysics Data System (ADS)

Starodumov, Ilya; Galenko, Peter; Alexandrov, Dmitri; Kropotin, Nikolai

2017-04-01

Modeling of crystallization process by the phase field crystal method (PFC) represents one of the important directions of modern computational materials science. This method makes it possible to research the formation of stable or metastable crystal structures. In this paper, we study the effect of computational domain size on the crystal pattern formation obtained as a result of computer simulation by the PFC method. In the current report, we show that if the size of a computational domain is changed, the result of modeling may be a structure in metastable phase instead of pure stable state. The authors present a possible theoretical justification for the observed effect and provide explanations on the possible modification of the PFC method to account for this phenomenon.

Prospects for improving the representation of coastal and shelf seas in global ocean models

NASA Astrophysics Data System (ADS)

Holt, Jason; Hyder, Patrick; Ashworth, Mike; Harle, James; Hewitt, Helene T.; Liu, Hedong; New, Adrian L.; Pickles, Stephen; Porter, Andrew; Popova, Ekaterina; Icarus Allen, J.; Siddorn, John; Wood, Richard

2017-02-01

Accurately representing coastal and shelf seas in global ocean models represents one of the grand challenges of Earth system science. They are regions of immense societal importance through the goods and services they provide, hazards they pose and their role in global-scale processes and cycles, e.g. carbon fluxes and dense water formation. However, they are poorly represented in the current generation of global ocean models. In this contribution, we aim to briefly characterise the problem, and then to identify the important physical processes, and their scales, needed to address this issue in the context of the options available to resolve these scales globally and the evolving computational landscape.We find barotropic and topographic scales are well resolved by the current state-of-the-art model resolutions, e.g. nominal 1/12°, and still reasonably well resolved at 1/4°; here, the focus is on process representation. We identify tides, vertical coordinates, river inflows and mixing schemes as four areas where modelling approaches can readily be transferred from regional to global modelling with substantial benefit. In terms of finer-scale processes, we find that a 1/12° global model resolves the first baroclinic Rossby radius for only ˜ 8 % of regions < 500 m deep, but this increases to ˜ 70 % for a 1/72° model, so resolving scales globally requires substantially finer resolution than the current state of the art.We quantify the benefit of improved resolution and process representation using 1/12° global- and basin-scale northern North Atlantic nucleus for a European model of the ocean (NEMO) simulations; the latter includes tides and a k-ɛ vertical mixing scheme. These are compared with global stratification observations and 19 models from CMIP5. In terms of correlation and basin-wide rms error, the high-resolution models outperform all these CMIP5 models. The model with tides shows improved seasonal cycles compared to the high-resolution model without tides. The benefits of resolution are particularly apparent in eastern boundary upwelling zones.To explore the balance between the size of a globally refined model and that of multiscale modelling options (e.g. finite element, finite volume or a two-way nesting approach), we consider a simple scale analysis and a conceptual grid refining approach. We put this analysis in the context of evolving computer systems, discussing model turnaround time, scalability and resource costs. Using a simple cost model compared to a reference configuration (taken to be a 1/4° global model in 2011) and the increasing performance of the UK Research Councils' computer facility, we estimate an unstructured mesh multiscale approach, resolving process scales down to 1.5 km, would use a comparable share of the computer resource by 2021, the two-way nested multiscale approach by 2022, and a 1/72° global model by 2026. However, we also note that a 1/12° global model would not have a comparable computational cost to a 1° global model in 2017 until 2027. Hence, we conclude that for computationally expensive models (e.g. for oceanographic research or operational oceanography), resolving scales to ˜ 1.5 km would be routinely practical in about a decade given substantial effort on numerical and computational development. For complex Earth system models, this extends to about 2 decades, suggesting the focus here needs to be on improved process parameterisation to meet these challenges.

Rapid, high-resolution measurement of leaf area and leaf orientation using terrestrial LiDAR scanning data

USDA-ARS?s Scientific Manuscript database

The rapid evolution of high performance computing technology has allowed for the development of extremely detailed models of the urban and natural environment. Although models can now represent sub-meter-scale variability in environmental geometry, model users are often unable to specify the geometr...

10 CFR 431.445 - Determination of small electric motor efficiency.

Code of Federal Regulations, 2010 CFR

2010-01-01

... determined either by testing in accordance with § 431.444 of this subpart, or by application of an... method. An AEDM applied to a basic model must be: (i) Derived from a mathematical model that represents... statistical analysis, computer simulation or modeling, or other analytic evaluation of performance data. (3...

Methods and computer executable instructions for rapidly calculating simulated particle transport through geometrically modeled treatment volumes having uniform volume elements for use in radiotherapy

DOEpatents

Frandsen, Michael W.; Wessol, Daniel E.; Wheeler, Floyd J.

2001-01-16

Methods and computer executable instructions are disclosed for ultimately developing a dosimetry plan for a treatment volume targeted for irradiation during cancer therapy. The dosimetry plan is available in "real-time" which especially enhances clinical use for in vivo applications. The real-time is achieved because of the novel geometric model constructed for the planned treatment volume which, in turn, allows for rapid calculations to be performed for simulated movements of particles along particle tracks there through. The particles are exemplary representations of neutrons emanating from a neutron source during BNCT. In a preferred embodiment, a medical image having a plurality of pixels of information representative of a treatment volume is obtained. The pixels are: (i) converted into a plurality of substantially uniform volume elements having substantially the same shape and volume of the pixels; and (ii) arranged into a geometric model of the treatment volume. An anatomical material associated with each uniform volume element is defined and stored. Thereafter, a movement of a particle along a particle track is defined through the geometric model along a primary direction of movement that begins in a starting element of the uniform volume elements and traverses to a next element of the uniform volume elements. The particle movement along the particle track is effectuated in integer based increments along the primary direction of movement until a position of intersection occurs that represents a condition where the anatomical material of the next element is substantially different from the anatomical material of the starting element. This position of intersection is then useful for indicating whether a neutron has been captured, scattered or exited from the geometric model. From this intersection, a distribution of radiation doses can be computed for use in the cancer therapy. The foregoing represents an advance in computational times by multiple factors of time magnitudes.

Automated Performance Prediction of Message-Passing Parallel Programs

NASA Technical Reports Server (NTRS)

Block, Robert J.; Sarukkai, Sekhar; Mehra, Pankaj; Woodrow, Thomas S. (Technical Monitor)

1995-01-01

The increasing use of massively parallel supercomputers to solve large-scale scientific problems has generated a need for tools that can predict scalability trends of applications written for these machines. Much work has been done to create simple models that represent important characteristics of parallel programs, such as latency, network contention, and communication volume. But many of these methods still require substantial manual effort to represent an application in the model's format. The NIK toolkit described in this paper is the result of an on-going effort to automate the formation of analytic expressions of program execution time, with a minimum of programmer assistance. In this paper we demonstrate the feasibility of our approach, by extending previous work to detect and model communication patterns automatically, with and without overlapped computations. The predictions derived from these models agree, within reasonable limits, with execution times of programs measured on the Intel iPSC/860 and Paragon. Further, we demonstrate the use of MK in selecting optimal computational grain size and studying various scalability metrics.

Computing induced velocity perturbations due to a helicopter fuselage in a free stream

NASA Technical Reports Server (NTRS)

Berry, John D.; Althoff, Susan L.

1989-01-01

The velocity field of a representative helicopter fuselage in a free stream is computed. Perturbation velocities due to the fuselage are computed in a plan above the location of the helicopter rotor (rotor removed). The velocity perturbations computed by a source-panel model of the fuselage are compared with experimental measurements taken with a laser velocimeter. Three paneled fuselage models are studied: fuselage shape, fuselage shape with hub shape, and a body of revolution. The velocity perturbations computed for both fuselage shape models agree well with the measured velocity field except in the close vicinity of the rotor hub. In the hub region, without knowing the extent of separation, modeling of the effective source shape is difficult. The effects of the fuselage perturbations are not well-predicted with a simplified ellipsoid fuselage. The velocity perturbations due to the fuselage at the plane of the measurements have magnitudes of less than 8 percent of free-stream velocity. The velocity perturbations computed by the panel method are tabulated for the same locations at which previously reported rotor-inflow velocity measurements were made.

Ultra-Scale Computing for Emergency Evacuation

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

Bhaduri, Budhendra L; Nutaro, James J; Liu, Cheng

2010-01-01

Emergency evacuations are carried out in anticipation of a disaster such as hurricane landfall or flooding, and in response to a disaster that strikes without a warning. Existing emergency evacuation modeling and simulation tools are primarily designed for evacuation planning and are of limited value in operational support for real time evacuation management. In order to align with desktop computing, these models reduce the data and computational complexities through simple approximations and representations of real network conditions and traffic behaviors, which rarely represent real-world scenarios. With the emergence of high resolution physiographic, demographic, and socioeconomic data and supercomputing platforms, itmore » is possible to develop micro-simulation based emergency evacuation models that can foster development of novel algorithms for human behavior and traffic assignments, and can simulate evacuation of millions of people over a large geographic area. However, such advances in evacuation modeling and simulations demand computational capacity beyond the desktop scales and can be supported by high performance computing platforms. This paper explores the motivation and feasibility of ultra-scale computing for increasing the speed of high resolution emergency evacuation simulations.« less

Modeling the Soft Geometry of Biological Membranes

NASA Astrophysics Data System (ADS)

Daly, K.

This dissertation presents work done applying the techniques of physics to biological systems. The difference in length scales of the thickness of the phospolipid bilayer and overall size of a biological cell allows bilayer to be modeled elastically as a thin sheet. The Helfrich free energy is extended applied to models representing various biological systems, in order to find quasi-equilibrium states as well as transitions between states. Morphologies are approximated as axially sym-metric. Stable morphologies are de-termined analytically and through the use of computer simulation. The simple morphologies examined analytically give a model for the pearling transition seen in growing biological cells. An analytic model of celluar bulging in gram-negative bacteria predicts a critical pore radius for bulging of 20 nanometers. This model is extended to the membrane dynamics of human red blood cells, predicting three morphologic phases which are seen in vivo. A computer simulation was developed to study more complex morphologies with models representing different bilayer compositions. Single and multi-component bilayer models reproduce morphologies previously predicted by Seifert. A mean field model representing the intrinsic curvature of proteins coupling to membrane curvature is used to explore the stability of the particular morphology of rod outer segment cells. The process of pore formation and expansion in cell-cell fusion is not well understood. Simulation of the pore created in cell-cell fusion led to the finding of a minimal pore radius required for pore expansion, suggesting pores formed in nature are formed with a minimum size.

Computer tomography of flows external to test models

NASA Technical Reports Server (NTRS)

Prikryl, I.; Vest, C. M.

1982-01-01

Computer tomographic techniques for reconstruction of three-dimensional aerodynamic density fields, from interferograms recorded from several different viewing directions were studied. Emphasis is on the case in which an opaque object such as a test model in a wind tunnel obscures significant regions of the interferograms (projection data). A method called the Iterative Convolution Method (ICM), existing methods in which the field is represented by a series expansions, and analysis of real experimental data in the form of aerodynamic interferograms are discussed.

Stochastic model simulation using Kronecker product analysis and Zassenhaus formula approximation.

PubMed

Caglar, Mehmet Umut; Pal, Ranadip

2013-01-01

Probabilistic Models are regularly applied in Genetic Regulatory Network modeling to capture the stochastic behavior observed in the generation of biological entities such as mRNA or proteins. Several approaches including Stochastic Master Equations and Probabilistic Boolean Networks have been proposed to model the stochastic behavior in genetic regulatory networks. It is generally accepted that Stochastic Master Equation is a fundamental model that can describe the system being investigated in fine detail, but the application of this model is computationally enormously expensive. On the other hand, Probabilistic Boolean Network captures only the coarse-scale stochastic properties of the system without modeling the detailed interactions. We propose a new approximation of the stochastic master equation model that is able to capture the finer details of the modeled system including bistabilities and oscillatory behavior, and yet has a significantly lower computational complexity. In this new method, we represent the system using tensors and derive an identity to exploit the sparse connectivity of regulatory targets for complexity reduction. The algorithm involves an approximation based on Zassenhaus formula to represent the exponential of a sum of matrices as product of matrices. We derive upper bounds on the expected error of the proposed model distribution as compared to the stochastic master equation model distribution. Simulation results of the application of the model to four different biological benchmark systems illustrate performance comparable to detailed stochastic master equation models but with considerably lower computational complexity. The results also demonstrate the reduced complexity of the new approach as compared to commonly used Stochastic Simulation Algorithm for equivalent accuracy.

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

Yang, Laurence; Yurkovich, James T.; Lloyd, Colton J.

Integrating omics data to refine or make context-specific models is an active field of constraint-based modeling. Proteomics now cover over 95% of the Escherichia coli proteome by mass. Genome-scale models of Metabolism and macromolecular Expression (ME) compute proteome allocation linked to metabolism and fitness. Using proteomics data, we formulated allocation constraints for key proteome sectors in the ME model. The resulting calibrated model effectively computed the “generalist” (wild-type) E. coli proteome and phenotype across diverse growth environments. Across 15 growth conditions, prediction errors for growth rate and metabolic fluxes were 69% and 14% lower, respectively. The sector-constrained ME model thusmore » represents a generalist ME model reflecting both growth rate maximization and “hedging” against uncertain environments and stresses, as indicated by significant enrichment of these sectors for the general stress response sigma factor σS. Finally, the sector constraints represent a general formalism for integrating omics data from any experimental condition into constraint-based ME models. The constraints can be fine-grained (individual proteins) or coarse-grained (functionally-related protein groups) as demonstrated here. Furthermore, this flexible formalism provides an accessible approach for narrowing the gap between the complexity captured by omics data and governing principles of proteome allocation described by systems-level models.« less

Mesoscopic modeling as a starting point for computational analyses of cystic fibrosis as a systemic disease.

PubMed

Voit, Eberhard O

2014-01-01

Probably the most prominent expectation associated with systems biology is the computational support of personalized medicine and predictive health. At least some of this anticipated support is envisioned in the form of disease simulators that will take hundreds of personalized biomarker data as input and allow the physician to explore and optimize possible treatment regimens on a computer before the best treatment is applied to the actual patient in a custom-tailored manner. The key prerequisites for such simulators are mathematical and computational models that not only manage the input data and implement the general physiological and pathological principles of organ systems but also integrate the myriads of details that affect their functionality to a significant degree. Obviously, the construction of such models is an overwhelming task that suggests the long-term development of hierarchical or telescopic approaches representing the physiology of organs and their diseases, first coarsely and over time with increased granularity. This article illustrates the rudiments of such a strategy in the context of cystic fibrosis (CF) of the lung. The starting point is a very simplistic, generic model of inflammation, which has been shown to capture the principles of infection, trauma, and sepsis surprisingly well. The adaptation of this model to CF contains as variables healthy and damaged cells, as well as different classes of interacting cytokines and infectious microbes that are affected by mucus formation, which is the hallmark symptom of the disease (Perez-Vilar and Boucher, 2004) [1]. The simple model represents the overall dynamics of the disease progression, including so-called acute pulmonary exacerbations, quite well, but of course does not provide much detail regarding the specific processes underlying the disease. In order to launch the next level of modeling with finer granularity, it is desirable to determine which components of the coarse model contribute most to the disease dynamics. The article introduces for this purpose the concept of module gains or ModGains, which quantify the sensitivity of key disease variables in the higher-level system. In reality, these variables represent complex modules at the next level of granularity, and the computation of ModGains therefore allows an importance ranking of variables that should be replaced with more detailed models. The "hot-swapping" of such detailed modules for former variables is greatly facilitated by the architecture and implementation of the overarching, coarse model structure, which is here formulated with methods of biochemical systems theory (BST). This article is part of a Special Issue entitled: Computational Proteomics, Systems Biology & Clinical Implications. Guest Editor: Yudong Cai. Copyright © 2013 Elsevier B.V. All rights reserved.

Finite-Length Line Source Superposition Model (FLLSSM)

NASA Astrophysics Data System (ADS)

1980-03-01

A linearized thermal conduction model was developed to economically determine media temperatures in geologic repositories for nuclear wastes. Individual canisters containing either high level waste or spent fuel assemblies were represented as finite length line sources in a continuous media. The combined effects of multiple canisters in a representative storage pattern were established at selected points of interest by superposition of the temperature rises calculated for each canister. The methodology is outlined and the computer code FLLSSM which performs required numerical integrations and superposition operations is described.

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.

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

The BioIntelligence Framework: a new computational platform for biomedical knowledge computing.

PubMed

Farley, Toni; Kiefer, Jeff; Lee, Preston; Von Hoff, Daniel; Trent, Jeffrey M; Colbourn, Charles; Mousses, Spyro

2013-01-01

Breakthroughs in molecular profiling technologies are enabling a new data-intensive approach to biomedical research, with the potential to revolutionize how we study, manage, and treat complex diseases. The next great challenge for clinical applications of these innovations will be to create scalable computational solutions for intelligently linking complex biomedical patient data to clinically actionable knowledge. Traditional database management systems (DBMS) are not well suited to representing complex syntactic and semantic relationships in unstructured biomedical information, introducing barriers to realizing such solutions. We propose a scalable computational framework for addressing this need, which leverages a hypergraph-based data model and query language that may be better suited for representing complex multi-lateral, multi-scalar, and multi-dimensional relationships. We also discuss how this framework can be used to create rapid learning knowledge base systems to intelligently capture and relate complex patient data to biomedical knowledge in order to automate the recovery of clinically actionable information.

Computational Modelling of Patella Femoral Kinematics During Gait Cycle and Experimental Validation

NASA Astrophysics Data System (ADS)

Maiti, Raman

2016-06-01

The effect of loading and boundary conditions on patellar mechanics is significant due to the complications arising in patella femoral joints during total knee replacements. To understand the patellar mechanics with respect to loading and motion, a computational model representing the patella femoral joint was developed and validated against experimental results. The computational model was created in IDEAS NX and simulated in MSC ADAMS/VIEW software. The results obtained in the form of internal external rotations and anterior posterior displacements for a new and experimentally simulated specimen for patella femoral joint under standard gait condition were compared with experimental measurements performed on the Leeds ProSim knee simulator. A good overall agreement between the computational prediction and the experimental data was obtained for patella femoral kinematics. Good agreement between the model and the past studies was observed when the ligament load was removed and the medial lateral displacement was constrained. The model is sensitive to ±5 % change in kinematics, frictional, force and stiffness coefficients and insensitive to time step.

Computational Modelling of Patella Femoral Kinematics During Gait Cycle and Experimental Validation

NASA Astrophysics Data System (ADS)

Maiti, Raman

2018-06-01

The effect of loading and boundary conditions on patellar mechanics is significant due to the complications arising in patella femoral joints during total knee replacements. To understand the patellar mechanics with respect to loading and motion, a computational model representing the patella femoral joint was developed and validated against experimental results. The computational model was created in IDEAS NX and simulated in MSC ADAMS/VIEW software. The results obtained in the form of internal external rotations and anterior posterior displacements for a new and experimentally simulated specimen for patella femoral joint under standard gait condition were compared with experimental measurements performed on the Leeds ProSim knee simulator. A good overall agreement between the computational prediction and the experimental data was obtained for patella femoral kinematics. Good agreement between the model and the past studies was observed when the ligament load was removed and the medial lateral displacement was constrained. The model is sensitive to ±5 % change in kinematics, frictional, force and stiffness coefficients and insensitive to time step.

Modeling Physiological Systems in the Human Body as Networks of Quasi-1D Fluid Flows

NASA Astrophysics Data System (ADS)

Staples, Anne

2008-11-01

Extensive research has been done on modeling human physiology. Most of this work has been aimed at developing detailed, three-dimensional models of specific components of physiological systems, such as a cell, a vein, a molecule, or a heart valve. While efforts such as these are invaluable to our understanding of human biology, if we were to construct a global model of human physiology with this level of detail, computing even a nanosecond in this computational being's life would certainly be prohibitively expensive. With this in mind, we derive the Pulsed Flow Equations, a set of coupled one-dimensional partial differential equations, specifically designed to capture two-dimensional viscous, transport, and other effects, and aimed at providing accurate and fast-to-compute global models for physiological systems represented as networks of quasi one-dimensional fluid flows. Our goal is to be able to perform faster-than-real time simulations of global processes in the human body on desktop computers.

Concentrator optical characterization using computer mathematical modelling and point source testing

NASA Technical Reports Server (NTRS)

Dennison, E. W.; John, S. L.; Trentelman, G. F.

1984-01-01

The optical characteristics of a paraboloidal solar concentrator are analyzed using the intercept factor curve (a format for image data) to describe the results of a mathematical model and to represent reduced data from experimental testing. This procedure makes it possible not only to test an assembled concentrator, but also to evaluate single optical panels or to conduct non-solar tests of an assembled concentrator. The use of three-dimensional ray tracing computer programs to calculate the mathematical model is described. These ray tracing programs can include any type of optical configuration from simple paraboloids to array of spherical facets and can be adapted to microcomputers or larger computers, which can graphically display real-time comparison of calculated and measured data.

MODELING THE FATE OF TOXIC ORGANIC MATERIALS IN AQUATIC ENVIRONMENTS

EPA Science Inventory

Documentation is given for PEST, a dynamic simulation model for evaluating the fate of toxic organic materials (TOM) in freshwater environments. PEST represents the time-varying concentration (in ppm) of a given TOM in each of as many as 16 carrier compartments; it also computes ...

Linkage of exposure and effects using genomics, proteomics and metabolomics in small fish models (presentation)

EPA Science Inventory

This research project combines the use of whole organism endpoints, genomic, proteomic and metabolomic approaches, and computational modeling in a systems biology approach to 1) identify molecular indicators of exposure and biomarkers of effect to EDCs representing several modes/...

Knowledge Representation and Ontologies

NASA Astrophysics Data System (ADS)

Grimm, Stephan

Knowledge representation and reasoning aims at designing computer systems that reason about a machine-interpretable representation of the world. Knowledge-based systems have a computational model of some domain of interest in which symbols serve as surrogates for real world domain artefacts, such as physical objects, events, relationships, etc. [1]. The domain of interest can cover any part of the real world or any hypothetical system about which one desires to represent knowledge for com-putational purposes. A knowledge-based system maintains a knowledge base, which stores the symbols of the computational model in the form of statements about the domain, and it performs reasoning by manipulating these symbols. Applications can base their decisions on answers to domain-relevant questions posed to a knowledge base.

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.

A high-level object-oriented model for representing relationships in an electronic medical record.

PubMed Central

Dolin, R. H.

1994-01-01

The importance of electronic medical records to improve the quality and cost-effectiveness of medical care continues to be realized. This growing importance has spawned efforts at defining the structure and content of medical data, which is heterogeneous, highly inter-related, and complex. Computer-assisted data modeling tools have greatly facilitated the process of representing medical data, however the complex inter-relationships of medical information can result in data models that are large and cumbersome to manipulate and view. This report presents a high-level object-oriented model for representing the relationships between objects or entities that might exist in an electronic medical record. By defining the relationship between objects at a high level and providing for inheritance, this model enables relating any medical entity to any other medical entity, even though the relationships were not directly specified or known during data model design. PMID:7949981

Determination of in vivo mechanical properties of long bones from their impedance response curves

NASA Technical Reports Server (NTRS)

Borders, S. G.

1981-01-01

A mathematical model consisting of a uniform, linear, visco-elastic, Euler-Bernoulli beam to represent the ulna or tibia of the vibrating forearm or leg system is developed. The skin and tissue compressed between the probe and bone is represented by a spring in series with the beam. The remaining skin and tissue surrounding the bone is represented by a visco-elastic foundation with mass. An extensive parametric study is carried out to determine the effect of each parameter of the mathematical model on its impedance response. A system identification algorithm is developed and programmed on a digital computer to determine the parametric values of the model which best simulate the data obtained from an impedance test.

Electronic health record analysis via deep poisson factor models

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

Henao, Ricardo; Lu, James T.; Lucas, Joseph E.

Electronic Health Record (EHR) phenotyping utilizes patient data captured through normal medical practice, to identify features that may represent computational medical phenotypes. These features may be used to identify at-risk patients and improve prediction of patient morbidity and mortality. We present a novel deep multi-modality architecture for EHR analysis (applicable to joint analysis of multiple forms of EHR data), based on Poisson Factor Analysis (PFA) modules. Each modality, composed of observed counts, is represented as a Poisson distribution, parameterized in terms of hidden binary units. In-formation from different modalities is shared via a deep hierarchy of common hidden units. Activationmore » of these binary units occurs with probability characterized as Bernoulli-Poisson link functions, instead of more traditional logistic link functions. In addition, we demon-strate that PFA modules can be adapted to discriminative modalities. To compute model parameters, we derive efficient Markov Chain Monte Carlo (MCMC) inference that scales efficiently, with significant computational gains when compared to related models based on logistic link functions. To explore the utility of these models, we apply them to a subset of patients from the Duke-Durham patient cohort. We identified a cohort of over 12,000 patients with Type 2 Diabetes Mellitus (T2DM) based on diagnosis codes and laboratory tests out of our patient population of over 240,000. Examining the common hidden units uniting the PFA modules, we identify patient features that represent medical concepts. Experiments indicate that our learned features are better able to predict mortality and morbidity than clinical features identified previously in a large-scale clinical trial.« less

Electronic health record analysis via deep poisson factor models

DOE PAGES

Henao, Ricardo; Lu, James T.; Lucas, Joseph E.; ...

2016-01-01

Electronic Health Record (EHR) phenotyping utilizes patient data captured through normal medical practice, to identify features that may represent computational medical phenotypes. These features may be used to identify at-risk patients and improve prediction of patient morbidity and mortality. We present a novel deep multi-modality architecture for EHR analysis (applicable to joint analysis of multiple forms of EHR data), based on Poisson Factor Analysis (PFA) modules. Each modality, composed of observed counts, is represented as a Poisson distribution, parameterized in terms of hidden binary units. In-formation from different modalities is shared via a deep hierarchy of common hidden units. Activationmore » of these binary units occurs with probability characterized as Bernoulli-Poisson link functions, instead of more traditional logistic link functions. In addition, we demon-strate that PFA modules can be adapted to discriminative modalities. To compute model parameters, we derive efficient Markov Chain Monte Carlo (MCMC) inference that scales efficiently, with significant computational gains when compared to related models based on logistic link functions. To explore the utility of these models, we apply them to a subset of patients from the Duke-Durham patient cohort. We identified a cohort of over 12,000 patients with Type 2 Diabetes Mellitus (T2DM) based on diagnosis codes and laboratory tests out of our patient population of over 240,000. Examining the common hidden units uniting the PFA modules, we identify patient features that represent medical concepts. Experiments indicate that our learned features are better able to predict mortality and morbidity than clinical features identified previously in a large-scale clinical trial.« less

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

Computer models of social processes: the case of migration.

PubMed

Beshers, J M

1967-06-01

The demographic model is a program for representing births, deaths, migration, and social mobility as social processes in a non-stationary stochastic process (Markovian). Transition probabilities for each age group are stored and then retrieved at the next appearance of that age cohort. In this way new transition probabilities can be calculated as a function of the old transition probabilities and of two successive distribution vectors.Transition probabilities can be calculated to represent effects of the whole age-by-state distribution at any given time period, too. Such effects as saturation or queuing may be represented by a market mechanism; for example, migration between metropolitan areas can be represented as depending upon job supplies and labor markets. Within metropolitan areas, migration can be represented as invasion and succession processes with tipping points (acceleration curves), and the market device has been extended to represent this phenomenon.Thus, the demographic model makes possible the representation of alternative classes of models of demographic processes. With each class of model one can deduce implied time series (varying parame-terswithin the class) and the output of the several classes can be compared to each other and to outside criteria, such as empirical time series.

A radiative transfer model for remote sensing of laser induced fluorescence of phytoplankton in non-homogeneous turbid water

NASA Technical Reports Server (NTRS)

Venable, D. D.

1980-01-01

A radiative transfer computer model was developed to characterize the total flux of chlorophyll a fluoresced or backscattered photons when laser radiation is incident on turbid water that contains a non-homogeneous suspension of inorganic sediments and phytoplankton. The radiative transfer model is based on the Monte Carlo technique and assumes that: (1) the aquatic medium can be represented by a stratified concentration profile; and (2) that appropriate optical parameters can be defined for each layer. The model was designed to minimize the required computer resources and run time. Results are presented for an anacystis marinus culture.

Model reduction of the numerical analysis of Low Impact Developments techniques

NASA Astrophysics Data System (ADS)

Brunetti, Giuseppe; Šimůnek, Jirka; Wöhling, Thomas; Piro, Patrizia

2017-04-01

Mechanistic models have proven to be accurate and reliable tools for the numerical analysis of the hydrological behavior of Low Impact Development (LIDs) techniques. However, their widespread adoption is limited by their complexity and computational cost. Recent studies have tried to address this issue by investigating the application of new techniques, such as surrogate-based modeling. However, current results are still limited and fragmented. One of such approaches, the Model Order Reduction (MOR) technique, can represent a valuable tool for reducing the computational complexity of a numerical problems by computing an approximation of the original model. While this technique has been extensively used in water-related problems, no studies have evaluated its use in LIDs modeling. Thus, the main aim of this study is to apply the MOR technique for the development of a reduced order model (ROM) for the numerical analysis of the hydrologic behavior of LIDs, in particular green roofs. The model should be able to correctly reproduce all the hydrological processes of a green roof while reducing the computational cost. The proposed model decouples the subsurface water dynamic of a green roof in a) one-dimensional (1D) vertical flow through a green roof itself and b) one-dimensional saturated lateral flow along the impervious rooftop. The green roof is horizontally discretized in N elements. Each element represents a vertical domain, which can have different properties or boundary conditions. The 1D Richards equation is used to simulate flow in the substrate and drainage layers. Simulated outflow from the vertical domain is used as a recharge term for saturated lateral flow, which is described using the kinematic wave approximation of the Boussinesq equation. The proposed model has been compared with the mechanistic model HYDRUS-2D, which numerically solves the Richards equation for the whole domain. The HYDRUS-1D code has been used for the description of vertical flow, while a Finite Volume Scheme has been adopted for lateral flow. Two scenarios involving flat and steep green roofs were analyzed. Results confirmed the accuracy of the reduced order model, which was able to reproduce both subsurface outflow and the moisture distribution in the green roof, significantly reducing the computational cost.

A conduction velocity adapted eikonal model for electrophysiology problems with re-excitability evaluation.

PubMed

Corrado, Cesare; Zemzemi, Nejib

2018-01-01

Computational models of heart electrophysiology achieved a considerable interest in the medical community as they represent a novel framework for the study of the mechanisms underpinning heart pathologies. The high demand of computational resources and the long computational time required to evaluate the model solution hamper the use of detailed computational models in clinical applications. In this paper, we present a multi-front eikonal algorithm that adapts the conduction velocity (CV) to the activation frequency of the tissue substrate. We then couple the eikonal new algorithm with the Mitchell-Schaeffer (MS) ionic model to determine the tissue electrical state. Compared to the standard eikonal model, this model introduces three novelties: first, it evaluates the local value of the transmembrane potential and of the ionic variable solving an ionic model; second, it computes the action potential duration (APD) and the diastolic interval (DI) from the solution of the MS model and uses them to determine if the tissue is locally re-excitable; third, it adapts the CV to the underpinning electrophysiological state through an analytical expression of the CV restitution and the computed local DI. We conduct series of simulations on a 3D tissue slab and on a realistic heart geometry and compare the solutions with those obtained solving the monodomain equation. Our results show that the new model is significantly more accurate than the standard eikonal model. The proposed model enables the numerical simulation of the heart electrophysiology on a clinical time scale and thus constitutes a viable model candidate for computer-guided radio-frequency ablation. Copyright © 2017 Elsevier B.V. All rights reserved.

Bird impact analysis package for turbine engine fan blades

NASA Technical Reports Server (NTRS)

Hirschbein, M. S.

1982-01-01

A computer program has been developed to analyze the gross structural response of turbine engine fan blades subjected to bird strikes. The program couples a NASTRAN finite element model and modal analysis of a fan blade with a multi-mode bird impact analysis computer program. The impact analysis uses the NASTRAN blade model and a fluid jet model of the bird to interactively calculate blade loading during a bird strike event. The analysis package is computationaly efficient, easy to use and provides a comprehensive history of the gross structual blade response. Example cases are presented for a representative fan blade.

Face Processing: Models For Recognition

NASA Astrophysics Data System (ADS)

Turk, Matthew A.; Pentland, Alexander P.

1990-03-01

The human ability to process faces is remarkable. We can identify perhaps thousands of faces learned throughout our lifetime and read facial expression to understand such subtle qualities as emotion. These skills are quite robust, despite sometimes large changes in the visual stimulus due to expression, aging, and distractions such as glasses or changes in hairstyle or facial hair. Computers which model and recognize faces will be useful in a variety of applications, including criminal identification, human-computer interface, and animation. We discuss models for representing faces and their applicability to the task of recognition, and present techniques for identifying faces and detecting eye blinks.

Efficient Optimization of Stimuli for Model-Based Design of Experiments to Resolve Dynamical Uncertainty.

PubMed

Mdluli, Thembi; Buzzard, Gregery T; Rundell, Ann E

2015-09-01

This model-based design of experiments (MBDOE) method determines the input magnitudes of an experimental stimuli to apply and the associated measurements that should be taken to optimally constrain the uncertain dynamics of a biological system under study. The ideal global solution for this experiment design problem is generally computationally intractable because of parametric uncertainties in the mathematical model of the biological system. Others have addressed this issue by limiting the solution to a local estimate of the model parameters. Here we present an approach that is independent of the local parameter constraint. This approach is made computationally efficient and tractable by the use of: (1) sparse grid interpolation that approximates the biological system dynamics, (2) representative parameters that uniformly represent the data-consistent dynamical space, and (3) probability weights of the represented experimentally distinguishable dynamics. Our approach identifies data-consistent representative parameters using sparse grid interpolants, constructs the optimal input sequence from a greedy search, and defines the associated optimal measurements using a scenario tree. We explore the optimality of this MBDOE algorithm using a 3-dimensional Hes1 model and a 19-dimensional T-cell receptor model. The 19-dimensional T-cell model also demonstrates the MBDOE algorithm's scalability to higher dimensions. In both cases, the dynamical uncertainty region that bounds the trajectories of the target system states were reduced by as much as 86% and 99% respectively after completing the designed experiments in silico. Our results suggest that for resolving dynamical uncertainty, the ability to design an input sequence paired with its associated measurements is particularly important when limited by the number of measurements.

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

Moignier, Alexandra, E-mail: alexandra.moignier@irsn.fr; Derreumaux, Sylvie; Broggio, David

Purpose: Current retrospective cardiovascular dosimetry studies are based on a representative patient or simple mathematic phantoms. Here, a process of patient modeling was developed to personalize the anatomy of the thorax and to include a heart model with coronary arteries. Methods and Materials: The patient models were hybrid computational phantoms (HCPs) with an inserted detailed heart model. A computed tomography (CT) acquisition (pseudo-CT) was derived from HCP and imported into a treatment planning system where treatment conditions were reproduced. Six current patients were selected: 3 were modeled from their CT images (A patients) and the others were modelled from 2more » orthogonal radiographs (B patients). The method performance and limitation were investigated by quantitative comparison between the initial CT and the pseudo-CT, namely, the morphology and the dose calculation were compared. For the B patients, a comparison with 2 kinds of representative patients was also conducted. Finally, dose assessment was focused on the whole coronary artery tree and the left anterior descending coronary. Results: When 3-dimensional anatomic information was available, the dose calculations performed on the initial CT and the pseudo-CT were in good agreement. For the B patients, comparison of doses derived from HCP and representative patients showed that the HCP doses were either better or equivalent. In the left breast radiation therapy context and for the studied cases, coronary mean doses were at least 5-fold higher than heart mean doses. Conclusions: For retrospective dose studies, it is suggested that HCP offers a better surrogate, in terms of dose accuracy, than representative patients. The use of a detailed heart model eliminates the problem of identifying the coronaries on the patient's CT.« less

Efficient Optimization of Stimuli for Model-Based Design of Experiments to Resolve Dynamical Uncertainty

PubMed Central

Mdluli, Thembi; Buzzard, Gregery T.; Rundell, Ann E.

2015-01-01

This model-based design of experiments (MBDOE) method determines the input magnitudes of an experimental stimuli to apply and the associated measurements that should be taken to optimally constrain the uncertain dynamics of a biological system under study. The ideal global solution for this experiment design problem is generally computationally intractable because of parametric uncertainties in the mathematical model of the biological system. Others have addressed this issue by limiting the solution to a local estimate of the model parameters. Here we present an approach that is independent of the local parameter constraint. This approach is made computationally efficient and tractable by the use of: (1) sparse grid interpolation that approximates the biological system dynamics, (2) representative parameters that uniformly represent the data-consistent dynamical space, and (3) probability weights of the represented experimentally distinguishable dynamics. Our approach identifies data-consistent representative parameters using sparse grid interpolants, constructs the optimal input sequence from a greedy search, and defines the associated optimal measurements using a scenario tree. We explore the optimality of this MBDOE algorithm using a 3-dimensional Hes1 model and a 19-dimensional T-cell receptor model. The 19-dimensional T-cell model also demonstrates the MBDOE algorithm’s scalability to higher dimensions. In both cases, the dynamical uncertainty region that bounds the trajectories of the target system states were reduced by as much as 86% and 99% respectively after completing the designed experiments in silico. Our results suggest that for resolving dynamical uncertainty, the ability to design an input sequence paired with its associated measurements is particularly important when limited by the number of measurements. PMID:26379275

Blood Flow: Multi-scale Modeling and Visualization (July 2011)

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

None

2011-01-01

Multi-scale modeling of arterial blood flow can shed light on the interaction between events happening at micro- and meso-scales (i.e., adhesion of red blood cells to the arterial wall, clot formation) and at macro-scales (i.e., change in flow patterns due to the clot). Coupled numerical simulations of such multi-scale flow require state-of-the-art computers and algorithms, along with techniques for multi-scale visualizations. This animation presents early results of two studies used in the development of a multi-scale visualization methodology. The fisrt illustrates a flow of healthy (red) and diseased (blue) blood cells with a Dissipative Particle Dynamics (DPD) method. Each bloodmore » cell is represented by a mesh, small spheres show a sub-set of particles representing the blood plasma, while instantaneous streamlines and slices represent the ensemble average velocity. In the second we investigate the process of thrombus (blood clot) formation, which may be responsible for the rupture of aneurysms, by concentrating on the platelet blood cells, observing as they aggregate on the wall of an aneruysm. Simulation was performed on Kraken at the National Institute for Computational Sciences. Visualization was produced using resources of the Argonne Leadership Computing Facility at Argonne National Laboratory.« less

Success and Failure in Dynamic Decision Environments: Understanding Treatment Strategies for Patients with a Chronic Disease

ERIC Educational Resources Information Center

Ramsey, Gregory W.

2010-01-01

This dissertation proposes and tests a theory explaining how people make decisions to achieve a goal in a specific task environment. The theory is represented as a computational model and implemented as a computer program. The task studied was primary care physicians treating patients with type 2 diabetes. Some physicians succeed in achieving…

Computer simulation of the probability that endangered whales will interact with oil spills, Final report

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

Reed, M.; Jayko, K.; Bowles, A.

1986-10-01

A numerical model system was developed to assess quantitatively the probability that endangered bowhead and gray whales will encounter spilled oil in Alaskan waters. Bowhead and gray whale migration diving-surfacing models, and an oil-spill-trajectory model comprise the system. The migration models were developed from conceptual considerations, then calibrated with and tested against observations. The distribution of animals is represented in space and time by discrete points, each of which may represent one or more whales. The movement of a whale point is governed by a random-walk algorithm which stochastically follows a migratory pathway.

Improvements to a method for the geometrically nonlinear analysis of compressively loaded stiffened composite panels

NASA Technical Reports Server (NTRS)

Stoll, Frederick

1993-01-01

The NLPAN computer code uses a finite-strip approach to the analysis of thin-walled prismatic composite structures such as stiffened panels. The code can model in-plane axial loading, transverse pressure loading, and constant through-the-thickness thermal loading, and can account for shape imperfections. The NLPAN code represents an attempt to extend the buckling analysis of the VIPASA computer code into the geometrically nonlinear regime. Buckling mode shapes generated using VIPASA are used in NLPAN as global functions for representing displacements in the nonlinear regime. While the NLPAN analysis is approximate in nature, it is computationally economical in comparison with finite-element analysis, and is thus suitable for use in preliminary design and design optimization. A comprehensive description of the theoretical approach of NLPAN is provided. A discussion of some operational considerations for the NLPAN code is included. NLPAN is applied to several test problems in order to demonstrate new program capabilities, and to assess the accuracy of the code in modeling various types of loading and response. User instructions for the NLPAN computer program are provided, including a detailed description of the input requirements and example input files for two stiffened-panel configurations.

Smart active pilot-in-the-loop systems

NASA Astrophysics Data System (ADS)

Thomas, Segun

1995-04-01

Representation of on-orbit microgravity environment in a 1-g environment is a continuing problem in space engineering analysis, procedures development and crew training. A way of adequately depicting weightlessness in the performance of on-orbit tasks is by a realistic (or real-time) computer based representation that provides the look, touch, and feel of on-orbit operation. This paper describes how a facility, the Systems Engineering Simulator at the Johnson Space Center, is utilizing recent advances in computer processing power and multi- processing capability to intelligently represent all systems, sub-systems and environmental elements associated with space flight operations. It first describes the computer hardware and interconnection between processors; the computer software responsible for task scheduling, health monitoring, sub-system and environment representation; control room and crew station. It then describes, the mathematical models that represent the dynamics of contact between the Mir and the Space Shuttle during the upcoming US and Russian Shuttle/Mir space mission. Results are presented comparing the response of the smart, active pilot-in-the-loop system to non-time critical CRAY model. A final example of how these systems are utilized is given in the development that supported the highly successful Hubble Space Telescope repair mission.

Representational geometry: integrating cognition, computation, and the brain.

PubMed

Kriegeskorte, Nikolaus; Kievit, Rogier A

2013-08-01

The cognitive concept of representation plays a key role in theories of brain information processing. However, linking neuronal activity to representational content and cognitive theory remains challenging. Recent studies have characterized the representational geometry of neural population codes by means of representational distance matrices, enabling researchers to compare representations across stages of processing and to test cognitive and computational theories. Representational geometry provides a useful intermediate level of description, capturing both the information represented in a neuronal population code and the format in which it is represented. We review recent insights gained with this approach in perception, memory, cognition, and action. Analyses of representational geometry can compare representations between models and the brain, and promise to explain brain computation as transformation of representational similarity structure. Copyright © 2013 Elsevier Ltd. All rights reserved.

Feedback Inhibition Shapes Emergent Computational Properties of Cortical Microcircuit Motifs.

PubMed

Jonke, Zeno; Legenstein, Robert; Habenschuss, Stefan; Maass, Wolfgang

2017-08-30

Cortical microcircuits are very complex networks, but they are composed of a relatively small number of stereotypical motifs. Hence, one strategy for throwing light on the computational function of cortical microcircuits is to analyze emergent computational properties of these stereotypical microcircuit motifs. We are addressing here the question how spike timing-dependent plasticity shapes the computational properties of one motif that has frequently been studied experimentally: interconnected populations of pyramidal cells and parvalbumin-positive inhibitory cells in layer 2/3. Experimental studies suggest that these inhibitory neurons exert some form of divisive inhibition on the pyramidal cells. We show that this data-based form of feedback inhibition, which is softer than that of winner-take-all models that are commonly considered in theoretical analyses, contributes to the emergence of an important computational function through spike timing-dependent plasticity: The capability to disentangle superimposed firing patterns in upstream networks, and to represent their information content through a sparse assembly code. SIGNIFICANCE STATEMENT We analyze emergent computational properties of a ubiquitous cortical microcircuit motif: populations of pyramidal cells that are densely interconnected with inhibitory neurons. Simulations of this model predict that sparse assembly codes emerge in this microcircuit motif under spike timing-dependent plasticity. Furthermore, we show that different assemblies will represent different hidden sources of upstream firing activity. Hence, we propose that spike timing-dependent plasticity enables this microcircuit motif to perform a fundamental computational operation on neural activity patterns. Copyright © 2017 the authors 0270-6474/17/378511-13$15.00/0.

Time dependent neural network models for detecting changes of state in complex processes: applications in earth sciences and astronomy.

PubMed

Valdés, Julio J; Bonham-Carter, Graeme

2006-03-01

A computational intelligence approach is used to explore the problem of detecting internal state changes in time dependent processes; described by heterogeneous, multivariate time series with imprecise data and missing values. Such processes are approximated by collections of time dependent non-linear autoregressive models represented by a special kind of neuro-fuzzy neural network. Grid and high throughput computing model mining procedures based on neuro-fuzzy networks and genetic algorithms, generate: (i) collections of models composed of sets of time lag terms from the time series, and (ii) prediction functions represented by neuro-fuzzy networks. The composition of the models and their prediction capabilities, allows the identification of changes in the internal structure of the process. These changes are associated with the alternation of steady and transient states, zones with abnormal behavior, instability, and other situations. This approach is general, and its sensitivity for detecting subtle changes of state is revealed by simulation experiments. Its potential in the study of complex processes in earth sciences and astrophysics is illustrated with applications using paleoclimate and solar data.

A study of different modeling choices for simulating platelets within the immersed boundary method

PubMed Central

Shankar, Varun; Wright, Grady B.; Fogelson, Aaron L.; Kirby, Robert M.

2012-01-01

The Immersed Boundary (IB) method is a widely-used numerical methodology for the simulation of fluid–structure interaction problems. The IB method utilizes an Eulerian discretization for the fluid equations of motion while maintaining a Lagrangian representation of structural objects. Operators are defined for transmitting information (forces and velocities) between these two representations. Most IB simulations represent their structures with piecewise linear approximations and utilize Hookean spring models to approximate structural forces. Our specific motivation is the modeling of platelets in hemodynamic flows. In this paper, we study two alternative representations – radial basis functions (RBFs) and Fourier-based (trigonometric polynomials and spherical harmonics) representations – for the modeling of platelets in two and three dimensions within the IB framework, and compare our results with the traditional piecewise linear approximation methodology. For different representative shapes, we examine the geometric modeling errors (position and normal vectors), force computation errors, and computational cost and provide an engineering trade-off strategy for when and why one might select to employ these different representations. PMID:23585704

Evidence for a Global Sampling Process in Extraction of Summary Statistics of Item Sizes in a Set.

PubMed

Tokita, Midori; Ueda, Sachiyo; Ishiguchi, Akira

2016-01-01

Several studies have shown that our visual system may construct a "summary statistical representation" over groups of visual objects. Although there is a general understanding that human observers can accurately represent sets of a variety of features, many questions on how summary statistics, such as an average, are computed remain unanswered. This study investigated sampling properties of visual information used by human observers to extract two types of summary statistics of item sets, average and variance. We presented three models of ideal observers to extract the summary statistics: a global sampling model without sampling noise, global sampling model with sampling noise, and limited sampling model. We compared the performance of an ideal observer of each model with that of human observers using statistical efficiency analysis. Results suggest that summary statistics of items in a set may be computed without representing individual items, which makes it possible to discard the limited sampling account. Moreover, the extraction of summary statistics may not necessarily require the representation of individual objects with focused attention when the sets of items are larger than 4.

Learning by Explaining Examples to Oneself: A Computational Model

DTIC Science & Technology

1992-02-01

rules. of which 28 rep~resented common senise phtysirs (e.g.. a taut rope tied to a object pulls onl it ) and 17 represented ()vr-gnerlizt inssuch as...the ,mii~ jduid( ii ot refer to anl examiplle to achieve tilie goal. thliu we cla-si tied lie goalI as beingp resolved bY EIIL( * llliimi v all mlv 1i e

Cloud immersion building shielding factors for US residential structures.

PubMed

Dickson, E D; Hamby, D M

2014-12-01

This paper presents validated building shielding factors designed for contemporary US housing-stock under an idealized, yet realistic, exposure scenario within a semi-infinite cloud of radioactive material. The building shielding factors are intended for use in emergency planning and level three probabilistic risk assessments for a variety of postulated radiological events in which a realistic assessment is necessary to better understand the potential risks for accident mitigation and emergency response planning. Factors are calculated from detailed computational housing-units models using the general-purpose Monte Carlo N-Particle computational code, MCNP5, and are benchmarked from a series of narrow- and broad-beam measurements analyzing the shielding effectiveness of ten common general-purpose construction materials and ten shielding models representing the primary weather barriers (walls and roofs) of likely US housing-stock. Each model was designed to scale based on common residential construction practices and include, to the extent practical, all structurally significant components important for shielding against ionizing radiation. Calculations were performed for floor-specific locations as well as for computing a weighted-average representative building shielding factor for single- and multi-story detached homes, both with and without basement, as well for single-wide manufactured housing-units.

Measurement-derived heat-budget approaches for simulating coastal wetland temperature with a hydrodynamic model

USGS Publications Warehouse

Swain, Eric; Decker, Jeremy

2010-01-01

Numerical modeling is needed to predict environmental temperatures, which affect a number of biota in southern Florida, U.S.A., such as the West Indian manatee (Trichechus manatus), which uses thermal basins for refuge from lethal winter cold fronts. To numerically simulate heat-transport through a dynamic coastal wetland region, an algorithm was developed for the FTLOADDS coupled hydrodynamic surface-water/ground-water model that uses formulations and coefficients suited to the coastal wetland thermal environment. In this study, two field sites provided atmospheric data to develop coefficients for the heat flux terms representing this particular study area. Several methods were examined to represent the heat-flux components used to compute temperature. A Dalton equation was compared with a Penman formulation for latent heat computations, producing similar daily-average temperatures. Simulation of heat-transport in the southern Everglades indicates that the model represents the daily fluctuation in coastal temperatures better than at inland locations; possibly due to the lack of information on the spatial variations in heat-transport parameters such as soil heat capacity and surface albedo. These simulation results indicate that the new formulation is suitable for defining the existing thermohydrologic system and evaluating the ecological effect of proposed restoration efforts in the southern Everglades of Florida.

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.

Acquiring, Representing, and Evaluating a Competence Model of Diagnostic Strategy.

ERIC Educational Resources Information Center

Clancey, William J.

This paper describes NEOMYCIN, a computer program that models one physician's diagnostic reasoning within a limited area of medicine. NEOMYCIN's knowledge base and reasoning procedure constitute a model of how human knowledge is organized and how it is used in diagnosis. The hypothesis is tested that such a procedure can be used to simulate both…

Wind Farm Flow Modeling using an Input-Output Reduced-Order Model

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

Annoni, Jennifer; Gebraad, Pieter; Seiler, Peter

Wind turbines in a wind farm operate individually to maximize their own power regardless of the impact of aerodynamic interactions on neighboring turbines. There is the potential to increase power and reduce overall structural loads by properly coordinating turbines. To perform control design and analysis, a model needs to be of low computational cost, but retains the necessary dynamics seen in high-fidelity models. The objective of this work is to obtain a reduced-order model that represents the full-order flow computed using a high-fidelity model. A variety of methods, including proper orthogonal decomposition and dynamic mode decomposition, can be used tomore » extract the dominant flow structures and obtain a reduced-order model. In this paper, we combine proper orthogonal decomposition with a system identification technique to produce an input-output reduced-order model. This technique is used to construct a reduced-order model of the flow within a two-turbine array computed using a large-eddy simulation.« less

CFD Simulation of Liquid Rocket Engine Injectors

NASA Technical Reports Server (NTRS)

Farmer, Richard; Cheng, Gary; Chen, Yen-Sen; Garcia, Roberto (Technical Monitor)

2001-01-01

Detailed design issues associated with liquid rocket engine injectors and combustion chamber operation require CFD methodology which simulates highly three-dimensional, turbulent, vaporizing, and combusting flows. The primary utility of such simulations involves predicting multi-dimensional effects caused by specific injector configurations. SECA, Inc. and Engineering Sciences, Inc. have been developing appropriate computational methodology for NASA/MSFC for the past decade. CFD tools and computers have improved dramatically during this time period; however, the physical submodels used in these analyses must still remain relatively simple in order to produce useful results. Simulations of clustered coaxial and impinger injector elements for hydrogen and hydrocarbon fuels, which account for real fluid properties, is the immediate goal of this research. The spray combustion codes are based on the FDNS CFD code' and are structured to represent homogeneous and heterogeneous spray combustion. The homogeneous spray model treats the flow as a continuum of multi-phase, multicomponent fluids which move without thermal or velocity lags between the phases. Two heterogeneous models were developed: (1) a volume-of-fluid (VOF) model which represents the liquid core of coaxial or impinger jets and their atomization and vaporization, and (2) a Blob model which represents the injected streams as a cloud of droplets the size of the injector orifice which subsequently exhibit particle interaction, vaporization, and combustion. All of these spray models are computationally intensive, but this is unavoidable to accurately account for the complex physics and combustion which is to be predicted, Work is currently in progress to parallelize these codes to improve their computational efficiency. These spray combustion codes were used to simulate the three test cases which are the subject of the 2nd International Workshop on-Rocket Combustion Modeling. Such test cases are considered by these investigators to be very valuable for code validation because combustion kinetics, turbulence models and atomization models based on low pressure experiments of hydrogen air combustion do not adequately verify analytical or CFD submodels which are necessary to simulate rocket engine combustion. We wish to emphasize that the simulations which we prepared for this meeting are meant to test the accuracy of the approximations used in our general purpose spray combustion models, rather than represent a definitive analysis of each of the experiments which were conducted. Our goal is to accurately predict local temperatures and mixture ratios in rocket engines; hence predicting individual experiments is used only for code validation. To replace the conventional JANNAF standard axisymmetric finite-rate (TDK) computer code 2 for performance prediction with CFD cases, such codes must posses two features. Firstly, they must be as easy to use and of comparable run times for conventional performance predictions. Secondly, they must provide more detailed predictions of the flowfields near the injector face. Specifically, they must accurately predict the convective mixing of injected liquid propellants in terms of the injector element configurations.

The Computerized Anatomical Man (CAM) model

NASA Technical Reports Server (NTRS)

Billings, M. P.; Yucker, W. R.

1973-01-01

A computerized anatomical man (CAM) model, representing the most detailed and anatomically correct geometrical model of the human body yet prepared, has been developed for use in analyzing radiation dose distribution in man. This model of a 50-percentile standing USAF man comprises some 1100 unique geometric surfaces and some 2450 solid regions. Internal body geometry such as organs, voids, bones, and bone marrow are explicitly modeled. A computer program called CAMERA has also been developed for performing analyses with the model. Such analyses include tracing rays through the CAM geometry, placing results on magnetic tape in various forms, collapsing areal density data from ray tracing information to areal density distributions, preparing cross section views, etc. Numerous computer drawn cross sections through the CAM model are presented.

Why environmental scientists are becoming Bayesians

Treesearch

James S. Clark

2005-01-01

Advances in computational statistics provide a general framework for the high dimensional models typically needed for ecological inference and prediction. Hierarchical Bayes (HB) represents a modelling structure with capacity to exploit diverse sources of information, to accommodate influences that are unknown (or unknowable), and to draw inference on large numbers of...

10 CFR 431.197 - Manufacturer's determination of efficiency for distribution transformers.

Code of Federal Regulations, 2010 CFR

2010-01-01

... methods used; the mathematical model, the engineering or statistical analysis, computer simulation or... (b)(3) of this section, or by application of an alternative efficiency determination method (AEDM... section only if: (i) The AEDM has been derived from a mathematical model that represents the electrical...

The Role of Item Models in Automatic Item Generation

ERIC Educational Resources Information Center

Gierl, Mark J.; Lai, Hollis

2012-01-01

Automatic item generation represents a relatively new but rapidly evolving research area where cognitive and psychometric theories are used to produce tests that include items generated using computer technology. Automatic item generation requires two steps. First, test development specialists create item models, which are comparable to templates…

SURFACE WATER FLOW IN LANDSCAPE MODELS: 1. EVERGLADES CASE STUDY. (R824766)

EPA Science Inventory

Many landscape models require extensive computational effort using a large array of grid cells that represent the landscape. The number of spatial cells may be in the thousands and millions, while the ecological component run in each of the cells to account for landscape dynamics...

A new parallel DNA algorithm to solve the task scheduling problem based on inspired computational model.

PubMed

Wang, Zhaocai; Ji, Zuwen; Wang, Xiaoming; Wu, Tunhua; Huang, Wei

2017-12-01

As a promising approach to solve the computationally intractable problem, the method based on DNA computing is an emerging research area including mathematics, computer science and molecular biology. The task scheduling problem, as a well-known NP-complete problem, arranges n jobs to m individuals and finds the minimum execution time of last finished individual. In this paper, we use a biologically inspired computational model and describe a new parallel algorithm to solve the task scheduling problem by basic DNA molecular operations. In turn, we skillfully design flexible length DNA strands to represent elements of the allocation matrix, take appropriate biological experiment operations and get solutions of the task scheduling problem in proper length range with less than O(n 2 ) time complexity. Copyright © 2017. Published by Elsevier B.V.

Toward large eddy simulation of turbulent flow over an airfoil

NASA Technical Reports Server (NTRS)

Choi, Haecheon

1993-01-01

The flow field over an airfoil contains several distinct flow characteristics, e.g. laminar, transitional, turbulent boundary layer flow, flow separation, unstable free shear layers, and a wake. This diversity of flow regimes taxes the presently available Reynolds averaged turbulence models. Such models are generally tuned to predict a particular flow regime, and adjustments are necessary for the prediction of a different flow regime. Similar difficulties are likely to emerge when the large eddy simulation technique is applied with the widely used Smagorinsky model. This model has not been successful in correctly representing different turbulent flow fields with a single universal constant and has an incorrect near-wall behavior. Germano et al. (1991) and Ghosal, Lund & Moin have developed a new subgrid-scale model, the dynamic model, which is very promising in alleviating many of the persistent inadequacies of the Smagorinsky model: the model coefficient is computed dynamically as the calculation progresses rather than input a priori. The model has been remarkably successful in prediction of several turbulent and transitional flows. We plan to simulate turbulent flow over a '2D' airfoil using the large eddy simulation technique. Our primary objective is to assess the performance of the newly developed dynamic subgrid-scale model for computation of complex flows about aircraft components and to compare the results with those obtained using the Reynolds average approach and experiments. The present computation represents the first application of large eddy simulation to a flow of aeronautical interest and a key demonstration of the capabilities of the large eddy simulation technique.

Application of bayesian networks to real-time flood risk estimation

NASA Astrophysics Data System (ADS)

Garrote, L.; Molina, M.; Blasco, G.

2003-04-01

This paper presents the application of a computational paradigm taken from the field of artificial intelligence - the bayesian network - to model the behaviour of hydrologic basins during floods. The final goal of this research is to develop representation techniques for hydrologic simulation models in order to define, develop and validate a mechanism, supported by a software environment, oriented to build decision models for the prediction and management of river floods in real time. The emphasis is placed on providing decision makers with tools to incorporate their knowledge of basin behaviour, usually formulated in terms of rainfall-runoff models, in the process of real-time decision making during floods. A rainfall-runoff model is only a step in the process of decision making. If a reliable rainfall forecast is available and the rainfall-runoff model is well calibrated, decisions can be based mainly on model results. However, in most practical situations, uncertainties in rainfall forecasts or model performance have to be incorporated in the decision process. The computation paradigm adopted for the simulation of hydrologic processes is the bayesian network. A bayesian network is a directed acyclic graph that represents causal influences between linked variables. Under this representation, uncertain qualitative variables are related through causal relations quantified with conditional probabilities. The solution algorithm allows the computation of the expected probability distribution of unknown variables conditioned to the observations. An approach to represent hydrologic processes by bayesian networks with temporal and spatial extensions is presented in this paper, together with a methodology for the development of bayesian models using results produced by deterministic hydrologic simulation models

A simple parameterization of aerosol emissions in RAMS

NASA Astrophysics Data System (ADS)

Letcher, Theodore

Throughout the past decade, a high degree of attention has been focused on determining the microphysical impact of anthropogenically enhanced concentrations of Cloud Condensation Nuclei (CCN) on orographic snowfall in the mountains of the western United States. This area has garnered a lot of attention due to the implications this effect may have on local water resource distribution within the Region. Recent advances in computing power and the development of highly advanced microphysical schemes within numerical models have provided an estimation of the sensitivity that orographic snowfall has to changes in atmospheric CCN concentrations. However, what is still lacking is a coupling between these advanced microphysical schemes and a real-world representation of CCN sources. Previously, an attempt to representation the heterogeneous evolution of aerosol was made by coupling three-dimensional aerosol output from the WRF Chemistry model to the Colorado State University (CSU) Regional Atmospheric Modeling System (RAMS) (Ward et al. 2011). The biggest problem associated with this scheme was the computational expense. In fact, the computational expense associated with this scheme was so high, that it was prohibitive for simulations with fine enough resolution to accurately represent microphysical processes. To improve upon this method, a new parameterization for aerosol emission was developed in such a way that it was fully contained within RAMS. Several assumptions went into generating a computationally efficient aerosol emissions parameterization in RAMS. The most notable assumption was the decision to neglect the chemical processes in formed in the formation of Secondary Aerosol (SA), and instead treat SA as primary aerosol via short-term WRF-CHEM simulations. While, SA makes up a substantial portion of the total aerosol burden (much of which is made up of organic material), the representation of this process is highly complex and highly expensive within a numerical model. Furthermore, SA formation is greatly reduced during the winter months due to the lack of naturally produced organic VOC's. Because of these reasons, it was felt that neglecting SOA within the model was the best course of action. The actual parameterization uses a prescribed source map to add aerosol to the model at two vertical levels that surround an arbitrary height decided by the user. To best represent the real-world, the WRF Chemistry model was run using the National Emissions Inventory (NEI2005) to represent anthropogenic emissions and the Model Emissions of Gases and Aerosols from Nature (MEGAN) to represent natural contributions to aerosol. WRF Chemistry was run for one hour, after which the aerosol output along with the hygroscopicity parameter (κ) were saved into a data file that had the capacity to be interpolated to an arbitrary grid used in RAMS. The comparison of this parameterization to observations collected at Mesa Verde National Park (MVNP) during the Inhibition of Snowfall from Pollution Aerosol (ISPA-III) field campaign yielded promising results. The model was able to simulate the variability in near surface aerosol concentration with reasonable accuracy, though with a general low bias. Furthermore, this model compared much better to the observations than did the WRF Chemistry model using a fraction of the computational expense. This emissions scheme was able to show reasonable solutions regarding the aerosol concentrations and can therefore be used to provide an estimate of the seasonal impact of increased CCN on water resources in Western Colorado with relatively low computational expense.

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.

Atmospheric Turbulence Modeling for Aero Vehicles: Fractional Order Fits

NASA Technical Reports Server (NTRS)

Kopasakis, George

2015-01-01

Atmospheric turbulence models are necessary for the design of both inlet/engine and flight controls, as well as for studying coupling between the propulsion and the vehicle structural dynamics for supersonic vehicles. Models based on the Kolmogorov spectrum have been previously utilized to model atmospheric turbulence. In this paper, a more accurate model is developed in its representative fractional order form, typical of atmospheric disturbances. This is accomplished by first scaling the Kolmogorov spectral to convert them into finite energy von Karman forms and then by deriving an explicit fractional circuit-filter type analog for this model. This circuit model is utilized to develop a generalized formulation in frequency domain to approximate the fractional order with the products of first order transfer functions, which enables accurate time domain simulations. The objective of this work is as follows. Given the parameters describing the conditions of atmospheric disturbances, and utilizing the derived formulations, directly compute the transfer function poles and zeros describing these disturbances for acoustic velocity, temperature, pressure, and density. Time domain simulations of representative atmospheric turbulence can then be developed by utilizing these computed transfer functions together with the disturbance frequencies of interest.

Atmospheric Turbulence Modeling for Aero Vehicles: Fractional Order Fits

NASA Technical Reports Server (NTRS)

Kopasakis, George

2010-01-01

Atmospheric turbulence models are necessary for the design of both inlet/engine and flight controls, as well as for studying coupling between the propulsion and the vehicle structural dynamics for supersonic vehicles. Models based on the Kolmogorov spectrum have been previously utilized to model atmospheric turbulence. In this paper, a more accurate model is developed in its representative fractional order form, typical of atmospheric disturbances. This is accomplished by first scaling the Kolmogorov spectral to convert them into finite energy von Karman forms and then by deriving an explicit fractional circuit-filter type analog for this model. This circuit model is utilized to develop a generalized formulation in frequency domain to approximate the fractional order with the products of first order transfer functions, which enables accurate time domain simulations. The objective of this work is as follows. Given the parameters describing the conditions of atmospheric disturbances, and utilizing the derived formulations, directly compute the transfer function poles and zeros describing these disturbances for acoustic velocity, temperature, pressure, and density. Time domain simulations of representative atmospheric turbulence can then be developed by utilizing these computed transfer functions together with the disturbance frequencies of interest.

Surrogate modeling of joint flood risk across coastal watersheds

NASA Astrophysics Data System (ADS)

Bass, Benjamin; Bedient, Philip

2018-03-01

This study discusses the development and performance of a rapid prediction system capable of representing the joint rainfall-runoff and storm surge flood response of tropical cyclones (TCs) for probabilistic risk analysis. Due to the computational demand required for accurately representing storm surge with the high-fidelity ADvanced CIRCulation (ADCIRC) hydrodynamic model and its coupling with additional numerical models to represent rainfall-runoff, a surrogate or statistical model was trained to represent the relationship between hurricane wind- and pressure-field characteristics and their peak joint flood response typically determined from physics based numerical models. This builds upon past studies that have only evaluated surrogate models for predicting peak surge, and provides the first system capable of probabilistically representing joint flood levels from TCs. The utility of this joint flood prediction system is then demonstrated by improving upon probabilistic TC flood risk products, which currently account for storm surge but do not take into account TC associated rainfall-runoff. Results demonstrate the source apportionment of rainfall-runoff versus storm surge and highlight that slight increases in flood risk levels may occur due to the interaction between rainfall-runoff and storm surge as compared to the Federal Emergency Management Association's (FEMAs) current practices.

A locally p-adaptive approach for Large Eddy Simulation of compressible flows in a DG framework

NASA Astrophysics Data System (ADS)

Tugnoli, Matteo; Abbà, Antonella; Bonaventura, Luca; Restelli, Marco

2017-11-01

We investigate the possibility of reducing the computational burden of LES models by employing local polynomial degree adaptivity in the framework of a high-order DG method. A novel degree adaptation technique especially featured to be effective for LES applications is proposed and its effectiveness is compared to that of other criteria already employed in the literature. The resulting locally adaptive approach allows to achieve significant reductions in computational cost of representative LES computations.

Chiral phosphoric acid catalysis: from numbers to insights.

PubMed

Maji, Rajat; Mallojjala, Sharath Chandra; Wheeler, Steven E

2018-02-19

Chiral phosphoric acids (CPAs) have emerged as powerful organocatalysts for asymmetric reactions, and applications of computational quantum chemistry have revealed important insights into the activity and selectivity of these catalysts. In this tutorial review, we provide an overview of computational tools at the disposal of computational organic chemists and demonstrate their application to a wide array of CPA catalysed reactions. Predictive models of the stereochemical outcome of these reactions are discussed along with specific examples of representative reactions and an outlook on remaining challenges in this area.

Hearing on Computer Education. Hearing before the Subcommittee on Elementary, Secondary, and Vocational Education of the Committee on Education and Labor, House of Representatives, Ninety-Eighth Congress, Second Session, on H.R. 3750, H.R. 1134, and H.R. 4628.

ERIC Educational Resources Information Center

Congress of the U.S., Washington, DC. House Committee on Education and Labor.

This hearing report covers three bills: (1) H.R. 3750, which would authorize grants to local educational agencies to purchase computer equipment; (2) H.R. 1134, which would provide funds to establish and operate model centers for computers in education; and (3) H.R. 4628, which would establish a government corporation to promote the development…

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).

Documentation of a computer program to simulate lake-aquifer interaction using the MODFLOW ground water flow model and the MOC3D solute-transport model

USGS Publications Warehouse

Merritt, Michael L.; Konikow, Leonard F.

2000-01-01

Heads and flow patterns in surficial aquifers can be strongly influenced by the presence of stationary surface-water bodies (lakes) that are in direct contact, vertically and laterally, with the aquifer. Conversely, lake stages can be significantly affected by the volume of water that seeps through the lakebed that separates the lake from the aquifer. For these reasons, a set of computer subroutines called the Lake Package (LAK3) was developed to represent lake/aquifer interaction in numerical simulations using the U.S. Geological Survey three-dimensional, finite-difference, modular ground-water flow model MODFLOW and the U.S. Geological Survey three-dimensional method-of-characteristics solute-transport model MOC3D. In the Lake Package described in this report, a lake is represented as a volume of space within the model grid which consists of inactive cells extending downward from the upper surface of the grid. Active model grid cells bordering this space, representing the adjacent aquifer, exchange water with the lake at a rate determined by the relative heads and by conductances that are based on grid cell dimensions, hydraulic conductivities of the aquifer material, and user-specified leakance distributions that represent the resistance to flow through the material of the lakebed. Parts of the lake may become ?dry? as upper layers of the model are dewatered, with a concomitant reduction in lake surface area, and may subsequently rewet when aquifer heads rise. An empirical approximation has been encoded to simulate the rewetting of a lake that becomes completely dry. The variations of lake stages are determined by independent water budgets computed for each lake in the model grid. This lake budget process makes the package a simulator of the response of lake stage to hydraulic stresses applied to the aquifer. Implementation of a lake water budget requires input of parameters including those representing the rate of lake atmospheric recharge and evaporation, overland runoff, and the rate of any direct withdrawal from, or augmentation of, the lake volume. The lake/aquifer interaction may be simulated in both transient and steady-state flow conditions, and the user may specify that lake stages be computed explicitly, semi-implicitly, or fully-implicitly in transient simulations. The lakes, and all sources of water entering the lakes, may have solute concentrations associated with them for use in solute-transport simulations using MOC3D. The Stream Package of MODFLOW-2000 and MOC3D represents stream connections to lakes, either as inflows or outflows. Because lakes with irregular bathymetry can exist as separate pools of water at lower stages, that coalesce to become a single body of water at higher stages, logic was added to the Lake Package to allow the representation of this process as a user option. If this option is selected, a system of linked pools (sublakes) is identified in each time step and stages are equalized based on current relative sublake surface areas.

Combining Modeling and Gaming for Predictive Analytics

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

Riensche, Roderick M.; Whitney, Paul D.

2012-08-22

Many of our most significant challenges involve people. While human behavior has long been studied, there are recent advances in computational modeling of human behavior. With advances in computational capabilities come increases in the volume and complexity of data that humans must understand in order to make sense of and capitalize on these modeling advances. Ultimately, models represent an encapsulation of human knowledge. One inherent challenge in modeling is efficient and accurate transfer of knowledge from humans to models, and subsequent retrieval. The simulated real-world environment of games presents one avenue for these knowledge transfers. In this paper we describemore » our approach of combining modeling and gaming disciplines to develop predictive capabilities, using formal models to inform game development, and using games to provide data for modeling.« less

Design of cryogenic tanks for launch vehicles

NASA Technical Reports Server (NTRS)

Copper, Charles; Pilkey, Walter D.; Haviland, John K.

1990-01-01

During the period since January 1990, work was concentrated on the problem of the buckling of the structure of an ALS (advanced launch systems) tank during the boost phase. The primary problem was to analyze a proposed hat stringer made by superplastic forming, and to compare it with an integrally stiffened stringer design. A secondary objective was to determine whether structural rings having the identical section to the stringers will provide adequate support against overall buckling. All of the analytical work was carried out with the TESTBED program on the CONVEX computer, using PATRAN programs to create models. Analyses of skin/stringer combinations have shown that the proposed stringer design is an adequate substitute for the integrally stiffened stringer. Using a highly refined mesh to represent the corrugations in the vertical webs of the hat stringers, effective values were obtained for cross-sectional area, moment of inertia, centroid height, and torsional constant. Not only can these values be used for comparison with experimental values, but they can also be used for beams to replace the stringers and frames in analytical models of complete sections of tank. The same highly refined model was used to represent a section of skin reinforced by a stringer and a ring segment in the configuration of a cross. It was intended that this would provide a baseline buckling analysis representing a basic mode, however, the analysis proved to be beyond the scope of the CONVEX computer. One quarter of this model was analyzed, however, to provide information on buckling between the spot welds. Models of large sections of the tank structure were made, using beam elements to model the stringers and frames. In order to represent the stiffening effects of pressure, stresses and deflections under pressure should first be obtained, and then the buckling analysis should be made on the structure so deflected. So far, uncharacteristic deflections under pressure were obtained from the TESTBED program using two types of structural elements. Similar results were obtained using the ANSYS program on a mainframe computer, although two finite element programs on microcomputers have yielded realistic results.

Model verification of large structural systems

NASA Technical Reports Server (NTRS)

Lee, L. T.; Hasselman, T. K.

1977-01-01

A methodology was formulated, and a general computer code implemented for processing sinusoidal vibration test data to simultaneously make adjustments to a prior mathematical model of a large structural system, and resolve measured response data to obtain a set of orthogonal modes representative of the test model. The derivation of estimator equations is shown along with example problems. A method for improving the prior analytic model is included.

Modelling non-hydrostatic processes in sill regions

NASA Astrophysics Data System (ADS)

Souza, A.; Xing, J.; Davies, A.; Berntsen, J.

2007-12-01

We use a non-hydrostatic model to compute tidally induced flow and mixing in the region of bottom topography representing the sill at the entrance to Loch Etive (Scotland). This site is chosen since detailed measurements were recently made there. With non-hydrostatic dynamics in the model our results showed that the model could reproduce the observed flow characteristics, e.g., hydraulic transition, flow separation and internal waves. However, when calculations were performed using the model in the hydrostatic form, significant artificial convective mixing occurred. This influenced the computed temperature and flow field. We will discuss in detail the effects of non-hydrostatic dynamics on flow over the sill, especially investigate non-linear and non-hydrostatic contributions to modelled internal waves and internal wave energy fluxes.

2-D Model for Normal and Sickle Cell Blood Microcirculation

NASA Astrophysics Data System (ADS)

Tekleab, Yonatan; Harris, Wesley

2011-11-01

Sickle cell disease (SCD) is a genetic disorder that alters the red blood cell (RBC) structure and function such that hemoglobin (Hb) cannot effectively bind and release oxygen. Previous computational models have been designed to study the microcirculation for insight into blood disorders such as SCD. Our novel 2-D computational model represents a fast, time efficient method developed to analyze flow dynamics, O2 diffusion, and cell deformation in the microcirculation. The model uses a finite difference, Crank-Nicholson scheme to compute the flow and O2 concentration, and the level set computational method to advect the RBC membrane on a staggered grid. Several sets of initial and boundary conditions were tested. Simulation data indicate a few parameters to be significant in the perturbation of the blood flow and O2 concentration profiles. Specifically, the Hill coefficient, arterial O2 partial pressure, O2 partial pressure at 50% Hb saturation, and cell membrane stiffness are significant factors. Results were found to be consistent with those of Le Floch [2010] and Secomb [2006].

High performance hybrid functional Petri net simulations of biological pathway models on CUDA.

PubMed

Chalkidis, Georgios; Nagasaki, Masao; Miyano, Satoru

2011-01-01

Hybrid functional Petri nets are a wide-spread tool for representing and simulating biological models. Due to their potential of providing virtual drug testing environments, biological simulations have a growing impact on pharmaceutical research. Continuous research advancements in biology and medicine lead to exponentially increasing simulation times, thus raising the demand for performance accelerations by efficient and inexpensive parallel computation solutions. Recent developments in the field of general-purpose computation on graphics processing units (GPGPU) enabled the scientific community to port a variety of compute intensive algorithms onto the graphics processing unit (GPU). This work presents the first scheme for mapping biological hybrid functional Petri net models, which can handle both discrete and continuous entities, onto compute unified device architecture (CUDA) enabled GPUs. GPU accelerated simulations are observed to run up to 18 times faster than sequential implementations. Simulating the cell boundary formation by Delta-Notch signaling on a CUDA enabled GPU results in a speedup of approximately 7x for a model containing 1,600 cells.

Reducing computation in an i-vector speaker recognition system using a tree-structured universal background model

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

McClanahan, Richard; De Leon, Phillip L.

The majority of state-of-the-art speaker recognition systems (SR) utilize speaker models that are derived from an adapted universal background model (UBM) in the form of a Gaussian mixture model (GMM). This is true for GMM supervector systems, joint factor analysis systems, and most recently i-vector systems. In all of the identified systems, the posterior probabilities and sufficient statistics calculations represent a computational bottleneck in both enrollment and testing. We propose a multi-layered hash system, employing a tree-structured GMM–UBM which uses Runnalls’ Gaussian mixture reduction technique, in order to reduce the number of these calculations. Moreover, with this tree-structured hash, wemore » can trade-off reduction in computation with a corresponding degradation of equal error rate (EER). As an example, we also reduce this computation by a factor of 15× while incurring less than 10% relative degradation of EER (or 0.3% absolute EER) when evaluated with NIST 2010 speaker recognition evaluation (SRE) telephone data.« less

Reducing computation in an i-vector speaker recognition system using a tree-structured universal background model

DOE PAGES

McClanahan, Richard; De Leon, Phillip L.

2014-08-20

The majority of state-of-the-art speaker recognition systems (SR) utilize speaker models that are derived from an adapted universal background model (UBM) in the form of a Gaussian mixture model (GMM). This is true for GMM supervector systems, joint factor analysis systems, and most recently i-vector systems. In all of the identified systems, the posterior probabilities and sufficient statistics calculations represent a computational bottleneck in both enrollment and testing. We propose a multi-layered hash system, employing a tree-structured GMM–UBM which uses Runnalls’ Gaussian mixture reduction technique, in order to reduce the number of these calculations. Moreover, with this tree-structured hash, wemore » can trade-off reduction in computation with a corresponding degradation of equal error rate (EER). As an example, we also reduce this computation by a factor of 15× while incurring less than 10% relative degradation of EER (or 0.3% absolute EER) when evaluated with NIST 2010 speaker recognition evaluation (SRE) telephone data.« less

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

Principles of proteome allocation are revealed using proteomic data and genome-scale models

PubMed Central

Yang, Laurence; Yurkovich, James T.; Lloyd, Colton J.; Ebrahim, Ali; Saunders, Michael A.; Palsson, Bernhard O.

2016-01-01

Integrating omics data to refine or make context-specific models is an active field of constraint-based modeling. Proteomics now cover over 95% of the Escherichia coli proteome by mass. Genome-scale models of Metabolism and macromolecular Expression (ME) compute proteome allocation linked to metabolism and fitness. Using proteomics data, we formulated allocation constraints for key proteome sectors in the ME model. The resulting calibrated model effectively computed the “generalist” (wild-type) E. coli proteome and phenotype across diverse growth environments. Across 15 growth conditions, prediction errors for growth rate and metabolic fluxes were 69% and 14% lower, respectively. The sector-constrained ME model thus represents a generalist ME model reflecting both growth rate maximization and “hedging” against uncertain environments and stresses, as indicated by significant enrichment of these sectors for the general stress response sigma factor σS. Finally, the sector constraints represent a general formalism for integrating omics data from any experimental condition into constraint-based ME models. The constraints can be fine-grained (individual proteins) or coarse-grained (functionally-related protein groups) as demonstrated here. This flexible formalism provides an accessible approach for narrowing the gap between the complexity captured by omics data and governing principles of proteome allocation described by systems-level models. PMID:27857205

Principles of proteome allocation are revealed using proteomic data and genome-scale models

DOE PAGES

Yang, Laurence; Yurkovich, James T.; Lloyd, Colton J.; ...

2016-11-18

Integrating omics data to refine or make context-specific models is an active field of constraint-based modeling. Proteomics now cover over 95% of the Escherichia coli proteome by mass. Genome-scale models of Metabolism and macromolecular Expression (ME) compute proteome allocation linked to metabolism and fitness. Using proteomics data, we formulated allocation constraints for key proteome sectors in the ME model. The resulting calibrated model effectively computed the “generalist” (wild-type) E. coli proteome and phenotype across diverse growth environments. Across 15 growth conditions, prediction errors for growth rate and metabolic fluxes were 69% and 14% lower, respectively. The sector-constrained ME model thusmore » represents a generalist ME model reflecting both growth rate maximization and “hedging” against uncertain environments and stresses, as indicated by significant enrichment of these sectors for the general stress response sigma factor σS. Finally, the sector constraints represent a general formalism for integrating omics data from any experimental condition into constraint-based ME models. The constraints can be fine-grained (individual proteins) or coarse-grained (functionally-related protein groups) as demonstrated here. Furthermore, this flexible formalism provides an accessible approach for narrowing the gap between the complexity captured by omics data and governing principles of proteome allocation described by systems-level models.« less

Descriptive and sensitivity analyses of WATBALI: A dynamic soil water model

NASA Technical Reports Server (NTRS)

Hildreth, W. W. (Principal Investigator)

1981-01-01

A soil water computer model that uses the IBM Continuous System Modeling Program III to solve the dynamic equations representing the soil, plant, and atmospheric physical or physiological processes considered is presented and discussed. Using values describing the soil-plant-atmosphere characteristics, the model predicts evaporation, transpiration, drainage, and soil water profile changes from an initial soil water profile and daily meteorological data. The model characteristics and simulations that were performed to determine the nature of the response to controlled variations in the input are described the results of the simulations are included and a change that makes the response of the model more closely represent the observed characteristics of evapotranspiration and profile changes for dry soil conditions is examined.

LS-DYNA Implementation of Polymer Matrix Composite Model Under High Strain Rate Impact

NASA Technical Reports Server (NTRS)

Zheng, Xia-Hua; Goldberg, Robert K.; Binienda, Wieslaw K.; Roberts, Gary D.

2003-01-01

A recently developed constitutive model is implemented into LS-DYNA as a user defined material model (UMAT) to characterize the nonlinear strain rate dependent behavior of polymers. By utilizing this model within a micromechanics technique based on a laminate analogy, an algorithm to analyze the strain rate dependent, nonlinear deformation of a fiber reinforced polymer matrix composite is then developed as a UMAT to simulate the response of these composites under high strain rate impact. The models are designed for shell elements in order to ensure computational efficiency. Experimental and numerical stress-strain curves are compared for two representative polymers and a representative polymer matrix composite, with the analytical model predicting the experimental response reasonably well.

Runway exit designs for capacity improvement demonstrations. Phase 2: Computer model development

NASA Technical Reports Server (NTRS)

Trani, A. A.; Hobeika, A. G.; Kim, B. J.; Nunna, V.; Zhong, C.

1992-01-01

The development is described of a computer simulation/optimization model to: (1) estimate the optimal locations of existing and proposed runway turnoffs; and (2) estimate the geometric design requirements associated with newly developed high speed turnoffs. The model described, named REDIM 2.0, represents a stand alone application to be used by airport planners, designers, and researchers alike to estimate optimal turnoff locations. The main procedures are described in detail which are implemented in the software package and possible applications are illustrated when using 6 major runway scenarios. The main output of the computer program is the estimation of the weighted average runway occupancy time for a user defined aircraft population. Also, the location and geometric characteristics of each turnoff are provided to the user.

Computational effects of inlet representation on powered hypersonic, airbreathing models

NASA Technical Reports Server (NTRS)

Huebner, Lawrence D.; Tatum, Kenneth E.

1993-01-01

Computational results are presented to illustrate the powered aftbody effects of representing the scramjet inlet on a generic hypersonic vehicle with a fairing, to divert the external flow, as compared to an operating flow-through scramjet inlet. This study is pertinent to the ground testing of hypersonic, airbreathing models employing scramjet exhaust flow simulation in typical small-scale hypersonic wind tunnels. The comparison of aftbody effects due to inlet representation is well-suited for computational study, since small model size typically precludes the ability to ingest flow into the inlet and perform exhaust simulation at the same time. Two-dimensional analysis indicates that, although flowfield differences exist for the two types of inlet representations, little, if any, difference in surface aftbody characteristics is caused by fairing over the inlet.

Modeling the dynamics of multipartite quantum systems created departing from two-level systems using general local and non-local interactions

NASA Astrophysics Data System (ADS)

Delgado, Francisco

2017-12-01

Quantum information is an emergent area merging physics, mathematics, computer science and engineering. To reach its technological goals, it is requiring adequate approaches to understand how to combine physical restrictions, computational approaches and technological requirements to get functional universal quantum information processing. This work presents the modeling and the analysis of certain general type of Hamiltonian representing several physical systems used in quantum information and establishing a dynamics reduction in a natural grammar for bipartite processing based on entangled states.

What language is the language-ready brain ready for?. Comment on "Towards a Computational Comparative Neuroprimatology: Framing the language-ready brain" by Michael A. Arbib

NASA Astrophysics Data System (ADS)

Croft, William

2016-03-01

Arbib's computational comparative neuroprimatology [1] is a welcome model for cognitive linguists, that is, linguists who ground their models of language in human cognition and language use in social interaction. Arbib argues that language emerged via biological and cultural coevolution [1]; linguistic knowledge is represented by constructions, and semantic representations of linguistic constructions are grounded in embodied perceptual-motor schemas (the mirror system hypothesis). My comments offer some refinements from a linguistic point of view.

Reaction Mechanism Generator: Automatic construction of chemical kinetic mechanisms

NASA Astrophysics Data System (ADS)

Gao, Connie W.; Allen, Joshua W.; Green, William H.; West, Richard H.

2016-06-01

Reaction Mechanism Generator (RMG) constructs kinetic models composed of elementary chemical reaction steps using a general understanding of how molecules react. Species thermochemistry is estimated through Benson group additivity and reaction rate coefficients are estimated using a database of known rate rules and reaction templates. At its core, RMG relies on two fundamental data structures: graphs and trees. Graphs are used to represent chemical structures, and trees are used to represent thermodynamic and kinetic data. Models are generated using a rate-based algorithm which excludes species from the model based on reaction fluxes. RMG can generate reaction mechanisms for species involving carbon, hydrogen, oxygen, sulfur, and nitrogen. It also has capabilities for estimating transport and solvation properties, and it automatically computes pressure-dependent rate coefficients and identifies chemically-activated reaction paths. RMG is an object-oriented program written in Python, which provides a stable, robust programming architecture for developing an extensible and modular code base with a large suite of unit tests. Computationally intensive functions are cythonized for speed improvements.

Bridging the Knowledge Gaps between Richards' Equation and Budyko Equation

NASA Astrophysics Data System (ADS)

Wang, D.

2017-12-01

The empirical Budyko equation represents the partitioning of mean annual precipitation into evaporation and runoff. Richards' equation, based on Darcy's law, represents the movement of water in unsaturated soils. The linkage between Richards' equation and Budyko equation is presented by invoking the empirical Soil Conservation Service curve number (SCS-CN) model for computing surface runoff at the event-scale. The basis of the SCS-CN method is the proportionality relationship, i.e., the ratio of continuing abstraction to its potential is equal to the ratio of surface runoff to its potential value. The proportionality relationship can be derived from the Richards' equation for computing infiltration excess and saturation excess models at the catchment scale. Meanwhile, the generalized proportionality relationship is demonstrated as the common basis of SCS-CN method, monthly "abcd" model, and Budyko equation. Therefore, the linkage between Darcy's law and the emergent pattern of mean annual water balance at the catchment scale is presented through the proportionality relationship.

Progress Toward a Multidimensional Representation of Mortar Interior Ballistics

DTIC Science & Technology

2009-06-01

reached, act as rigid bodies within the chamber. Using computational particles to represent the propellant charge permits a host of modeling features...walls are represented by special Lagrange particles, which remain impermeable (hence the charges act as rigid bodies ) until a specified wall...composition, and table 2 provides the thermochemical calculations done using Cheetah (14), the basis of which is discussed in Schmidt and Nusca (12

Program for computer aided reliability estimation

NASA Technical Reports Server (NTRS)

Mathur, F. P. (Inventor)

1972-01-01

A computer program for estimating the reliability of self-repair and fault-tolerant systems with respect to selected system and mission parameters is presented. The computer program is capable of operation in an interactive conversational mode as well as in a batch mode and is characterized by maintenance of several general equations representative of basic redundancy schemes in an equation repository. Selected reliability functions applicable to any mathematical model formulated with the general equations, used singly or in combination with each other, are separately stored. One or more system and/or mission parameters may be designated as a variable. Data in the form of values for selected reliability functions is generated in a tabular or graphic format for each formulated model.

An Eye Model for Computational Dosimetry Using A Multi-Scale Voxel Phantom

NASA Astrophysics Data System (ADS)

Caracappa, Peter F.; Rhodes, Ashley; Fiedler, Derek

2014-06-01

The lens of the eye is a radiosensitive tissue with cataract formation being the major concern. Recently reduced recommended dose limits to the lens of the eye have made understanding the dose to this tissue of increased importance. Due to memory limitations, the voxel resolution of computational phantoms used for radiation dose calculations is too large to accurately represent the dimensions of the eye. A revised eye model is constructed using physiological data for the dimensions of radiosensitive tissues, and is then transformed into a high-resolution voxel model. This eye model is combined with an existing set of whole body models to form a multi-scale voxel phantom, which is used with the MCNPX code to calculate radiation dose from various exposure types. This phantom provides an accurate representation of the radiation transport through the structures of the eye. Two alternate methods of including a high-resolution eye model within an existing whole body model are developed. The accuracy and performance of each method is compared against existing computational phantoms.

Towards cortex sized artificial neural systems.

PubMed

Johansson, Christopher; Lansner, Anders

2007-01-01

We propose, implement, and discuss an abstract model of the mammalian neocortex. This model is instantiated with a sparse recurrently connected neural network that has spiking leaky integrator units and continuous Hebbian learning. First we study the structure, modularization, and size of neocortex, and then we describe a generic computational model of the cortical circuitry. A characterizing feature of the model is that it is based on the modularization of neocortex into hypercolumns and minicolumns. Both a floating- and fixed-point arithmetic implementation of the model are presented along with simulation results. We conclude that an implementation on a cluster computer is not communication but computation bounded. A mouse and rat cortex sized version of our model executes in 44% and 23% of real-time respectively. Further, an instance of the model with 1.6 x 10(6) units and 2 x 10(11) connections performed noise reduction and pattern completion. These implementations represent the current frontier of large-scale abstract neural network simulations in terms of network size and running speed.

Interactive evolution of camouflage.

PubMed

Reynolds, Craig

2011-01-01

This article presents an abstract computation model of the evolution of camouflage in nature. The 2D model uses evolved textures for prey, a background texture representing the environment, and a visual predator. A human observer, acting as the predator, is shown a cohort of 10 evolved textures overlaid on the background texture. The observer clicks on the five most conspicuous prey to remove ("eat") them. These lower-fitness textures are removed from the population and replaced with newly bred textures. Biological morphogenesis is represented in this model by procedural texture synthesis. Nested expressions of generators and operators form a texture description language. Natural evolution is represented by genetic programming (GP), a variant of the genetic algorithm. GP searches the space of texture description programs for those that appear least conspicuous to the predator.

Modeling of Atmospheric Turbulence as Disturbances for Control Design and Evaluation of High Speed Propulsion Systems

NASA Technical Reports Server (NTRS)

Kopasakis, George

2010-01-01

Atmospheric turbulence models are necessary for the design of both inlet/engine and flight controls, as well as for studying integrated couplings between the propulsion and the vehicle structural dynamics for supersonic vehicles. Models based on the Kolmogorov spectrum have been previously utilized to model atmospheric turbulence. In this paper, a more accurate model is developed in its representative fractional order form, typical of atmospheric disturbances. This is accomplished by first scaling the Kolmogorov spectral to convert them into finite energy von Karman forms. Then a generalized formulation is developed in frequency domain for these scale models that approximates the fractional order with the products of first order transfer functions. Given the parameters describing the conditions of atmospheric disturbances and utilizing the derived formulations, the objective is to directly compute the transfer functions that describe these disturbances for acoustic velocity, temperature, pressure and density. Utilizing these computed transfer functions and choosing the disturbance frequencies of interest, time domain simulations of these representative atmospheric turbulences can be developed. These disturbance representations are then used to first develop considerations for disturbance rejection specifications for the design of the propulsion control system, and then to evaluate the closed-loop performance.

Computational neuroanatomy: ontology-based representation of neural components and connectivity

PubMed Central

Rubin, Daniel L; Talos, Ion-Florin; Halle, Michael; Musen, Mark A; Kikinis, Ron

2009-01-01

Background 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. Results 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. Conclusion 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. PMID:19208191

Computational Planning in Facial Surgery.

PubMed

Zachow, Stefan

2015-10-01

This article reflects the research of the last two decades in computational planning for cranio-maxillofacial surgery. Model-guided and computer-assisted surgery planning has tremendously developed due to ever increasing computational capabilities. Simulators for education, planning, and training of surgery are often compared with flight simulators, where maneuvers are also trained to reduce a possible risk of failure. Meanwhile, digital patient models can be derived from medical image data with astonishing accuracy and thus can serve for model surgery to derive a surgical template model that represents the envisaged result. Computerized surgical planning approaches, however, are often still explorative, meaning that a surgeon tries to find a therapeutic concept based on his or her expertise using computational tools that are mimicking real procedures. Future perspectives of an improved computerized planning may be that surgical objectives will be generated algorithmically by employing mathematical modeling, simulation, and optimization techniques. Planning systems thus act as intelligent decision support systems. However, surgeons can still use the existing tools to vary the proposed approach, but they mainly focus on how to transfer objectives into reality. Such a development may result in a paradigm shift for future surgery planning. Thieme Medical Publishers 333 Seventh Avenue, New York, NY 10001, USA.

A novel VLES model accounting for near-wall turbulence: physical rationale and applications

NASA Astrophysics Data System (ADS)

Jakirlic, Suad; Chang, Chi-Yao; Kutej, Lukas; Tropea, Cameron

2014-11-01

A novel VLES (Very Large Eddy Simulation) model whose non-resolved residual turbulence is modelled by using an advanced near-wall eddy-viscosity model accounting for the near-wall Reynolds stress anisotropy influence on the turbulence viscosity by modelling appropriately the velocity scale in the relevant formulation (Hanjalic et al., 2004) is proposed. It represents a variable resolution Hybrid LES/RANS (Reynolds-Averaged Navier-Stokes) computational scheme enabling a seamless transition from RANS to LES depending on the ratio of the turbulent viscosities associated with the unresolved scales corresponding to the LES cut-off and the `unsteady' scales pertinent to the turbulent properties of the VLES residual motion, which varies within the flow domain. The VLES method is validated interactively in the process of the model derivation by computing fully-developed flow in a plane channel (important representative of wall-bounded flows, underlying the log-law for the velocity field, for studying near-wall Reynolds stress anisotropy) and a separating flow over a periodic arrangement of smoothly-contoured 2-D hills. The model performances are also assessed in capturing the natural decay of the homogeneous isotropic turbulence. The model is finally applied to swirling flow in a vortex tube, flow in an IC-engine configuration and flow past a realistic car model.

Reliable low precision simulations in land surface models

NASA Astrophysics Data System (ADS)

Dawson, Andrew; Düben, Peter D.; MacLeod, David A.; Palmer, Tim N.

2017-12-01

Weather and climate models must continue to increase in both resolution and complexity in order that forecasts become more accurate and reliable. Moving to lower numerical precision may be an essential tool for coping with the demand for ever increasing model complexity in addition to increasing computing resources. However, there have been some concerns in the weather and climate modelling community over the suitability of lower precision for climate models, particularly for representing processes that change very slowly over long time-scales. These processes are difficult to represent using low precision due to time increments being systematically rounded to zero. Idealised simulations are used to demonstrate that a model of deep soil heat diffusion that fails when run in single precision can be modified to work correctly using low precision, by splitting up the model into a small higher precision part and a low precision part. This strategy retains the computational benefits of reduced precision whilst preserving accuracy. This same technique is also applied to a full complexity land surface model, resulting in rounding errors that are significantly smaller than initial condition and parameter uncertainties. Although lower precision will present some problems for the weather and climate modelling community, many of the problems can likely be overcome using a straightforward and physically motivated application of reduced precision.

Computing chemical organizations in biological networks.

PubMed

Centler, Florian; Kaleta, Christoph; di Fenizio, Pietro Speroni; Dittrich, Peter

2008-07-15

Novel techniques are required to analyze computational models of intracellular processes as they increase steadily in size and complexity. The theory of chemical organizations has recently been introduced as such a technique that links the topology of biochemical reaction network models to their dynamical repertoire. The network is decomposed into algebraically closed and self-maintaining subnetworks called organizations. They form a hierarchy representing all feasible system states including all steady states. We present three algorithms to compute the hierarchy of organizations for network models provided in SBML format. Two of them compute the complete organization hierarchy, while the third one uses heuristics to obtain a subset of all organizations for large models. While the constructive approach computes the hierarchy starting from the smallest organization in a bottom-up fashion, the flux-based approach employs self-maintaining flux distributions to determine organizations. A runtime comparison on 16 different network models of natural systems showed that none of the two exhaustive algorithms is superior in all cases. Studying a 'genome-scale' network model with 762 species and 1193 reactions, we demonstrate how the organization hierarchy helps to uncover the model structure and allows to evaluate the model's quality, for example by detecting components and subsystems of the model whose maintenance is not explained by the model. All data and a Java implementation that plugs into the Systems Biology Workbench is available from http://www.minet.uni-jena.de/csb/prj/ot/tools.

On a self-consistent representation of earth models, with an application to the computing of internal flattening

NASA Astrophysics Data System (ADS)

Denis, C.; Ibrahim, A.

Self-consistent parametric earth models are discussed in terms of a flexible numerical code. The density profile of each layer is represented as a polynomial, and figures of gravity, mass, mean density, hydrostatic pressure, and moment of inertia are derived. The polynomial representation also allows computation of the first order flattening of the internal strata of some models, using a Gauss-Legendre quadrature with a rapidly converging iteration technique. Agreement with measured geophysical data is obtained, and algorithm for estimation of the geometric flattening for any equidense surface identified by its fractional radius is developed. The program can also be applied in studies of planetary and stellar models.

Mathematical and Computational Modeling for Tumor Virotherapy with Mediated Immunity.

PubMed

Timalsina, Asim; Tian, Jianjun Paul; Wang, Jin

2017-08-01

We propose a new mathematical modeling framework based on partial differential equations to study tumor virotherapy with mediated immunity. The model incorporates both innate and adaptive immune responses and represents the complex interaction among tumor cells, oncolytic viruses, and immune systems on a domain with a moving boundary. Using carefully designed computational methods, we conduct extensive numerical simulation to the model. The results allow us to examine tumor development under a wide range of settings and provide insight into several important aspects of the virotherapy, including the dependence of the efficacy on a few key parameters and the delay in the adaptive immunity. Our findings also suggest possible ways to improve the virotherapy for tumor treatment.

Phenotypic models of evolution and development: geometry as destiny.

PubMed

François, Paul; Siggia, Eric D

2012-12-01

Quantitative models of development that consider all relevant genes typically are difficult to fit to embryonic data alone and have many redundant parameters. Computational evolution supplies models of phenotype with relatively few variables and parameters that allows the patterning dynamics to be reduced to a geometrical picture for how the state of a cell moves. The clock and wavefront model, that defines the phenotype of somitogenesis, can be represented as a sequence of two discrete dynamical transitions (bifurcations). The expression-time to space map for Hox genes and the posterior dominance rule are phenotypes that naturally follow from computational evolution without considering the genetics of Hox regulation. Copyright © 2012 Elsevier Ltd. All rights reserved.

PRACE - The European HPC Infrastructure

NASA Astrophysics Data System (ADS)

Stadelmeyer, Peter

2014-05-01

The mission of PRACE (Partnership for Advanced Computing in Europe) is to enable high impact scientific discovery and engineering research and development across all disciplines to enhance European competitiveness for the benefit of society. PRACE seeks to realize this mission by offering world class computing and data management resources and services through a peer review process. This talk gives a general overview about PRACE and the PRACE research infrastructure (RI). PRACE is established as an international not-for-profit association and the PRACE RI is a pan-European supercomputing infrastructure which offers access to computing and data management resources at partner sites distributed throughout Europe. Besides a short summary about the organization, history, and activities of PRACE, it is explained how scientists and researchers from academia and industry from around the world can access PRACE systems and which education and training activities are offered by PRACE. The overview also contains a selection of PRACE contributions to societal challenges and ongoing activities. Examples of the latter are beside others petascaling, application benchmark suite, best practice guides for efficient use of key architectures, application enabling / scaling, new programming models, and industrial applications. The Partnership for Advanced Computing in Europe (PRACE) is an international non-profit association with its seat in Brussels. The PRACE Research Infrastructure provides a persistent world-class high performance computing service for scientists and researchers from academia and industry in Europe. The computer systems and their operations accessible through PRACE are provided by 4 PRACE members (BSC representing Spain, CINECA representing Italy, GCS representing Germany and GENCI representing France). The Implementation Phase of PRACE receives funding from the EU's Seventh Framework Programme (FP7/2007-2013) under grant agreements RI-261557, RI-283493 and RI-312763. For more information, see www.prace-ri.eu

Agent-based dynamic knowledge representation of Pseudomonas aeruginosa virulence activation in the stressed gut: Towards characterizing host-pathogen interactions in gut-derived sepsis.

PubMed

Seal, John B; Alverdy, John C; Zaborina, Olga; An, Gary

2011-09-19

There is a growing realization that alterations in host-pathogen interactions (HPI) can generate disease phenotypes without pathogen invasion. The gut represents a prime region where such HPI can arise and manifest. Under normal conditions intestinal microbial communities maintain a stable, mutually beneficial ecosystem. However, host stress can lead to changes in environmental conditions that shift the nature of the host-microbe dialogue, resulting in escalation of virulence expression, immune activation and ultimately systemic disease. Effective modulation of these dynamics requires the ability to characterize the complexity of the HPI, and dynamic computational modeling can aid in this task. Agent-based modeling is a computational method that is suited to representing spatially diverse, dynamical systems. We propose that dynamic knowledge representation of gut HPI with agent-based modeling will aid in the investigation of the pathogenesis of gut-derived sepsis. An agent-based model (ABM) of virulence regulation in Pseudomonas aeruginosa was developed by translating bacterial and host cell sense-and-response mechanisms into behavioral rules for computational agents and integrated into a virtual environment representing the host-microbe interface in the gut. The resulting gut milieu ABM (GMABM) was used to: 1) investigate a potential clinically relevant laboratory experimental condition not yet developed--i.e. non-lethal transient segmental intestinal ischemia, 2) examine the sufficiency of existing hypotheses to explain experimental data--i.e. lethality in a model of major surgical insult and stress, and 3) produce behavior to potentially guide future experimental design--i.e. suggested sample points for a potential laboratory model of non-lethal transient intestinal ischemia. Furthermore, hypotheses were generated to explain certain discrepancies between the behaviors of the GMABM and biological experiments, and new investigatory avenues proposed to test those hypotheses. Agent-based modeling can account for the spatio-temporal dynamics of an HPI, and, even when carried out with a relatively high degree of abstraction, can be useful in the investigation of system-level consequences of putative mechanisms operating at the individual agent level. We suggest that an integrated and iterative heuristic relationship between computational modeling and more traditional laboratory and clinical investigations, with a focus on identifying useful and sufficient degrees of abstraction, will enhance the efficiency and translational productivity of biomedical research.

Agent-based dynamic knowledge representation of Pseudomonas aeruginosa virulence activation in the stressed gut: Towards characterizing host-pathogen interactions in gut-derived sepsis

PubMed Central

2011-01-01

Background There is a growing realization that alterations in host-pathogen interactions (HPI) can generate disease phenotypes without pathogen invasion. The gut represents a prime region where such HPI can arise and manifest. Under normal conditions intestinal microbial communities maintain a stable, mutually beneficial ecosystem. However, host stress can lead to changes in environmental conditions that shift the nature of the host-microbe dialogue, resulting in escalation of virulence expression, immune activation and ultimately systemic disease. Effective modulation of these dynamics requires the ability to characterize the complexity of the HPI, and dynamic computational modeling can aid in this task. Agent-based modeling is a computational method that is suited to representing spatially diverse, dynamical systems. We propose that dynamic knowledge representation of gut HPI with agent-based modeling will aid in the investigation of the pathogenesis of gut-derived sepsis. Methodology/Principal Findings An agent-based model (ABM) of virulence regulation in Pseudomonas aeruginosa was developed by translating bacterial and host cell sense-and-response mechanisms into behavioral rules for computational agents and integrated into a virtual environment representing the host-microbe interface in the gut. The resulting gut milieu ABM (GMABM) was used to: 1) investigate a potential clinically relevant laboratory experimental condition not yet developed - i.e. non-lethal transient segmental intestinal ischemia, 2) examine the sufficiency of existing hypotheses to explain experimental data - i.e. lethality in a model of major surgical insult and stress, and 3) produce behavior to potentially guide future experimental design - i.e. suggested sample points for a potential laboratory model of non-lethal transient intestinal ischemia. Furthermore, hypotheses were generated to explain certain discrepancies between the behaviors of the GMABM and biological experiments, and new investigatory avenues proposed to test those hypotheses. Conclusions/Significance Agent-based modeling can account for the spatio-temporal dynamics of an HPI, and, even when carried out with a relatively high degree of abstraction, can be useful in the investigation of system-level consequences of putative mechanisms operating at the individual agent level. We suggest that an integrated and iterative heuristic relationship between computational modeling and more traditional laboratory and clinical investigations, with a focus on identifying useful and sufficient degrees of abstraction, will enhance the efficiency and translational productivity of biomedical research. PMID:21929759

A computational model of amoeboid cell swimming in unbounded medium and through obstacles

NASA Astrophysics Data System (ADS)

Campbell, Eric; Bagchi, Prosenjit

2017-11-01

Pseudopod-driven motility is commonly observed in eukaryotic cells. Pseudopodia are actin-rich protrusions of the cellular membrane which extend, bifurcate, and retract in cycles resulting in amoeboid locomotion. While actin-myosin interactions are responsible for pseudopod generation, cell deformability is crucial concerning pseudopod dynamics. Because pseudopodia are highly dynamic, cells are capable of deforming into complex shapes over time. Pseudopod-driven motility represents a multiscale and complex process, coupling cell deformation, protein biochemistry, and cytoplasmic and extracellular fluid motion. In this work, we present a 3D computational model of amoeboid cell swimming in an extracellular medium (ECM). The ECM is represented as a fluid medium with or without obstacles. The model integrates full cell deformation, a coarse-grain reaction-diffusion system for protein dynamics, and fluid interaction. Our model generates pseudopodia which bifurcate and retract, showing remarkable similarity to experimental observations. Influence of cell deformation, protein diffusivity and cytoplasmic viscosity on the swimming speed is analyzed in terms of altered pseudopod dynamics. Insights into the role of matrix porosity and obstacle size on cell motility are also provided. Funded by NSF CBET 1438255.

Requirements for Large Eddy Simulation Computations of Variable-Speed Power Turbine Flows

NASA Technical Reports Server (NTRS)

Ameri, Ali A.

2016-01-01

Variable-speed power turbines (VSPTs) operate at low Reynolds numbers and with a wide range of incidence angles. Transition, separation, and the relevant physics leading to them are important to VSPT flow. Higher fidelity tools such as large eddy simulation (LES) may be needed to resolve the flow features necessary for accurate predictive capability and design of such turbines. A survey conducted for this report explores the requirements for such computations. The survey is limited to the simulation of two-dimensional flow cases and endwalls are not included. It suggests that a grid resolution necessary for this type of simulation to accurately represent the physics may be of the order of Delta(x)+=45, Delta(x)+ =2 and Delta(z)+=17. Various subgrid-scale (SGS) models have been used and except for the Smagorinsky model, all seem to perform well and in some instances the simulations worked well without SGS modeling. A method of specifying the inlet conditions such as synthetic eddy modeling (SEM) is necessary to correctly represent the inlet conditions.

Brute force meets Bruno force in parameter optimisation: introduction of novel constraints for parameter accuracy improvement by symbolic computation.

PubMed

Nakatsui, M; Horimoto, K; Lemaire, F; Ürgüplü, A; Sedoglavic, A; Boulier, F

2011-09-01

Recent remarkable advances in computer performance have enabled us to estimate parameter values by the huge power of numerical computation, the so-called 'Brute force', resulting in the high-speed simultaneous estimation of a large number of parameter values. However, these advancements have not been fully utilised to improve the accuracy of parameter estimation. Here the authors review a novel method for parameter estimation using symbolic computation power, 'Bruno force', named after Bruno Buchberger, who found the Gröbner base. In the method, the objective functions combining the symbolic computation techniques are formulated. First, the authors utilise a symbolic computation technique, differential elimination, which symbolically reduces an equivalent system of differential equations to a system in a given model. Second, since its equivalent system is frequently composed of large equations, the system is further simplified by another symbolic computation. The performance of the authors' method for parameter accuracy improvement is illustrated by two representative models in biology, a simple cascade model and a negative feedback model in comparison with the previous numerical methods. Finally, the limits and extensions of the authors' method are discussed, in terms of the possible power of 'Bruno force' for the development of a new horizon in parameter estimation.

Method for evaluation of predictive models of microwave ablation via post-procedural clinical imaging

NASA Astrophysics Data System (ADS)

Collins, Jarrod A.; Brown, Daniel; Kingham, T. Peter; Jarnagin, William R.; Miga, Michael I.; Clements, Logan W.

2015-03-01

Development of a clinically accurate predictive model of microwave ablation (MWA) procedures would represent a significant advancement and facilitate an implementation of patient-specific treatment planning to achieve optimal probe placement and ablation outcomes. While studies have been performed to evaluate predictive models of MWA, the ability to quantify the performance of predictive models via clinical data has been limited to comparing geometric measurements of the predicted and actual ablation zones. The accuracy of placement, as determined by the degree of spatial overlap between ablation zones, has not been achieved. In order to overcome this limitation, a method of evaluation is proposed where the actual location of the MWA antenna is tracked and recorded during the procedure via a surgical navigation system. Predictive models of the MWA are then computed using the known position of the antenna within the preoperative image space. Two different predictive MWA models were used for the preliminary evaluation of the proposed method: (1) a geometric model based on the labeling associated with the ablation antenna and (2) a 3-D finite element method based computational model of MWA using COMSOL. Given the follow-up tomographic images that are acquired at approximately 30 days after the procedure, a 3-D surface model of the necrotic zone was generated to represent the true ablation zone. A quantification of the overlap between the predicted ablation zones and the true ablation zone was performed after a rigid registration was computed between the pre- and post-procedural tomograms. While both model show significant overlap with the true ablation zone, these preliminary results suggest a slightly higher degree of overlap with the geometric model.

Desiderata for computable representations of electronic health records-driven phenotype algorithms

PubMed Central

Mo, Huan; Thompson, William K; Rasmussen, Luke V; Pacheco, Jennifer A; Jiang, Guoqian; Kiefer, Richard; Zhu, Qian; Xu, Jie; Montague, Enid; Carrell, David S; Lingren, Todd; Mentch, Frank D; Ni, Yizhao; Wehbe, Firas H; Peissig, Peggy L; Tromp, Gerard; Larson, Eric B; Chute, Christopher G; Pathak, Jyotishman; Speltz, Peter; Kho, Abel N; Jarvik, Gail P; Bejan, Cosmin A; Williams, Marc S; Borthwick, Kenneth; Kitchner, Terrie E; Roden, Dan M; Harris, Paul A

2015-01-01

Background Electronic health records (EHRs) are increasingly used for clinical and translational research through the creation of phenotype algorithms. Currently, phenotype algorithms are most commonly represented as noncomputable descriptive documents and knowledge artifacts that detail the protocols for querying diagnoses, symptoms, procedures, medications, and/or text-driven medical concepts, and are primarily meant for human comprehension. We present desiderata for developing a computable phenotype representation model (PheRM). Methods A team of clinicians and informaticians reviewed common features for multisite phenotype algorithms published in PheKB.org and existing phenotype representation platforms. We also evaluated well-known diagnostic criteria and clinical decision-making guidelines to encompass a broader category of algorithms. Results We propose 10 desired characteristics for a flexible, computable PheRM: (1) structure clinical data into queryable forms; (2) recommend use of a common data model, but also support customization for the variability and availability of EHR data among sites; (3) support both human-readable and computable representations of phenotype algorithms; (4) implement set operations and relational algebra for modeling phenotype algorithms; (5) represent phenotype criteria with structured rules; (6) support defining temporal relations between events; (7) use standardized terminologies and ontologies, and facilitate reuse of value sets; (8) define representations for text searching and natural language processing; (9) provide interfaces for external software algorithms; and (10) maintain backward compatibility. Conclusion A computable PheRM is needed for true phenotype portability and reliability across different EHR products and healthcare systems. These desiderata are a guide to inform the establishment and evolution of EHR phenotype algorithm authoring platforms and languages. PMID:26342218

Discrete-time model reduction in limited frequency ranges

NASA Technical Reports Server (NTRS)

Horta, Lucas G.; Juang, Jer-Nan; Longman, Richard W.

1991-01-01

A mathematical formulation for model reduction of discrete time systems such that the reduced order model represents the system in a particular frequency range is discussed. The algorithm transforms the full order system into balanced coordinates using frequency weighted discrete controllability and observability grammians. In this form a criterion is derived to guide truncation of states based on their contribution to the frequency range of interest. Minimization of the criterion is accomplished without need for numerical optimization. Balancing requires the computation of discrete frequency weighted grammians. Close form solutions for the computation of frequency weighted grammians are developed. Numerical examples are discussed to demonstrate the algorithm.

Using a Large Scale Computational Model to Study the Effect of Longitudinal and Radial Electrical Coupling in the Cochlea

NASA Astrophysics Data System (ADS)

Mistrík, Pavel; Ashmore, Jonathan

2009-02-01

We describe a large scale computational model of electrical current flow in the cochlea which is constructed by a flexible Modified Nodal Analysis algorithm to incorporate electrical components representing hair cells and the intercellular radial and longitudinal current flow. The model is used as a laboratory to study the effects of changing longitudinal gap junctional coupling, and shows the way in which cochlear microphonic spreads and tuning is affected. The process for incorporating mechanical longitudinal coupling and feedback is described. We find a difference in tuning and attenuation depending on whether longitudinal or radial couplings are altered.

Modeling the spatio-temporal variability in subsurface thermal regimes across a low-relief polygonal tundra landscape: Modeling Archive

DOE Data Explorer

Kumar, Jitendra; Collier, Nathan; Bisht, Gautam; Mills, Richard T.; Thornton, Peter E.; Iversen, Colleen M.; Romanovsky, Vladimir

2016-01-27

This Modeling Archive is in support of an NGEE Arctic discussion paper under review and available at http://www.the-cryosphere-discuss.net/tc-2016-29/. Vast carbon stocks stored in permafrost soils of Arctic tundra are under risk of release to atmosphere under warming climate. Ice--wedge polygons in the low-gradient polygonal tundra create a complex mosaic of microtopographic features. The microtopography plays a critical role in regulating the fine scale variability in thermal and hydrological regimes in the polygonal tundra landscape underlain by continuous permafrost. Modeling of thermal regimes of this sensitive ecosystem is essential for understanding the landscape behaviour under current as well as changing climate. We present here an end-to-end effort for high resolution numerical modeling of thermal hydrology at real-world field sites, utilizing the best available data to characterize and parameterize the models. We develop approaches to model the thermal hydrology of polygonal tundra and apply them at four study sites at Barrow, Alaska spanning across low to transitional to high-centered polygon and representative of broad polygonal tundra landscape. A multi--phase subsurface thermal hydrology model (PFLOTRAN) was developed and applied to study the thermal regimes at four sites. Using high resolution LiDAR DEM, microtopographic features of the landscape were characterized and represented in the high resolution model mesh. Best available soil data from field observations and literature was utilized to represent the complex hetogeneous subsurface in the numerical model. This data collection provides the complete set of input files, forcing data sets and computational meshes for simulations using PFLOTRAN for four sites at Barrow Environmental Observatory. It also document the complete computational workflow for this modeling study to allow verification, reproducibility and follow up studies.

Application of the MacCormack scheme to overland flow routing for high-spatial resolution distributed hydrological model

NASA Astrophysics Data System (ADS)

Zhang, Ling; Nan, Zhuotong; Liang, Xu; Xu, Yi; Hernández, Felipe; Li, Lianxia

2018-03-01

Although process-based distributed hydrological models (PDHMs) are evolving rapidly over the last few decades, their extensive applications are still challenged by the computational expenses. This study attempted, for the first time, to apply the numerically efficient MacCormack algorithm to overland flow routing in a representative high-spatial resolution PDHM, i.e., the distributed hydrology-soil-vegetation model (DHSVM), in order to improve its computational efficiency. The analytical verification indicates that both the semi and full versions of the MacCormack schemes exhibit robust numerical stability and are more computationally efficient than the conventional explicit linear scheme. The full-version outperforms the semi-version in terms of simulation accuracy when a same time step is adopted. The semi-MacCormack scheme was implemented into DHSVM (version 3.1.2) to solve the kinematic wave equations for overland flow routing. The performance and practicality of the enhanced DHSVM-MacCormack model was assessed by performing two groups of modeling experiments in the Mercer Creek watershed, a small urban catchment near Bellevue, Washington. The experiments show that DHSVM-MacCormack can considerably improve the computational efficiency without compromising the simulation accuracy of the original DHSVM model. More specifically, with the same computational environment and model settings, the computational time required by DHSVM-MacCormack can be reduced to several dozen minutes for a simulation period of three months (in contrast with one day and a half by the original DHSVM model) without noticeable sacrifice of the accuracy. The MacCormack scheme proves to be applicable to overland flow routing in DHSVM, which implies that it can be coupled into other PHDMs for watershed routing to either significantly improve their computational efficiency or to make the kinematic wave routing for high resolution modeling computational feasible.

Modeling of Biomaterials for Non-Linear Optical Applications.

DTIC Science & Technology

1995-01-01

Computational chemistry methods were used to explore the molecular conformations of a variety of optoelectronic biopolymers -spiropyran chromophore...investigated. These polypeptides are compositionally representative of the naturally occurring amino acid sequences in silk and wool, having respectively

Inspections of Interstate Commercial Vehicles 1994

DOT National Transportation Integrated Search

1974-01-01

The objective of this effort was to complete the development of the computer simulation model SCOT (Simulation of Corridor Traffic) designed to represent traffic flow on an urban grid-freeway integrated highway system by simulating an existing system...

A Cerebellar-model Associative Memory as a Generalized Random-access Memory

NASA Technical Reports Server (NTRS)

Kanerva, Pentti

1989-01-01

A versatile neural-net model is explained in terms familiar to computer scientists and engineers. It is called the sparse distributed memory, and it is a random-access memory for very long words (for patterns with thousands of bits). Its potential utility is the result of several factors: (1) a large pattern representing an object or a scene or a moment can encode a large amount of information about what it represents; (2) this information can serve as an address to the memory, and it can also serve as data; (3) the memory is noise tolerant--the information need not be exact; (4) the memory can be made arbitrarily large and hence an arbitrary amount of information can be stored in it; and (5) the architecture is inherently parallel, allowing large memories to be fast. Such memories can become important components of future computers.

X-ray computed tomography library of shark anatomy and lower jaw surface models.

PubMed

Kamminga, Pepijn; De Bruin, Paul W; Geleijns, Jacob; Brazeau, Martin D

2017-04-11

The cranial diversity of sharks reflects disparate biomechanical adaptations to feeding. In order to be able to investigate and better understand the ecomorphology of extant shark feeding systems, we created a x-ray computed tomography (CT) library of shark cranial anatomy with three-dimensional (3D) lower jaw reconstructions. This is used to examine and quantify lower jaw disparity in extant shark species in a separate study. The library is divided in a dataset comprised of medical CT scans of 122 sharks (Selachimorpha, Chondrichthyes) representing 73 extant species, including digitized morphology of entire shark specimens. This CT dataset and additional data provided by other researchers was used to reconstruct a second dataset containing 3D models of the left lower jaw for 153 individuals representing 94 extant shark species. These datasets form an extensive anatomical record of shark skeletal anatomy, necessary for comparative morphological, biomechanical, ecological and phylogenetic studies.

Experimental realization of a one-way quantum computer algorithm solving Simon's problem.

PubMed

Tame, M S; Bell, B A; Di Franco, C; Wadsworth, W J; Rarity, J G

2014-11-14

We report an experimental demonstration of a one-way implementation of a quantum algorithm solving Simon's problem-a black-box period-finding problem that has an exponential gap between the classical and quantum runtime. Using an all-optical setup and modifying the bases of single-qubit measurements on a five-qubit cluster state, key representative functions of the logical two-qubit version's black box can be queried and solved. To the best of our knowledge, this work represents the first experimental realization of the quantum algorithm solving Simon's problem. The experimental results are in excellent agreement with the theoretical model, demonstrating the successful performance of the algorithm. With a view to scaling up to larger numbers of qubits, we analyze the resource requirements for an n-qubit version. This work helps highlight how one-way quantum computing provides a practical route to experimentally investigating the quantum-classical gap in the query complexity model.

Computational social network modeling of terrorist recruitment.

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

Berry, Nina M.; Turnley, Jessica Glicken; Smrcka, Julianne D.

2004-10-01

The Seldon terrorist model represents a multi-disciplinary approach to developing organization software for the study of terrorist recruitment and group formation. The need to incorporate aspects of social science added a significant contribution to the vision of the resulting Seldon toolkit. The unique addition of and abstract agent category provided a means for capturing social concepts like cliques, mosque, etc. in a manner that represents their social conceptualization and not simply as a physical or economical institution. This paper provides an overview of the Seldon terrorist model developed to study the formation of cliques, which are used as the majormore » recruitment entity for terrorist organizations.« less

Reconstruction of electrocardiogram using ionic current models for heart muscles.

PubMed

Yamanaka, A; Okazaki, K; Urushibara, S; Kawato, M; Suzuki, R

1986-11-01

A digital computer model is presented for the simulation of the electrocardiogram during ventricular activation and repolarization (QRS-T waves). The part of the ventricular septum and the left ventricular free wall of the heart are represented by a two dimensional array of 730 homogeneous functional units. Ionic currents models are used to determine the spatial distribution of the electrical activities of these units at each instant of time during simulated cardiac cycle. In order to reconstruct the electrocardiogram, the model is expanded three-dimensionally with equipotential assumption along the third axis and then the surface potentials are calculated using solid angle method. Our digital computer model can be used to improve the understanding of the relationship between body surface potentials and intracellular electrical events.

Soft computing techniques toward modeling the water supplies of Cyprus.

PubMed

Iliadis, L; Maris, F; Tachos, S

2011-10-01

This research effort aims in the application of soft computing techniques toward water resources management. More specifically, the target is the development of reliable soft computing models capable of estimating the water supply for the case of "Germasogeia" mountainous watersheds in Cyprus. Initially, ε-Regression Support Vector Machines (ε-RSVM) and fuzzy weighted ε-RSVMR models have been developed that accept five input parameters. At the same time, reliable artificial neural networks have been developed to perform the same job. The 5-fold cross validation approach has been employed in order to eliminate bad local behaviors and to produce a more representative training data set. Thus, the fuzzy weighted Support Vector Regression (SVR) combined with the fuzzy partition has been employed in an effort to enhance the quality of the results. Several rational and reliable models have been produced that can enhance the efficiency of water policy designers. Copyright © 2011 Elsevier Ltd. All rights reserved.

Bayesian Computation Emerges in Generic Cortical Microcircuits through Spike-Timing-Dependent Plasticity

PubMed Central

Nessler, Bernhard; Pfeiffer, Michael; Buesing, Lars; Maass, Wolfgang

2013-01-01

The principles by which networks of neurons compute, and how spike-timing dependent plasticity (STDP) of synaptic weights generates and maintains their computational function, are unknown. Preceding work has shown that soft winner-take-all (WTA) circuits, where pyramidal neurons inhibit each other via interneurons, are a common motif of cortical microcircuits. We show through theoretical analysis and computer simulations that Bayesian computation is induced in these network motifs through STDP in combination with activity-dependent changes in the excitability of neurons. The fundamental components of this emergent Bayesian computation are priors that result from adaptation of neuronal excitability and implicit generative models for hidden causes that are created in the synaptic weights through STDP. In fact, a surprising result is that STDP is able to approximate a powerful principle for fitting such implicit generative models to high-dimensional spike inputs: Expectation Maximization. Our results suggest that the experimentally observed spontaneous activity and trial-to-trial variability of cortical neurons are essential features of their information processing capability, since their functional role is to represent probability distributions rather than static neural codes. Furthermore it suggests networks of Bayesian computation modules as a new model for distributed information processing in the cortex. PMID:23633941

Geometric and computer-aided spline hob modeling

NASA Astrophysics Data System (ADS)

Brailov, I. G.; Myasoedova, T. M.; Panchuk, K. L.; Krysova, I. V.; Rogoza, YU A.

2018-03-01

The paper considers acquiring the spline hob geometric model. The objective of the research is the development of a mathematical model of spline hob for spline shaft machining. The structure of the spline hob is described taking into consideration the motion in parameters of the machine tool system of cutting edge positioning and orientation. Computer-aided study is performed with the use of CAD and on the basis of 3D modeling methods. Vector representation of cutting edge geometry is accepted as the principal method of spline hob mathematical model development. The paper defines the correlations described by parametric vector functions representing helical cutting edges designed for spline shaft machining with consideration for helical movement in two dimensions. An application for acquiring the 3D model of spline hob is developed on the basis of AutoLISP for AutoCAD environment. The application presents the opportunity for the use of the acquired model for milling process imitation. An example of evaluation, analytical representation and computer modeling of the proposed geometrical model is reviewed. In the mentioned example, a calculation of key spline hob parameters assuring the capability of hobbing a spline shaft of standard design is performed. The polygonal and solid spline hob 3D models are acquired by the use of imitational computer modeling.

Improving National Water Modeling: An Intercomparison of two High-Resolution, Continental Scale Models, CONUS-ParFlow and the National Water Model

NASA Astrophysics Data System (ADS)

Tijerina, D.; Gochis, D.; Condon, L. E.; Maxwell, R. M.

2017-12-01

Development of integrated hydrology modeling systems that couple atmospheric, land surface, and subsurface flow is growing trend in hydrologic modeling. Using an integrated modeling framework, subsurface hydrologic processes, such as lateral flow and soil moisture redistribution, are represented in a single cohesive framework with surface processes like overland flow and evapotranspiration. There is a need for these more intricate models in comprehensive hydrologic forecasting and water management over large spatial areas, specifically the Continental US (CONUS). Currently, two high-resolution, coupled hydrologic modeling applications have been developed for this domain: CONUS-ParFlow built using the integrated hydrologic model ParFlow and the National Water Model that uses the NCAR Weather Research and Forecasting hydrological extension package (WRF-Hydro). Both ParFlow and WRF-Hydro include land surface models, overland flow, and take advantage of parallelization and high-performance computing (HPC) capabilities; however, they have different approaches to overland subsurface flow and groundwater-surface water interactions. Accurately representing large domains remains a challenge considering the difficult task of representing complex hydrologic processes, computational expense, and extensive data needs; both models have accomplished this, but have differences in approach and continue to be difficult to validate. A further exploration of effective methodology to accurately represent large-scale hydrology with integrated models is needed to advance this growing field. Here we compare the outputs of CONUS-ParFlow and the National Water Model to each other and with observations to study the performance of hyper-resolution models over large domains. Models were compared over a range of scales for major watersheds within the CONUS with a specific focus on the Mississippi, Ohio, and Colorado River basins. We use a novel set of approaches and analysis for this comparison to better understand differences in process and bias. This intercomparison is a step toward better understanding how much water we have and interactions between surface and subsurface. Our goal is to advance our understanding and simulation of the hydrologic system and ultimately improve hydrologic forecasts.

Hybrid reduced order modeling for assembly calculations

DOE PAGES

Bang, Youngsuk; Abdel-Khalik, Hany S.; Jessee, Matthew A.; ...

2015-08-14

While the accuracy of assembly calculations has greatly improved due to the increase in computer power enabling more refined description of the phase space and use of more sophisticated numerical algorithms, the computational cost continues to increase which limits the full utilization of their effectiveness for routine engineering analysis. Reduced order modeling is a mathematical vehicle that scales down the dimensionality of large-scale numerical problems to enable their repeated executions on small computing environment, often available to end users. This is done by capturing the most dominant underlying relationships between the model's inputs and outputs. Previous works demonstrated the usemore » of the reduced order modeling for a single physics code, such as a radiation transport calculation. This paper extends those works to coupled code systems as currently employed in assembly calculations. Finally, numerical tests are conducted using realistic SCALE assembly models with resonance self-shielding, neutron transport, and nuclides transmutation/depletion models representing the components of the coupled code system.« less

Development of Boundary Condition Independent Reduced Order Thermal Models using Proper Orthogonal Decomposition

NASA Astrophysics Data System (ADS)

Raghupathy, Arun; Ghia, Karman; Ghia, Urmila

2008-11-01

Compact Thermal Models (CTM) to represent IC packages has been traditionally developed using the DELPHI-based (DEvelopment of Libraries of PHysical models for an Integrated design) methodology. The drawbacks of this method are presented, and an alternative method is proposed. A reduced-order model that provides the complete thermal information accurately with less computational resources can be effectively used in system level simulations. Proper Orthogonal Decomposition (POD), a statistical method, can be used to reduce the order of the degree of freedom or variables of the computations for such a problem. POD along with the Galerkin projection allows us to create reduced-order models that reproduce the characteristics of the system with a considerable reduction in computational resources while maintaining a high level of accuracy. The goal of this work is to show that this method can be applied to obtain a boundary condition independent reduced-order thermal model for complex components. The methodology is applied to the 1D transient heat equation.

Computational algebraic geometry of epidemic models

NASA Astrophysics Data System (ADS)

Rodríguez Vega, Martín.

2014-06-01

Computational Algebraic Geometry is applied to the analysis of various epidemic models for Schistosomiasis and Dengue, both, for the case without control measures and for the case where control measures are applied. The models were analyzed using the mathematical software Maple. Explicitly the analysis is performed using Groebner basis, Hilbert dimension and Hilbert polynomials. These computational tools are included automatically in Maple. Each of these models is represented by a system of ordinary differential equations, and for each model the basic reproductive number (R0) is calculated. The effects of the control measures are observed by the changes in the algebraic structure of R0, the changes in Groebner basis, the changes in Hilbert dimension, and the changes in Hilbert polynomials. It is hoped that the results obtained in this paper become of importance for designing control measures against the epidemic diseases described. For future researches it is proposed the use of algebraic epidemiology to analyze models for airborne and waterborne diseases.

A computational approach for coupled 1D and 2D/3D CFD modelling of pulse Tube cryocoolers

NASA Astrophysics Data System (ADS)

Fang, T.; Spoor, P. S.; Ghiaasiaan, S. M.

2017-12-01

The physics behind Stirling-type cryocoolers are complicated. One dimensional (1D) simulation tools offer limited details and accuracy, in particular for cryocoolers that have non-linear configurations. Multi-dimensional Computational Fluid Dynamic (CFD) methods are useful but are computationally expensive in simulating cyrocooler systems in their entirety. In view of the fact that some components of a cryocooler, e.g., inertance tubes and compliance tanks, can be modelled as 1D components with little loss of critical information, a 1D-2D/3D coupled model was developed. Accordingly, one-dimensional - like components are represented by specifically developed routines. These routines can be coupled to CFD codes and provide boundary conditions for 2D/3D CFD simulations. The developed coupled model, while preserving sufficient flow field details, is two orders of magnitude faster than equivalent 2D/3D CFD models. The predictions show good agreement with experimental data and 2D/3D CFD model.

Computational knee ligament modeling using experimentally determined zero-load lengths.

PubMed

Bloemker, Katherine H; Guess, Trent M; Maletsky, Lorin; Dodd, Kevin

2012-01-01

This study presents a subject-specific method of determining the zero-load lengths of the cruciate and collateral ligaments in computational knee modeling. Three cadaver knees were tested in a dynamic knee simulator. The cadaver knees also underwent manual envelope of motion testing to find their passive range of motion in order to determine the zero-load lengths for each ligament bundle. Computational multibody knee models were created for each knee and model kinematics were compared to experimental kinematics for a simulated walk cycle. One-dimensional non-linear spring damper elements were used to represent cruciate and collateral ligament bundles in the knee models. This study found that knee kinematics were highly sensitive to altering of the zero-load length. The results also suggest optimal methods for defining each of the ligament bundle zero-load lengths, regardless of the subject. These results verify the importance of the zero-load length when modeling the knee joint and verify that manual envelope of motion measurements can be used to determine the passive range of motion of the knee joint. It is also believed that the method described here for determining zero-load length can be used for in vitro or in vivo subject-specific computational models.

Combining wet and dry research: experience with model development for cardiac mechano-electric structure-function studies

PubMed Central

Quinn, T. Alexander; Kohl, Peter

2013-01-01

Since the development of the first mathematical cardiac cell model 50 years ago, computational modelling has become an increasingly powerful tool for the analysis of data and for the integration of information related to complex cardiac behaviour. Current models build on decades of iteration between experiment and theory, representing a collective understanding of cardiac function. All models, whether computational, experimental, or conceptual, are simplified representations of reality and, like tools in a toolbox, suitable for specific applications. Their range of applicability can be explored (and expanded) by iterative combination of ‘wet’ and ‘dry’ investigation, where experimental or clinical data are used to first build and then validate computational models (allowing integration of previous findings, quantitative assessment of conceptual models, and projection across relevant spatial and temporal scales), while computational simulations are utilized for plausibility assessment, hypotheses-generation, and prediction (thereby defining further experimental research targets). When implemented effectively, this combined wet/dry research approach can support the development of a more complete and cohesive understanding of integrated biological function. This review illustrates the utility of such an approach, based on recent examples of multi-scale studies of cardiac structure and mechano-electric function. PMID:23334215

Analytical and experimental performance of a dual-mode traveling wave tube and multistage depressed collector

NASA Technical Reports Server (NTRS)

Ramins, Peter; Force, Dale A.; Kosmahl, Henry G.

1987-01-01

A computational procedure for the design of traveling-wave-tube(TWT)/refocuser/multistage depressed collector (MDC) systems was used to design a short, permanent-magnet refocusing system and a highly efficient MDC for a medium-power, dual-mode, 4.8- to 9.6-GHz TWT. The computations were carried out with advanced, multidimensional computer programs which model the electron beam and follow the trajectories of representative charges from the radiofrequency (RF) input of the TWT, through the slow-wave structure and refocusing section, to their points of impact in the depressed collector. Secondary emission losses in the MDC were treated semiquantitatively by injecting representative secondary-electron-emission current into the MDA analysis at the point of impact of each primary beam. A comparison of computed and measured TWT and MDC performance showed very good agreement. The electrodes of the MDC were fabricated from a particluar form of isptropic graphite that was selected for its low secondary electron yield, ease of machinability, and vacuum properties.

User's manual for a TEACH computer program for the analysis of turbulent, swirling reacting flow in a research combustor

NASA Technical Reports Server (NTRS)

Chiappetta, L. M.

1983-01-01

Described is a computer program for the analysis of the subsonic, swirling, reacting turbulent flow in an axisymmetric, bluff-body research combustor. The program features an improved finite-difference procedure designed to reduce the effects of numerical diffusion and a new algorithm for predicting the pressure distribution within the combustor. A research version of the computer program described in the report was supplied to United Technologies Research Center by Professor A. D. Gosman and his students, R. Benodeker and R. I. Issa, of Imperial College, London. The Imperial College staff also supplied much of the program documentation. Presented are a description of the mathematical model for flow within an axisymmetric bluff-body combustor, the development of the finite-difference procedure used to represent the system of equations, an outline of the algorithm for determining the static pressure distribution within the combustor, a description of the computer program including its input format, and the results for representative test cases.

The BioIntelligence Framework: a new computational platform for biomedical knowledge computing

PubMed Central

Farley, Toni; Kiefer, Jeff; Lee, Preston; Von Hoff, Daniel; Trent, Jeffrey M; Colbourn, Charles

2013-01-01

Breakthroughs in molecular profiling technologies are enabling a new data-intensive approach to biomedical research, with the potential to revolutionize how we study, manage, and treat complex diseases. The next great challenge for clinical applications of these innovations will be to create scalable computational solutions for intelligently linking complex biomedical patient data to clinically actionable knowledge. Traditional database management systems (DBMS) are not well suited to representing complex syntactic and semantic relationships in unstructured biomedical information, introducing barriers to realizing such solutions. We propose a scalable computational framework for addressing this need, which leverages a hypergraph-based data model and query language that may be better suited for representing complex multi-lateral, multi-scalar, and multi-dimensional relationships. We also discuss how this framework can be used to create rapid learning knowledge base systems to intelligently capture and relate complex patient data to biomedical knowledge in order to automate the recovery of clinically actionable information. PMID:22859646

Using Model Replication to Improve the Reliability of Agent-Based Models

NASA Astrophysics Data System (ADS)

Zhong, Wei; Kim, Yushim

The basic presupposition of model replication activities for a computational model such as an agent-based model (ABM) is that, as a robust and reliable tool, it must be replicable in other computing settings. This assumption has recently gained attention in the community of artificial society and simulation due to the challenges of model verification and validation. Illustrating the replication of an ABM representing fraudulent behavior in a public service delivery system originally developed in the Java-based MASON toolkit for NetLogo by a different author, this paper exemplifies how model replication exercises provide unique opportunities for model verification and validation process. At the same time, it helps accumulate best practices and patterns of model replication and contributes to the agenda of developing a standard methodological protocol for agent-based social simulation.

Identifying the computational requirements of an integrated top-down-bottom-up model for overt visual attention within an active vision system.

PubMed

McBride, Sebastian; Huelse, Martin; Lee, Mark

2013-01-01

Computational visual attention systems have been constructed in order for robots and other devices to detect and locate regions of interest in their visual world. Such systems often attempt to take account of what is known of the human visual system and employ concepts, such as 'active vision', to gain various perceived advantages. However, despite the potential for gaining insights from such experiments, the computational requirements for visual attention processing are often not clearly presented from a biological perspective. This was the primary objective of this study, attained through two specific phases of investigation: 1) conceptual modeling of a top-down-bottom-up framework through critical analysis of the psychophysical and neurophysiological literature, 2) implementation and validation of the model into robotic hardware (as a representative of an active vision system). Seven computational requirements were identified: 1) transformation of retinotopic to egocentric mappings, 2) spatial memory for the purposes of medium-term inhibition of return, 3) synchronization of 'where' and 'what' information from the two visual streams, 4) convergence of top-down and bottom-up information to a centralized point of information processing, 5) a threshold function to elicit saccade action, 6) a function to represent task relevance as a ratio of excitation and inhibition, and 7) derivation of excitation and inhibition values from object-associated feature classes. The model provides further insight into the nature of data representation and transfer between brain regions associated with the vertebrate 'active' visual attention system. In particular, the model lends strong support to the functional role of the lateral intraparietal region of the brain as a primary area of information consolidation that directs putative action through the use of a 'priority map'.

Identifying the Computational Requirements of an Integrated Top-Down-Bottom-Up Model for Overt Visual Attention within an Active Vision System

PubMed Central

McBride, Sebastian; Huelse, Martin; Lee, Mark

2013-01-01

Computational visual attention systems have been constructed in order for robots and other devices to detect and locate regions of interest in their visual world. Such systems often attempt to take account of what is known of the human visual system and employ concepts, such as ‘active vision’, to gain various perceived advantages. However, despite the potential for gaining insights from such experiments, the computational requirements for visual attention processing are often not clearly presented from a biological perspective. This was the primary objective of this study, attained through two specific phases of investigation: 1) conceptual modeling of a top-down-bottom-up framework through critical analysis of the psychophysical and neurophysiological literature, 2) implementation and validation of the model into robotic hardware (as a representative of an active vision system). Seven computational requirements were identified: 1) transformation of retinotopic to egocentric mappings, 2) spatial memory for the purposes of medium-term inhibition of return, 3) synchronization of ‘where’ and ‘what’ information from the two visual streams, 4) convergence of top-down and bottom-up information to a centralized point of information processing, 5) a threshold function to elicit saccade action, 6) a function to represent task relevance as a ratio of excitation and inhibition, and 7) derivation of excitation and inhibition values from object-associated feature classes. The model provides further insight into the nature of data representation and transfer between brain regions associated with the vertebrate ‘active’ visual attention system. In particular, the model lends strong support to the functional role of the lateral intraparietal region of the brain as a primary area of information consolidation that directs putative action through the use of a ‘priority map’. PMID:23437044

Review of selected features of the natural system model, and suggestions for applications in South Florida

USGS Publications Warehouse

Bales, Jerad; Fulford, Janice M.; Swain, Eric D.

1997-01-01

A study was conducted to review selected features of the Natural System Model, version 4.3 . The Natural System Model is a regional-scale model that uses recent climatic data and estimates of historic vegetation and topography to simulate pre-canal-drainage hydrologic response in south Florida. Equations used to represent the hydrologic system and the numerical solution of these equations in the model were documented and reviewed. Convergence testing was performed using 1965 input data, and selected other aspects of the model were evaluated.Some conclusions from the evaluation of the Natural System Model include the following observations . Simulations were generally insensitive to the temporal resolution used in the model. However, reduction of the computational cell size from 2-mile by 2-mile to 2/3-mile by 2/3-mile resulted in a decrease in spatial mean ponding depths for October of 0.35 foot for a 3-hour time step.Review of the computer code indicated that there is no limit on the amount of water that can be transferred from the river system to the overland flow system, on the amount of seepage from the river to the ground-water system, on evaporation from the river system, or on evapotranspiration from the overland-flow system . Oscillations of 0.2 foot or less in simulated river stage were identified and attributed to a volume limiting function which is applied in solution of the overland-flow equations. The computation of the resistance coefficient is not consistent with the computation of overland-flow velocity. Ground-water boundary conditions do not always ensure a no-flow condition at the boundary. These inconsistencies had varying degrees of effects on model simulations, and it is likely that simulations longer than 1 year are needed to fully identify effects. However, inconsistencies in model formulations should not be ignored, even if the effects of such errors on model results appear to be small or have not been clearly defined.The Natural System Model can be a very useful tool for estimating pre-drainage hydrologic response in south Florida. The model includes all of the important physical processes needed to simulate a water balance. With a few exceptions, these hydrologic processes are represented in a reasonable manner using empirical, semiempirical, and mechanistic relations . The data sets that have been assembled to represent physical features, and hydrologic and meteorological conditions are quite extensive in their scope.Some suggestions for model application were made. Simulation results from the Natural System Model need to be interpreted on a regional basis, rather than cell by cell. The available evidence suggests that simulated water levels should be interpreted with about a plus or minus 1 foot uncertainty. It is probably not appropriate to use the Natural System Model to estimate pre-drainage discharges (as opposed to hydroperiods and water levels) at a particular location or across a set of adjacent computational cells. All simulated results for computational cells within about 10 miles of the model boundaries have a higher degree of uncertainty than results for the interior of the model domain. It is most appropriate to interpret the Natural System Model simulation results in connection with other available information. Stronger linkages between hydrologic inputs to the Everglades and the ecological response of the system would enhance restoration efforts .

Multilevel functional genomics data integration as a tool for understanding physiology: a network biology perspective.

PubMed

Davidsen, Peter K; Turan, Nil; Egginton, Stuart; Falciani, Francesco

2016-02-01

The overall aim of physiological research is to understand how living systems function in an integrative manner. Consequently, the discipline of physiology has since its infancy attempted to link multiple levels of biological organization. Increasingly this has involved mathematical and computational approaches, typically to model a small number of components spanning several levels of biological organization. With the advent of "omics" technologies, which can characterize the molecular state of a cell or tissue (intended as the level of expression and/or activity of its molecular components), the number of molecular components we can quantify has increased exponentially. Paradoxically, the unprecedented amount of experimental data has made it more difficult to derive conceptual models underlying essential mechanisms regulating mammalian physiology. We present an overview of state-of-the-art methods currently used to identifying biological networks underlying genomewide responses. These are based on a data-driven approach that relies on advanced computational methods designed to "learn" biology from observational data. In this review, we illustrate an application of these computational methodologies using a case study integrating an in vivo model representing the transcriptional state of hypoxic skeletal muscle with a clinical study representing muscle wasting in chronic obstructive pulmonary disease patients. The broader application of these approaches to modeling multiple levels of biological data in the context of modern physiology is discussed. Copyright © 2016 the American Physiological Society.

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.

The impact of 14nm photomask variability and uncertainty on computational lithography solutions

NASA Astrophysics Data System (ADS)

Sturtevant, John; Tejnil, Edita; Buck, Peter D.; Schulze, Steffen; Kalk, Franklin; Nakagawa, Kent; Ning, Guoxiang; Ackmann, Paul; Gans, Fritz; Buergel, Christian

2013-09-01

Computational lithography solutions rely upon accurate process models to faithfully represent the imaging system output for a defined set of process and design inputs. These models rely upon the accurate representation of multiple parameters associated with the scanner and the photomask. Many input variables for simulation are based upon designed or recipe-requested values or independent measurements. It is known, however, that certain measurement methodologies, while precise, can have significant inaccuracies. Additionally, there are known errors associated with the representation of certain system parameters. With shrinking total CD control budgets, appropriate accounting for all sources of error becomes more important, and the cumulative consequence of input errors to the computational lithography model can become significant. In this work, we examine via simulation, the impact of errors in the representation of photomask properties including CD bias, corner rounding, refractive index, thickness, and sidewall angle. The factors that are most critical to be accurately represented in the model are cataloged. CD bias values are based on state of the art mask manufacturing data and other variables changes are speculated, highlighting the need for improved metrology and communication between mask and OPC model experts. The simulations are done by ignoring the wafer photoresist model, and show the sensitivity of predictions to various model inputs associated with the mask. It is shown that the wafer simulations are very dependent upon the 1D/2D representation of the mask and for 3D, that the mask sidewall angle is a very sensitive factor influencing simulated wafer CD results.

An efficient two-stage approach for image-based FSI analysis of atherosclerotic arteries

PubMed Central

Rayz, Vitaliy L.; Mofrad, Mohammad R. K.; Saloner, David

2010-01-01

Patient-specific biomechanical modeling of atherosclerotic arteries has the potential to aid clinicians in characterizing lesions and determining optimal treatment plans. To attain high levels of accuracy, recent models use medical imaging data to determine plaque component boundaries in three dimensions, and fluid–structure interaction is used to capture mechanical loading of the diseased vessel. As the plaque components and vessel wall are often highly complex in shape, constructing a suitable structured computational mesh is very challenging and can require a great deal of time. Models based on unstructured computational meshes require relatively less time to construct and are capable of accurately representing plaque components in three dimensions. These models unfortunately require additional computational resources and computing time for accurate and meaningful results. A two-stage modeling strategy based on unstructured computational meshes is proposed to achieve a reasonable balance between meshing difficulty and computational resource and time demand. In this method, a coarsegrained simulation of the full arterial domain is used to guide and constrain a fine-scale simulation of a smaller region of interest within the full domain. Results for a patient-specific carotid bifurcation model demonstrate that the two-stage approach can afford a large savings in both time for mesh generation and time and resources needed for computation. The effects of solid and fluid domain truncation were explored, and were shown to minimally affect accuracy of the stress fields predicted with the two-stage approach. PMID:19756798

iMarNet: an ocean biogeochemistry model inter-comparison project within a common physical ocean modelling framework

NASA Astrophysics Data System (ADS)

Kwiatkowski, L.; Yool, A.; Allen, J. I.; Anderson, T. R.; Barciela, R.; Buitenhuis, E. T.; Butenschön, M.; Enright, C.; Halloran, P. R.; Le Quéré, C.; de Mora, L.; Racault, M.-F.; Sinha, B.; Totterdell, I. J.; Cox, P. M.

2014-07-01

Ocean biogeochemistry (OBGC) models span a wide range of complexities from highly simplified, nutrient-restoring schemes, through nutrient-phytoplankton-zooplankton-detritus (NPZD) models that crudely represent the marine biota, through to models that represent a broader trophic structure by grouping organisms as plankton functional types (PFT) based on their biogeochemical role (Dynamic Green Ocean Models; DGOM) and ecosystem models which group organisms by ecological function and trait. OBGC models are now integral components of Earth System Models (ESMs), but they compete for computing resources with higher resolution dynamical setups and with other components such as atmospheric chemistry and terrestrial vegetation schemes. As such, the choice of OBGC in ESMs needs to balance model complexity and realism alongside relative computing cost. Here, we present an inter-comparison of six OBGC models that were candidates for implementation within the next UK Earth System Model (UKESM1). The models cover a large range of biological complexity (from 7 to 57 tracers) but all include representations of at least the nitrogen, carbon, alkalinity and oxygen cycles. Each OBGC model was coupled to the Nucleus for the European Modelling of the Ocean (NEMO) ocean general circulation model (GCM), and results from physically identical hindcast simulations were compared. Model skill was evaluated for biogeochemical metrics of global-scale bulk properties using conventional statistical techniques. The computing cost of each model was also measured in standardised tests run at two resource levels. No model is shown to consistently outperform or underperform all other models across all metrics. Nonetheless, the simpler models that are easier to tune are broadly closer to observations across a number of fields, and thus offer a high-efficiency option for ESMs that prioritise high resolution climate dynamics. However, simpler models provide limited insight into more complex marine biogeochemical processes and ecosystem pathways, and a parallel approach of low resolution climate dynamics and high complexity biogeochemistry is desirable in order to provide additional insights into biogeochemistry-climate interactions.

iMarNet: an ocean biogeochemistry model intercomparison project within a common physical ocean modelling framework

NASA Astrophysics Data System (ADS)

Kwiatkowski, L.; Yool, A.; Allen, J. I.; Anderson, T. R.; Barciela, R.; Buitenhuis, E. T.; Butenschön, M.; Enright, C.; Halloran, P. R.; Le Quéré, C.; de Mora, L.; Racault, M.-F.; Sinha, B.; Totterdell, I. J.; Cox, P. M.

2014-12-01

Ocean biogeochemistry (OBGC) models span a wide variety of complexities, including highly simplified nutrient-restoring schemes, nutrient-phytoplankton-zooplankton-detritus (NPZD) models that crudely represent the marine biota, models that represent a broader trophic structure by grouping organisms as plankton functional types (PFTs) based on their biogeochemical role (dynamic green ocean models) and ecosystem models that group organisms by ecological function and trait. OBGC models are now integral components of Earth system models (ESMs), but they compete for computing resources with higher resolution dynamical setups and with other components such as atmospheric chemistry and terrestrial vegetation schemes. As such, the choice of OBGC in ESMs needs to balance model complexity and realism alongside relative computing cost. Here we present an intercomparison of six OBGC models that were candidates for implementation within the next UK Earth system model (UKESM1). The models cover a large range of biological complexity (from 7 to 57 tracers) but all include representations of at least the nitrogen, carbon, alkalinity and oxygen cycles. Each OBGC model was coupled to the ocean general circulation model Nucleus for European Modelling of the Ocean (NEMO) and results from physically identical hindcast simulations were compared. Model skill was evaluated for biogeochemical metrics of global-scale bulk properties using conventional statistical techniques. The computing cost of each model was also measured in standardised tests run at two resource levels. No model is shown to consistently outperform all other models across all metrics. Nonetheless, the simpler models are broadly closer to observations across a number of fields and thus offer a high-efficiency option for ESMs that prioritise high-resolution climate dynamics. However, simpler models provide limited insight into more complex marine biogeochemical processes and ecosystem pathways, and a parallel approach of low-resolution climate dynamics and high-complexity biogeochemistry is desirable in order to provide additional insights into biogeochemistry-climate interactions.

29 CFR 779.415 - Computing employee's compensation for the representative period.

Code of Federal Regulations, 2010 CFR

2010-07-01

... 29 Labor 3 2010-07-01 2010-07-01 false Computing employee's compensation for the representative... Computing employee's compensation for the representative period. (a) In determining for purposes of section.... (See part 778 of this chapter.) (b) In computing the employee's total compensation for the...

Contaminant deposition building shielding factors for US residential structures.

PubMed

Dickson, Elijah; Hamby, David; Eckerman, Keith

2017-10-10

This paper presents validated building shielding factors designed for contemporary US housing-stock under an idealized, yet realistic, exposure scenario from contaminant deposition on the roof and surrounding surfaces. The building shielding factors are intended for use in emergency planning and level three probabilistic risk assessments for a variety of postulated radiological events in which a realistic assessment is necessary to better understand the potential risks for accident mitigation and emergency response planning. Factors are calculated from detailed computational housing-units models using the general-purpose Monte Carlo N-Particle computational code, MCNP5, and are benchmarked from a series of narrow- and broad-beam measurements analyzing the shielding effectiveness of ten common general-purpose construction materials and ten shielding models representing the primary weather barriers (walls and roofs) of likely US housing-stock. Each model was designed to scale based on common residential construction practices and include, to the extent practical, all structurally significant components important for shielding against ionizing radiation. Calculations were performed for floor-specific locations from contaminant deposition on the roof and surrounding ground as well as for computing a weighted-average representative building shielding factor for single- and multi-story detached homes, both with and without basement as well for single-wide manufactured housing-unit. © 2017 IOP Publishing Ltd.

Contaminant deposition building shielding factors for US residential structures.

PubMed

Dickson, E D; Hamby, D M; Eckerman, K F

2015-06-01

This paper presents validated building shielding factors designed for contemporary US housing-stock under an idealized, yet realistic, exposure scenario from contaminant deposition on the roof and surrounding surfaces. The building shielding factors are intended for use in emergency planning and level three probabilistic risk assessments for a variety of postulated radiological events in which a realistic assessment is necessary to better understand the potential risks for accident mitigation and emergency response planning. Factors are calculated from detailed computational housing-units models using the general-purpose Monte Carlo N-Particle computational code, MCNP5, and are benchmarked from a series of narrow- and broad-beam measurements analyzing the shielding effectiveness of ten common general-purpose construction materials and ten shielding models representing the primary weather barriers (walls and roofs) of likely US housing-stock. Each model was designed to scale based on common residential construction practices and include, to the extent practical, all structurally significant components important for shielding against ionizing radiation. Calculations were performed for floor-specific locations from contaminant deposition on the roof and surrounding ground as well as for computing a weighted-average representative building shielding factor for single- and multi-story detached homes, both with and without basement as well for single-wide manufactured housing-unit.

Fast ray-tracing of human eye optics on Graphics Processing Units.

PubMed

Wei, Qi; Patkar, Saket; Pai, Dinesh K

2014-05-01

We present a new technique for simulating retinal image formation by tracing a large number of rays from objects in three dimensions as they pass through the optic apparatus of the eye to objects. Simulating human optics is useful for understanding basic questions of vision science and for studying vision defects and their corrections. Because of the complexity of computing such simulations accurately, most previous efforts used simplified analytical models of the normal eye. This makes them less effective in modeling vision disorders associated with abnormal shapes of the ocular structures which are hard to be precisely represented by analytical surfaces. We have developed a computer simulator that can simulate ocular structures of arbitrary shapes, for instance represented by polygon meshes. Topographic and geometric measurements of the cornea, lens, and retina from keratometer or medical imaging data can be integrated for individualized examination. We utilize parallel processing using modern Graphics Processing Units (GPUs) to efficiently compute retinal images by tracing millions of rays. A stable retinal image can be generated within minutes. We simulated depth-of-field, accommodation, chromatic aberrations, as well as astigmatism and correction. We also show application of the technique in patient specific vision correction by incorporating geometric models of the orbit reconstructed from clinical medical images. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

Computing elastic‐rebound‐motivated rarthquake probabilities in unsegmented fault models: a new methodology supported by physics‐based simulators

USGS Publications Warehouse

Field, Edward H.

2015-01-01

A methodology is presented for computing elastic‐rebound‐based probabilities in an unsegmented fault or fault system, which involves computing along‐fault averages of renewal‐model parameters. The approach is less biased and more self‐consistent than a logical extension of that applied most recently for multisegment ruptures in California. It also enables the application of magnitude‐dependent aperiodicity values, which the previous approach does not. Monte Carlo simulations are used to analyze long‐term system behavior, which is generally found to be consistent with that of physics‐based earthquake simulators. Results cast doubt that recurrence‐interval distributions at points on faults look anything like traditionally applied renewal models, a fact that should be considered when interpreting paleoseismic data. We avoid such assumptions by changing the "probability of what" question (from offset at a point to the occurrence of a rupture, assuming it is the next event to occur). The new methodology is simple, although not perfect in terms of recovering long‐term rates in Monte Carlo simulations. It represents a reasonable, improved way to represent first‐order elastic‐rebound predictability, assuming it is there in the first place, and for a system that clearly exhibits other unmodeled complexities, such as aftershock triggering.

Obtaining Content Weights for Test Specifications from Job Analysis Task Surveys: An Application of the Many-Facets Rasch Model

ERIC Educational Resources Information Center

Wang, Ning; Stahl, John

2012-01-01

This article discusses the use of the Many-Facets Rasch Model, via the FACETS computer program (Linacre, 2006a), to scale job/practice analysis survey data as well as to combine multiple rating scales into single composite weights representing the tasks' relative importance. Results from the Many-Facets Rasch Model are compared with those…

Protein folding, protein structure and the origin of life: Theoretical methods and solutions of dynamical problems

NASA Technical Reports Server (NTRS)

Weaver, D. L.

1982-01-01

Theoretical methods and solutions of the dynamics of protein folding, protein aggregation, protein structure, and the origin of life are discussed. The elements of a dynamic model representing the initial stages of protein folding are presented. The calculation and experimental determination of the model parameters are discussed. The use of computer simulation for modeling protein folding is considered.

Prediction of the structure of fuel sprays in gas turbine combustors

NASA Technical Reports Server (NTRS)

Shuen, J. S.

1985-01-01

The structure of fuel sprays in a combustion chamber is theoretically investigated using computer models of current interest. Three representative spray models are considered: (1) a locally homogeneous flow (LHF) model, which assumes infinitely fast interphase transport rates; (2) a deterministic separated flow (DSF) model, which considers finite rates of interphase transport but ignores effects of droplet/turbulence interactions; and (3) a stochastic separated flow (SSF) model, which considers droplet/turbulence interactions using random sampling for turbulence properties in conjunction with random-walk computations for droplet motion and transport. Two flow conditions are studied to investigate the influence of swirl on droplet life histories and the effects of droplet/turbulence interactions on flow properties. Comparison of computed results with the experimental data show that general features of the flow structure can be predicted with reasonable accuracy using the two separated flow models. In contrast, the LHF model overpredicts the rate of development of the flow. While the SSF model provides better agreement with measurements than the DSF model, definitive evaluation of the significance of droplet/turbulence interaction is not achieved due to uncertainties in the spray initial conditions.

Surrogates for numerical simulations; optimization of eddy-promoter heat exchangers

NASA Technical Reports Server (NTRS)

Patera, Anthony T.; Patera, Anthony

1993-01-01

Although the advent of fast and inexpensive parallel computers has rendered numerous previously intractable calculations feasible, many numerical simulations remain too resource-intensive to be directly inserted in engineering optimization efforts. An attractive alternative to direct insertion considers models for computational systems: the expensive simulation is evoked only to construct and validate a simplified, input-output model; this simplified input-output model then serves as a simulation surrogate in subsequent engineering optimization studies. A simple 'Bayesian-validated' statistical framework for the construction, validation, and purposive application of static computer simulation surrogates is presented. As an example, dissipation-transport optimization of laminar-flow eddy-promoter heat exchangers are considered: parallel spectral element Navier-Stokes calculations serve to construct and validate surrogates for the flowrate and Nusselt number; these surrogates then represent the originating Navier-Stokes equations in the ensuing design process.

Equivalent-Continuum Modeling of Nano-Structured Materials

NASA Technical Reports Server (NTRS)

Odegard, Gregory M.; Gates, Thomas S.; Nicholson, Lee M.; Wise, Kristopher E.

2001-01-01

A method has been developed for modeling structure-property relationships of nano-structured materials. This method serves as a link between computational chemistry and solid mechanics by substituting discrete molecular structures with an equivalent-continuum model. It has been shown that this substitution may be accomplished by equating the vibrational potential energy of a nano-structured material with the strain energy of representative truss and continuum models. As an important example with direct application to the development and characterization of single-walled carbon nanotubes, the model has been applied to determine the effective continuum geometry of a graphene sheet. A representative volume element of the equivalent-continuum model has been developed with an effective thickness. This effective thickness has been shown to be similar to, but slightly smaller than, the interatomic spacing of graphite.

Computer constructed imagery of distant plasma interaction boundaries

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

Grenstadt, E.W.; Schurr, H.D.; Tsugawa, R.K.

1982-01-01

Computer constructed sketches of plasma boundaries arising from the interaction between the solar wind and the magnetosphere can serve as both didactic and research tools. In particular, the structure of the earth's bow shock can be represented as a nonuniform surfce according to the instantaneous orientation of the IMF, and temporal changes in structural distribution can be modeled as a sequence of sketches based on observed sequences of spacecraft-based measurements. Viewed rapidly, such a sequence of sketches can be the basis for representation of plasma processes by computer animation.

Embedded Process Modeling, Analogy-Based Option Generation and Analytical Graphic Interaction for Enhanced User-Computer Interaction: An Interactive Storyboard of Next Generation User-Computer Interface Technology. Phase 1

DTIC Science & Technology

1988-03-01

structure of the interface is a mapping from the physical world [for example, the use of icons, which S have inherent meaning to users but represent...design alternatives. Mechanisms for linking the user to the computer include physical devices (keyboards), actions taken with the devices (keystrokes...VALUATION AIDES TEMLATEI IITCOM1I LATOR IACTICAL KNOWLEDGE ACGIUISITION MICNnII t 1 Fig. 9. INTACVAL. * OtJiCTs ARE PHYSICAL ENTITIES OR CONCEPTUAL EN

Human operator identification model and related computer programs

NASA Technical Reports Server (NTRS)

Kessler, K. M.; Mohr, J. N.

1978-01-01

Four computer programs which provide computational assistance in the analysis of man/machine systems are reported. The programs are: (1) Modified Transfer Function Program (TF); (2) Time Varying Response Program (TVSR); (3) Optimal Simulation Program (TVOPT); and (4) Linear Identification Program (SCIDNT). The TV program converts the time domain state variable system representative to frequency domain transfer function system representation. The TVSR program computes time histories of the input/output responses of the human operator model. The TVOPT program is an optimal simulation program and is similar to TVSR in that it produces time histories of system states associated with an operator in the loop system. The differences between the two programs are presented. The SCIDNT program is an open loop identification code which operates on the simulated data from TVOPT (or TVSR) or real operator data from motion simulators.

Integrating Computational Science Tools into a Thermodynamics Course

NASA Astrophysics Data System (ADS)

Vieira, Camilo; Magana, Alejandra J.; García, R. Edwin; Jana, Aniruddha; Krafcik, Matthew

2018-01-01

Computational tools and methods have permeated multiple science and engineering disciplines, because they enable scientists and engineers to process large amounts of data, represent abstract phenomena, and to model and simulate complex concepts. In order to prepare future engineers with the ability to use computational tools in the context of their disciplines, some universities have started to integrate these tools within core courses. This paper evaluates the effect of introducing three computational modules within a thermodynamics course on student disciplinary learning and self-beliefs about computation. The results suggest that using worked examples paired to computer simulations to implement these modules have a positive effect on (1) student disciplinary learning, (2) student perceived ability to do scientific computing, and (3) student perceived ability to do computer programming. These effects were identified regardless of the students' prior experiences with computer programming.

An Improved Nested Sampling Algorithm for Model Selection and Assessment

NASA Astrophysics Data System (ADS)

Zeng, X.; Ye, M.; Wu, J.; WANG, D.

2017-12-01

Multimodel strategy is a general approach for treating model structure uncertainty in recent researches. The unknown groundwater system is represented by several plausible conceptual models. Each alternative conceptual model is attached with a weight which represents the possibility of this model. In Bayesian framework, the posterior model weight is computed as the product of model prior weight and marginal likelihood (or termed as model evidence). As a result, estimating marginal likelihoods is crucial for reliable model selection and assessment in multimodel analysis. Nested sampling estimator (NSE) is a new proposed algorithm for marginal likelihood estimation. The implementation of NSE comprises searching the parameters' space from low likelihood area to high likelihood area gradually, and this evolution is finished iteratively via local sampling procedure. Thus, the efficiency of NSE is dominated by the strength of local sampling procedure. Currently, Metropolis-Hasting (M-H) algorithm and its variants are often used for local sampling in NSE. However, M-H is not an efficient sampling algorithm for high-dimensional or complex likelihood function. For improving the performance of NSE, it could be feasible to integrate more efficient and elaborated sampling algorithm - DREAMzs into the local sampling. In addition, in order to overcome the computation burden problem of large quantity of repeating model executions in marginal likelihood estimation, an adaptive sparse grid stochastic collocation method is used to build the surrogates for original groundwater model.

Random-effects linear modeling and sample size tables for two special crossover designs of average bioequivalence studies: the four-period, two-sequence, two-formulation and six-period, three-sequence, three-formulation designs.

PubMed

Diaz, Francisco J; Berg, Michel J; Krebill, Ron; Welty, Timothy; Gidal, Barry E; Alloway, Rita; Privitera, Michael

2013-12-01

Due to concern and debate in the epilepsy medical community and to the current interest of the US Food and Drug Administration (FDA) in revising approaches to the approval of generic drugs, the FDA is currently supporting ongoing bioequivalence studies of antiepileptic drugs, the EQUIGEN studies. During the design of these crossover studies, the researchers could not find commercial or non-commercial statistical software that quickly allowed computation of sample sizes for their designs, particularly software implementing the FDA requirement of using random-effects linear models for the analyses of bioequivalence studies. This article presents tables for sample-size evaluations of average bioequivalence studies based on the two crossover designs used in the EQUIGEN studies: the four-period, two-sequence, two-formulation design, and the six-period, three-sequence, three-formulation design. Sample-size computations assume that random-effects linear models are used in bioequivalence analyses with crossover designs. Random-effects linear models have been traditionally viewed by many pharmacologists and clinical researchers as just mathematical devices to analyze repeated-measures data. In contrast, a modern view of these models attributes an important mathematical role in theoretical formulations in personalized medicine to them, because these models not only have parameters that represent average patients, but also have parameters that represent individual patients. Moreover, the notation and language of random-effects linear models have evolved over the years. Thus, another goal of this article is to provide a presentation of the statistical modeling of data from bioequivalence studies that highlights the modern view of these models, with special emphasis on power analyses and sample-size computations.

Use of the Steinberg and Carroll-Holt model concepts in ductile fracture

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

Seaman, L.; Boustie, M.; Resseguier, T. de

1998-07-10

We have extended the SRI ductile fracture model (DFRACT) for spall behavior of aluminum and copper. The temperature computation procedure, thermal strength reduction function, work hardening, and Bauschinger effects from the Steinberg model were added. The threshold stress for void growth in the DFRACT model was equated to the stress for general yielding in the Carroll-Holt model for porous materials. With these modifications of DFRACT, we simulated a series of earlier impacts in 1145 (commercially pure) aluminum in which partial spall had been reached. The revised model was able to represent the numbers, sizes, and locations of voids through themore » sample. The use of the Carroll-Holt and Steinberg model features allows the DFRACT model to reach larger void volumes in the simulations and therefore to better represent heavy damage.« less

Cognitive Demand of Model Tracing Tutor Tasks: Conceptualizing and Predicting How Deeply Students Engage

ERIC Educational Resources Information Center

Kessler, Aaron M.; Stein, Mary Kay; Schunn, Christian D.

2015-01-01

Model tracing tutors represent a technology designed to mimic key elements of one-on-one human tutoring. We examine the situations in which such supportive computer technologies may devolve into mindless student work with little conceptual understanding or student development. To analyze the support of student intellectual work in the model…

CADRE-SS, an in Silico Tool for Predicting Skin Sensitization Potential Based on Modeling of Molecular Interactions.

PubMed

Kostal, Jakub; Voutchkova-Kostal, Adelina

2016-01-19

Using computer models to accurately predict toxicity outcomes is considered to be a major challenge. However, state-of-the-art computational chemistry techniques can now be incorporated in predictive models, supported by advances in mechanistic toxicology and the exponential growth of computing resources witnessed over the past decade. The CADRE (Computer-Aided Discovery and REdesign) platform relies on quantum-mechanical modeling of molecular interactions that represent key biochemical triggers in toxicity pathways. Here, we present an external validation exercise for CADRE-SS, a variant developed to predict the skin sensitization potential of commercial chemicals. CADRE-SS is a hybrid model that evaluates skin permeability using Monte Carlo simulations, assigns reactive centers in a molecule and possible biotransformations via expert rules, and determines reactivity with skin proteins via quantum-mechanical modeling. The results were promising with an overall very good concordance of 93% between experimental and predicted values. Comparison to performance metrics yielded by other tools available for this endpoint suggests that CADRE-SS offers distinct advantages for first-round screenings of chemicals and could be used as an in silico alternative to animal tests where permissible by legislative programs.

A knowledge-based approach to automated flow-field zoning for computational fluid dynamics

NASA Technical Reports Server (NTRS)

Vogel, Alison Andrews

1989-01-01

An automated three-dimensional zonal grid generation capability for computational fluid dynamics is shown through the development of a demonstration computer program capable of automatically zoning the flow field of representative two-dimensional (2-D) aerodynamic configurations. The applicability of a knowledge-based programming approach to the domain of flow-field zoning is examined. Several aspects of flow-field zoning make the application of knowledge-based techniques challenging: the need for perceptual information, the role of individual bias in the design and evaluation of zonings, and the fact that the zoning process is modeled as a constructive, design-type task (for which there are relatively few examples of successful knowledge-based systems in any domain). Engineering solutions to the problems arising from these aspects are developed, and a demonstration system is implemented which can design, generate, and output flow-field zonings for representative 2-D aerodynamic configurations.

Challenges in Soft Computing: Case Study with Louisville MSD CSO Modeling

NASA Astrophysics Data System (ADS)

Ormsbee, L.; Tufail, M.

2005-12-01

The principal constituents of soft computing include fuzzy logic, neural computing, evolutionary computation, machine learning, and probabilistic reasoning. There are numerous applications of these constituents (both individually and combination of two or more) in the area of water resources and environmental systems. These range from development of data driven models to optimal control strategies to assist in more informed and intelligent decision making process. Availability of data is critical to such applications and having scarce data may lead to models that do not represent the response function over the entire domain. At the same time, too much data has a tendency to lead to over-constraining of the problem. This paper will describe the application of a subset of these soft computing techniques (neural computing and genetic algorithms) to the Beargrass Creek watershed in Louisville, Kentucky. The application include development of inductive models as substitutes for more complex process-based models to predict water quality of key constituents (such as dissolved oxygen) and use them in an optimization framework for optimal load reductions. Such a process will facilitate the development of total maximum daily loads for the impaired water bodies in the watershed. Some of the challenges faced in this application include 1) uncertainty in data sets, 2) model application, and 3) development of cause-and-effect relationships between water quality constituents and watershed parameters through use of inductive models. The paper will discuss these challenges and how they affect the desired goals of the project.

Computation of Surface Laplacian for tri-polar ring electrodes on high-density realistic geometry head model.

PubMed

Junwei Ma; Han Yuan; Sunderam, Sridhar; Besio, Walter; Lei Ding

2017-07-01

Neural activity inside the human brain generate electrical signals that can be detected on the scalp. Electroencephalograph (EEG) is one of the most widely utilized techniques helping physicians and researchers to diagnose and understand various brain diseases. Due to its nature, EEG signals have very high temporal resolution but poor spatial resolution. To achieve higher spatial resolution, a novel tri-polar concentric ring electrode (TCRE) has been developed to directly measure Surface Laplacian (SL). The objective of the present study is to accurately calculate SL for TCRE based on a realistic geometry head model. A locally dense mesh was proposed to represent the head surface, where the local dense parts were to match the small structural components in TCRE. Other areas without dense mesh were used for the purpose of reducing computational load. We conducted computer simulations to evaluate the performance of the proposed mesh and evaluated possible numerical errors as compared with a low-density model. Finally, with achieved accuracy, we presented the computed forward lead field of SL for TCRE for the first time in a realistic geometry head model and demonstrated that it has better spatial resolution than computed SL from classic EEG recordings.

A computational model of in vitro angiogenesis based on extracellular matrix fibre orientation.

PubMed

Edgar, Lowell T; Sibole, Scott C; Underwood, Clayton J; Guilkey, James E; Weiss, Jeffrey A

2013-01-01

Recent interest in the process of vascularisation within the biomedical community has motivated numerous new research efforts focusing on the process of angiogenesis. Although the role of chemical factors during angiogenesis has been well documented, the role of mechanical factors, such as the interaction between angiogenic vessels and the extracellular matrix, remains poorly understood. In vitro methods for studying angiogenesis exist; however, measurements available using such techniques often suffer from limited spatial and temporal resolutions. For this reason, computational models have been extensively employed to investigate various aspects of angiogenesis. This paper outlines the formulation and validation of a simple and robust computational model developed to accurately simulate angiogenesis based on length, branching and orientation morphometrics collected from vascularised tissue constructs. Microvessels were represented as a series of connected line segments. The morphology of the vessels was determined by a linear combination of the collagen fibre orientation, the vessel density gradient and a random walk component. Excellent agreement was observed between computational and experimental morphometric data over time. Computational predictions of microvessel orientation within an anisotropic matrix correlated well with experimental data. The accuracy of this modelling approach makes it a valuable platform for investigating the role of mechanical interactions during angiogenesis.

3D Computer Models of T- x- y Diagrams, Forming the Fe-Ni-Co-FeS-NiS-CoS Subsystem

NASA Astrophysics Data System (ADS)

Lutsyk, V. I.; Vorob'eva, V. P.

2017-12-01

3D computer models of Fe-Ni-Co, Fe-Ni-FeS-NiS, Fe-Co-FeS-CoS, Ni-Co-NiS-CoS T- x- y diagrams have been designed. The geometric structure (35 surfaces, two-phase surface of the reaction type change, 17 phase regions) of the Fe-Ni-FeS-NiS T- x- y diagram is investigated in detail. The liquidus hypersurfaces prediction of the Fe-Ni-Co-FeS-NiS-CoS subsystem is represented.

Basic Research in Digital Stochastic Model Algorithmic Control.

DTIC Science & Technology

1980-11-01

IDCOM Description 115 8.2 Basic Control Computation 117 8.3 Gradient Algorithm 119 8.4 Simulation Model 119 8.5 Model Modifications 123 8.6 Summary 124...constraints, and 3) control traJectorv comouta- tion. 2.1.1 Internal Model of the System The multivariable system to be controlled is represented by a...more flexible and adaptive, since the model , criteria, and sampling rates can be adjusted on-line. This flexibility comes from the use of the impulse

Computations of turbulent lean premixed combustion using conditional moment closure

NASA Astrophysics Data System (ADS)

Amzin, Shokri; Swaminathan, Nedunchezhian

2013-12-01

Conditional Moment Closure (CMC) is a suitable method for predicting scalars such as carbon monoxide with slow chemical time scales in turbulent combustion. Although this method has been successfully applied to non-premixed combustion, its application to lean premixed combustion is rare. In this study the CMC method is used to compute piloted lean premixed combustion in a distributed combustion regime. The conditional scalar dissipation rate of the conditioning scalar, the progress variable, is closed using an algebraic model and turbulence is modelled using the standard k-ɛ model. The conditional mean reaction rate is closed using a first order CMC closure with the GRI-3.0 chemical mechanism to represent the chemical kinetics of methane oxidation. The PDF of the progress variable is obtained using a presumed shape with the Beta function. The computed results are compared with the experimental measurements and earlier computations using the transported PDF approach. The results show reasonable agreement with the experimental measurements and are consistent with the transported PDF computations. When the compounded effects of shear-turbulence and flame are strong, second order closures may be required for the CMC.

An active learning representative subset selection method using net analyte signal.

PubMed

He, Zhonghai; Ma, Zhenhe; Luan, Jingmin; Cai, Xi

2018-05-05

To guarantee accurate predictions, representative samples are needed when building a calibration model for spectroscopic measurements. However, in general, it is not known whether a sample is representative prior to measuring its concentration, which is both time-consuming and expensive. In this paper, a method to determine whether a sample should be selected into a calibration set is presented. The selection is based on the difference of Euclidean norm of net analyte signal (NAS) vector between the candidate and existing samples. First, the concentrations and spectra of a group of samples are used to compute the projection matrix, NAS vector, and scalar values. Next, the NAS vectors of candidate samples are computed by multiplying projection matrix with spectra of samples. Scalar value of NAS is obtained by norm computation. The distance between the candidate set and the selected set is computed, and samples with the largest distance are added to selected set sequentially. Last, the concentration of the analyte is measured such that the sample can be used as a calibration sample. Using a validation test, it is shown that the presented method is more efficient than random selection. As a result, the amount of time and money spent on reference measurements is greatly reduced. Copyright © 2018 Elsevier B.V. All rights reserved.

An active learning representative subset selection method using net analyte signal

NASA Astrophysics Data System (ADS)

He, Zhonghai; Ma, Zhenhe; Luan, Jingmin; Cai, Xi

2018-05-01

To guarantee accurate predictions, representative samples are needed when building a calibration model for spectroscopic measurements. However, in general, it is not known whether a sample is representative prior to measuring its concentration, which is both time-consuming and expensive. In this paper, a method to determine whether a sample should be selected into a calibration set is presented. The selection is based on the difference of Euclidean norm of net analyte signal (NAS) vector between the candidate and existing samples. First, the concentrations and spectra of a group of samples are used to compute the projection matrix, NAS vector, and scalar values. Next, the NAS vectors of candidate samples are computed by multiplying projection matrix with spectra of samples. Scalar value of NAS is obtained by norm computation. The distance between the candidate set and the selected set is computed, and samples with the largest distance are added to selected set sequentially. Last, the concentration of the analyte is measured such that the sample can be used as a calibration sample. Using a validation test, it is shown that the presented method is more efficient than random selection. As a result, the amount of time and money spent on reference measurements is greatly reduced.

Measurements and Computations of Flow in an Urban Street System

NASA Astrophysics Data System (ADS)

Castro, Ian P.; Xie, Zheng-Tong; Fuka, V.; Robins, Alan G.; Carpentieri, M.; Hayden, P.; Hertwig, D.; Coceal, O.

2017-02-01

We present results from laboratory and computational experiments on the turbulent flow over an array of rectangular blocks modelling a typical, asymmetric urban canopy at various orientations to the approach flow. The work forms part of a larger study on dispersion within such arrays (project DIPLOS) and concentrates on the nature of the mean flow and turbulence fields within the canopy region, recognising that unless the flow field is adequately represented in computational models there is no reason to expect realistic simulations of the nature of the dispersion of pollutants emitted within the canopy. Comparisons between the experimental data and those obtained from both large-eddy simulation (LES) and direct numerical simulation (DNS) are shown and it is concluded that careful use of LES can produce generally excellent agreement with laboratory and DNS results, lending further confidence in the use of LES for such situations. Various crucial issues are discussed and advice offered to both experimentalists and those seeking to compute canopy flows with turbulence resolving models.

Random noise effects in pulse-mode digital multilayer neural networks.

PubMed

Kim, Y C; Shanblatt, M A

1995-01-01

A pulse-mode digital multilayer neural network (DMNN) based on stochastic computing techniques is implemented with simple logic gates as basic computing elements. The pulse-mode signal representation and the use of simple logic gates for neural operations lead to a massively parallel yet compact and flexible network architecture, well suited for VLSI implementation. Algebraic neural operations are replaced by stochastic processes using pseudorandom pulse sequences. The distributions of the results from the stochastic processes are approximated using the hypergeometric distribution. Synaptic weights and neuron states are represented as probabilities and estimated as average pulse occurrence rates in corresponding pulse sequences. A statistical model of the noise (error) is developed to estimate the relative accuracy associated with stochastic computing in terms of mean and variance. Computational differences are then explained by comparison to deterministic neural computations. DMNN feedforward architectures are modeled in VHDL using character recognition problems as testbeds. Computational accuracy is analyzed, and the results of the statistical model are compared with the actual simulation results. Experiments show that the calculations performed in the DMNN are more accurate than those anticipated when Bernoulli sequences are assumed, as is common in the literature. Furthermore, the statistical model successfully predicts the accuracy of the operations performed in the DMNN.

Rosen's (M,R) system in Unified Modelling Language.

PubMed

Zhang, Ling; Williams, Richard A; Gatherer, Derek

2016-01-01

Robert Rosen's (M,R) system is an abstract biological network architecture that is allegedly non-computable on a Turing machine. If (M,R) is truly non-computable, there are serious implications for the modelling of large biological networks in computer software. A body of work has now accumulated addressing Rosen's claim concerning (M,R) by attempting to instantiate it in various software systems. However, a conclusive refutation has remained elusive, principally since none of the attempts to date have unambiguously avoided the critique that they have altered the properties of (M,R) in the coding process, producing merely approximate simulations of (M,R) rather than true computational models. In this paper, we use the Unified Modelling Language (UML), a diagrammatic notation standard, to express (M,R) as a system of objects having attributes, functions and relations. We believe that this instantiates (M,R) in such a way than none of the original properties of the system are corrupted in the process. Crucially, we demonstrate that (M,R) as classically represented in the relational biology literature is implicitly a UML communication diagram. Furthermore, since UML is formally compatible with object-oriented computing languages, instantiation of (M,R) in UML strongly implies its computability in object-oriented coding languages. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

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

Optimal control of CPR procedure using hemodynamic circulation model

DOEpatents

Lenhart, Suzanne M.; Protopopescu, Vladimir A.; Jung, Eunok

2007-12-25

A method for determining a chest pressure profile for cardiopulmonary resuscitation (CPR) includes the steps of representing a hemodynamic circulation model based on a plurality of difference equations for a patient, applying an optimal control (OC) algorithm to the circulation model, and determining a chest pressure profile. The chest pressure profile defines a timing pattern of externally applied pressure to a chest of the patient to maximize blood flow through the patient. A CPR device includes a chest compressor, a controller communicably connected to the chest compressor, and a computer communicably connected to the controller. The computer determines the chest pressure profile by applying an OC algorithm to a hemodynamic circulation model based on the plurality of difference equations.

SaaS enabled admission control for MCMC simulation in cloud computing infrastructures

NASA Astrophysics Data System (ADS)

Vázquez-Poletti, J. L.; Moreno-Vozmediano, R.; Han, R.; Wang, W.; Llorente, I. M.

2017-02-01

Markov Chain Monte Carlo (MCMC) methods are widely used in the field of simulation and modelling of materials, producing applications that require a great amount of computational resources. Cloud computing represents a seamless source for these resources in the form of HPC. However, resource over-consumption can be an important drawback, specially if the cloud provision process is not appropriately optimized. In the present contribution we propose a two-level solution that, on one hand, takes advantage of approximate computing for reducing the resource demand and on the other, uses admission control policies for guaranteeing an optimal provision to running applications.

A Stochastic-Variational Model for Soft Mumford-Shah Segmentation

PubMed Central

2006-01-01

In contemporary image and vision analysis, stochastic approaches demonstrate great flexibility in representing and modeling complex phenomena, while variational-PDE methods gain enormous computational advantages over Monte Carlo or other stochastic algorithms. In combination, the two can lead to much more powerful novel models and efficient algorithms. In the current work, we propose a stochastic-variational model for soft (or fuzzy) Mumford-Shah segmentation of mixture image patterns. Unlike the classical hard Mumford-Shah segmentation, the new model allows each pixel to belong to each image pattern with some probability. Soft segmentation could lead to hard segmentation, and hence is more general. The modeling procedure, mathematical analysis on the existence of optimal solutions, and computational implementation of the new model are explored in detail, and numerical examples of both synthetic and natural images are presented. PMID:23165059

Accurate optimization of amino acid form factors for computing small-angle X-ray scattering intensity of atomistic protein structures

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

Tong, Dudu; Yang, Sichun; Lu, Lanyuan

2016-06-20

Structure modellingviasmall-angle X-ray scattering (SAXS) data generally requires intensive computations of scattering intensity from any given biomolecular structure, where the accurate evaluation of SAXS profiles using coarse-grained (CG) methods is vital to improve computational efficiency. To date, most CG SAXS computing methods have been based on a single-bead-per-residue approximation but have neglected structural correlations between amino acids. To improve the accuracy of scattering calculations, accurate CG form factors of amino acids are now derived using a rigorous optimization strategy, termed electron-density matching (EDM), to best fit electron-density distributions of protein structures. This EDM method is compared with and tested againstmore » other CG SAXS computing methods, and the resulting CG SAXS profiles from EDM agree better with all-atom theoretical SAXS data. By including the protein hydration shell represented by explicit CG water molecules and the correction of protein excluded volume, the developed CG form factors also reproduce the selected experimental SAXS profiles with very small deviations. Taken together, these EDM-derived CG form factors present an accurate and efficient computational approach for SAXS computing, especially when higher molecular details (represented by theqrange of the SAXS data) become necessary for effective structure modelling.« less

Computer Modeling and Simulation

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

Pronskikh, V. S.

2014-05-09

Verification and validation of computer codes and models used in simulation are two aspects of the scientific practice of high importance and have recently been discussed by philosophers of science. While verification is predominantly associated with the correctness of the way a model is represented by a computer code or algorithm, validation more often refers to model’s relation to the real world and its intended use. It has been argued that because complex simulations are generally not transparent to a practitioner, the Duhem problem can arise for verification and validation due to their entanglement; such an entanglement makes it impossiblemore » to distinguish whether a coding error or model’s general inadequacy to its target should be blamed in the case of the model failure. I argue that in order to disentangle verification and validation, a clear distinction between computer modeling (construction of mathematical computer models of elementary processes) and simulation (construction of models of composite objects and processes by means of numerical experimenting with them) needs to be made. Holding on to that distinction, I propose to relate verification (based on theoretical strategies such as inferences) to modeling and validation, which shares the common epistemology with experimentation, to simulation. To explain reasons of their intermittent entanglement I propose a weberian ideal-typical model of modeling and simulation as roles in practice. I suggest an approach to alleviate the Duhem problem for verification and validation generally applicable in practice and based on differences in epistemic strategies and scopes« less

Computational Features of Flow Modeling in Nanostructured Sensors

NASA Astrophysics Data System (ADS)

Ionescu, Adela; Savu, Dan; Savu, Sorin; Coman, Daniela

2009-04-01

Nowadays the productivity of the welding processes represents an important factor in economy concepts. The technologies which are developed by the researchers are oriented to the increasing of the welding processes' productivity and to the improvement of the products' quality.

Probabilistic Design Storm Method for Improved Flood Estimation in Ungauged Catchments

NASA Astrophysics Data System (ADS)

Berk, Mario; Å pačková, Olga; Straub, Daniel

2017-12-01

The design storm approach with event-based rainfall-runoff models is a standard method for design flood estimation in ungauged catchments. The approach is conceptually simple and computationally inexpensive, but the underlying assumptions can lead to flawed design flood estimations. In particular, the implied average recurrence interval (ARI) neutrality between rainfall and runoff neglects uncertainty in other important parameters, leading to an underestimation of design floods. The selection of a single representative critical rainfall duration in the analysis leads to an additional underestimation of design floods. One way to overcome these nonconservative approximations is the use of a continuous rainfall-runoff model, which is associated with significant computational cost and requires rainfall input data that are often not readily available. As an alternative, we propose a novel Probabilistic Design Storm method that combines event-based flood modeling with basic probabilistic models and concepts from reliability analysis, in particular the First-Order Reliability Method (FORM). The proposed methodology overcomes the limitations of the standard design storm approach, while utilizing the same input information and models without excessive computational effort. Additionally, the Probabilistic Design Storm method allows deriving so-called design charts, which summarize representative design storm events (combinations of rainfall intensity and other relevant parameters) for floods with different return periods. These can be used to study the relationship between rainfall and runoff return periods. We demonstrate, investigate, and validate the method by means of an example catchment located in the Bavarian Pre-Alps, in combination with a simple hydrological model commonly used in practice.

Towards anatomic scale agent-based modeling with a massively parallel spatially explicit general-purpose model of enteric tissue (SEGMEnT_HPC).

PubMed

Cockrell, Robert Chase; Christley, Scott; Chang, Eugene; An, Gary

2015-01-01

Perhaps the greatest challenge currently facing the biomedical research community is the ability to integrate highly detailed cellular and molecular mechanisms to represent clinical disease states as a pathway to engineer effective therapeutics. This is particularly evident in the representation of organ-level pathophysiology in terms of abnormal tissue structure, which, through histology, remains a mainstay in disease diagnosis and staging. As such, being able to generate anatomic scale simulations is a highly desirable goal. While computational limitations have previously constrained the size and scope of multi-scale computational models, advances in the capacity and availability of high-performance computing (HPC) resources have greatly expanded the ability of computational models of biological systems to achieve anatomic, clinically relevant scale. Diseases of the intestinal tract are exemplary examples of pathophysiological processes that manifest at multiple scales of spatial resolution, with structural abnormalities present at the microscopic, macroscopic and organ-levels. In this paper, we describe a novel, massively parallel computational model of the gut, the Spatially Explicitly General-purpose Model of Enteric Tissue_HPC (SEGMEnT_HPC), which extends an existing model of the gut epithelium, SEGMEnT, in order to create cell-for-cell anatomic scale simulations. We present an example implementation of SEGMEnT_HPC that simulates the pathogenesis of ileal pouchitis, and important clinical entity that affects patients following remedial surgery for ulcerative colitis.

Development of Efficient Real-Fluid Model in Simulating Liquid Rocket Injector Flows

NASA Technical Reports Server (NTRS)

Cheng, Gary; Farmer, Richard

2003-01-01

The characteristics of propellant mixing near the injector have a profound effect on the liquid rocket engine performance. However, the flow features near the injector of liquid rocket engines are extremely complicated, for example supercritical-pressure spray, turbulent mixing, and chemical reactions are present. Previously, a homogeneous spray approach with a real-fluid property model was developed to account for the compressibility and evaporation effects such that thermodynamics properties of a mixture at a wide range of pressures and temperatures can be properly calculated, including liquid-phase, gas- phase, two-phase, and dense fluid regions. The developed homogeneous spray model demonstrated a good success in simulating uni- element shear coaxial injector spray combustion flows. However, the real-fluid model suffered a computational deficiency when applied to a pressure-based computational fluid dynamics (CFD) code. The deficiency is caused by the pressure and enthalpy being the independent variables in the solution procedure of a pressure-based code, whereas the real-fluid model utilizes density and temperature as independent variables. The objective of the present research work is to improve the computational efficiency of the real-fluid property model in computing thermal properties. The proposed approach is called an efficient real-fluid model, and the improvement of computational efficiency is achieved by using a combination of a liquid species and a gaseous species to represent a real-fluid species.

Documentation of a computer program to simulate transient leakage from confining units using the modular finite-difference, ground-water flow model

USGS Publications Warehouse

Leake, S.A.; Leahy, P.P.; Navoy, A.S.

1994-01-01

Transient leakage into or out of a compressible fine-grained confining unit results from ground- water storage changes within the unit. The computer program described in this report provides a new method of simulating transient leakage using the U.S. Geological Survey modular finite- difference ground-water flow model (MODFLOW). The new program is referred to as the Transient- Leakage Package. The Transient-Leakage Package solves integrodifferential equations that describe flow across the upper and lower boundaries of confining units. For each confining unit, vertical hydraulic conductivity, thickness, and specific storage are specified in input arrays. These properties can vary from cell to cell and the confining unit need not be present at all locations in the grid; however, the confining units must be bounded above and below by model layers in which head is calculated or specified. The package was used in an example problem to simulate drawdown around a pumping well in a system with two aquifers separated by a confining unit. For drawdown values in excess of 1 centimeter, the solution using the new package closely matched an exact analytical solution. The problem also was simulated without the new package by using a separate model layer to represent the confining unit. That simulation was refined by using two model layers to represent the confining unit. The simulation using the Transient-Leakage Package was faster and more accurate than either of the simulations using model layers to represent the confining unit.

Reconfiguration Schemes for Fault-Tolerant Processor Arrays

DTIC Science & Technology

1992-10-15

partially notion of linear schedule are easily related to similar ordered subset of a multidimensional integer lattice models and concepts used in [11-[131...and several other (called indec set). The points of this lattice correspond works. to (i.e.. are the indices of) computations, and the partial There are...These data dependencies are represented as vectors that of all computations of the algorithm is to be minimized. connect points of the lattice . If a

Accurate, efficient, and (iso)geometrically flexible collocation methods for phase-field models

NASA Astrophysics Data System (ADS)

Gomez, Hector; Reali, Alessandro; Sangalli, Giancarlo

2014-04-01

We propose new collocation methods for phase-field models. Our algorithms are based on isogeometric analysis, a new technology that makes use of functions from computational geometry, such as, for example, Non-Uniform Rational B-Splines (NURBS). NURBS exhibit excellent approximability and controllable global smoothness, and can represent exactly most geometries encapsulated in Computer Aided Design (CAD) models. These attributes permitted us to derive accurate, efficient, and geometrically flexible collocation methods for phase-field models. The performance of our method is demonstrated by several numerical examples of phase separation modeled by the Cahn-Hilliard equation. We feel that our method successfully combines the geometrical flexibility of finite elements with the accuracy and simplicity of pseudo-spectral collocation methods, and is a viable alternative to classical collocation methods.

An anisotropic thermomechanical damage model for concrete at transient elevated temperatures.

PubMed

Baker, Graham; de Borst, René

2005-11-15

The behaviour of concrete at elevated temperatures is important for an assessment of integrity (strength and durability) of structures exposed to a high-temperature environment, in applications such as fire exposure, smelting plants and nuclear installations. In modelling terms, a coupled thermomechanical analysis represents a generalization of the computational mechanics of fracture and damage. Here, we develop a fully coupled anisotropic thermomechanical damage model for concrete under high stress and transient temperature, with emphasis on the adherence of the model to the laws of thermodynamics. Specific analytical results are given, deduced from thermodynamics, of a novel interpretation on specific heat, evolution of entropy and the identification of the complete anisotropic, thermomechanical damage surface. The model is also shown to be stable in a computational sense, and to satisfy the laws of thermodynamics.

Negative symptoms in schizophrenia result from a failure to represent the expected value of rewards: Behavioral and computational modeling evidence

PubMed Central

Gold, James M.; Waltz, James A.; Matveeva, Tatyana M.; Kasanova, Zuzana; Strauss, Gregory P.; Herbener, Ellen S.; Collins, Anne G.E.; Frank, Michael J.

2015-01-01

Context Negative symptoms are a core feature of schizophrenia, but their pathophysiology remains unclear. Objective Negative symptoms are defined by the absence of normal function. However, there must be a productive mechanism that leads to this absence. Here, we test a reinforcement learning account suggesting that negative symptoms result from a failure to represent the expected value of rewards coupled with preserved loss avoidance learning. Design Subjects performed a probabilistic reinforcement learning paradigm involving stimulus pairs in which choices resulted in either reward or avoidance of loss. Following training, subjects indicated their valuation of the stimuli in a transfer task. Computational modeling was used to distinguish between alternative accounts of the data. Setting A tertiary care research outpatient clinic. Patients A total of 47 clinically stable patients with a diagnosis of schizophrenia or schizoaffective disorder and 28 healthy volunteers participated. Patients were divided into high and low negative symptom groups. Main Outcome measures 1) The number of choices leading to reward or loss avoidance and 2) performance in the transfer phase. Quantitative fits from three different models were examined. Results High negative symptom patients demonstrated impaired learning from rewards but intact loss avoidance learning, and failed to distinguish rewarding stimuli from loss-avoiding stimuli in the transfer phase. Model fits revealed that high negative symptom patients were better characterized by an “actor-critic” model, learning stimulus-response associations, whereas controls and low negative symptom patients incorporated expected value of their actions (“Q-learning”) into the selection process. Conclusions Negative symptoms are associated with a specific reinforcement learning abnormality: High negative symptoms patients do not represent the expected value of rewards when making decisions but learn to avoid punishments through the use of prediction errors. This computational framework offers the potential to understand negative symptoms at a mechanistic level. PMID:22310503

COPEWELL: A Conceptual Framework and System Dynamics Model for Predicting Community Functioning and Resilience After Disasters.

PubMed

Links, Jonathan M; Schwartz, Brian S; Lin, Sen; Kanarek, Norma; Mitrani-Reiser, Judith; Sell, Tara Kirk; Watson, Crystal R; Ward, Doug; Slemp, Cathy; Burhans, Robert; Gill, Kimberly; Igusa, Tak; Zhao, Xilei; Aguirre, Benigno; Trainor, Joseph; Nigg, Joanne; Inglesby, Thomas; Carbone, Eric; Kendra, James M

2018-02-01

Policy-makers and practitioners have a need to assess community resilience in disasters. Prior efforts conflated resilience with community functioning, combined resistance and recovery (the components of resilience), and relied on a static model for what is inherently a dynamic process. We sought to develop linked conceptual and computational models of community functioning and resilience after a disaster. We developed a system dynamics computational model that predicts community functioning after a disaster. The computational model outputted the time course of community functioning before, during, and after a disaster, which was used to calculate resistance, recovery, and resilience for all US counties. The conceptual model explicitly separated resilience from community functioning and identified all key components for each, which were translated into a system dynamics computational model with connections and feedbacks. The components were represented by publicly available measures at the county level. Baseline community functioning, resistance, recovery, and resilience evidenced a range of values and geographic clustering, consistent with hypotheses based on the disaster literature. The work is transparent, motivates ongoing refinements, and identifies areas for improved measurements. After validation, such a model can be used to identify effective investments to enhance community resilience. (Disaster Med Public Health Preparedness. 2018;12:127-137).

Accelerating Climate and Weather Simulations through Hybrid Computing

NASA Technical Reports Server (NTRS)

Zhou, Shujia; Cruz, Carlos; Duffy, Daniel; Tucker, Robert; Purcell, Mark

2011-01-01

Unconventional multi- and many-core processors (e.g. IBM (R) Cell B.E.(TM) and NVIDIA (R) GPU) have emerged as effective accelerators in trial climate and weather simulations. Yet these climate and weather models typically run on parallel computers with conventional processors (e.g. Intel, AMD, and IBM) using Message Passing Interface. To address challenges involved in efficiently and easily connecting accelerators to parallel computers, we investigated using IBM's Dynamic Application Virtualization (TM) (IBM DAV) software in a prototype hybrid computing system with representative climate and weather model components. The hybrid system comprises two Intel blades and two IBM QS22 Cell B.E. blades, connected with both InfiniBand(R) (IB) and 1-Gigabit Ethernet. The system significantly accelerates a solar radiation model component by offloading compute-intensive calculations to the Cell blades. Systematic tests show that IBM DAV can seamlessly offload compute-intensive calculations from Intel blades to Cell B.E. blades in a scalable, load-balanced manner. However, noticeable communication overhead was observed, mainly due to IP over the IB protocol. Full utilization of IB Sockets Direct Protocol and the lower latency production version of IBM DAV will reduce this overhead.

Segmenting words from natural speech: subsegmental variation in segmental cues.

PubMed

Rytting, C Anton; Brew, Chris; Fosler-Lussier, Eric

2010-06-01

Most computational models of word segmentation are trained and tested on transcripts of speech, rather than the speech itself, and assume that speech is converted into a sequence of symbols prior to word segmentation. We present a way of representing speech corpora that avoids this assumption, and preserves acoustic variation present in speech. We use this new representation to re-evaluate a key computational model of word segmentation. One finding is that high levels of phonetic variability degrade the model's performance. While robustness to phonetic variability may be intrinsically valuable, this finding needs to be complemented by parallel studies of the actual abilities of children to segment phonetically variable speech.

LANDSAT 4 band 6 data evaluation

NASA Technical Reports Server (NTRS)

1983-01-01

Multiple altitude TM thermal infrared images were analyzed and the observed radiance values were computed. The data obtained represent an experimental relation between preceived radiance and altitude. A LOWTRAB approach was tested which incorporates a modification to the path radiance model. This modification assumes that the scattering out of the optical path is equal in magnitude and direction to the scattering into the path. The radiance observed at altitude by an aircraft sensor was used as input to the model. Expected radiance as a function of altitude was then computed down to the ground. The results were not very satisfactory because of somewhat large errors in temperature and because of the difference in the shape of the modeled and experimental curves.

Towards An Engineering Discipline of Computational Security

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

Mili, Ali; Sheldon, Frederick T; Jilani, Lamia Labed

2007-01-01

George Boole ushered the era of modern logic by arguing that logical reasoning does not fall in the realm of philosophy, as it was considered up to his time, but in the realm of mathematics. As such, logical propositions and logical arguments are modeled using algebraic structures. Likewise, we submit that security attributes must be modeled as formal mathematical propositions that are subject to mathematical analysis. In this paper, we approach this problem by attempting to model security attributes in a refinement-like framework that has traditionally been used to represent reliability and safety claims. Keywords: Computable security attributes, survivability, integrity,more » dependability, reliability, safety, security, verification, testing, fault tolerance.« less

Numerical Simulations of Plasma Based Flow Control Applications

NASA Technical Reports Server (NTRS)

Suzen, Y. B.; Huang, P. G.; Jacob, J. D.; Ashpis, D. E.

2005-01-01

A mathematical model was developed to simulate flow control applications using plasma actuators. The effects of the plasma actuators on the external flow are incorporated into Navier Stokes computations as a body force vector. In order to compute this body force vector, the model solves two additional equations: one for the electric field due to the applied AC voltage at the electrodes and the other for the charge density representing the ionized air. The model is calibrated against an experiment having plasma-driven flow in a quiescent environment and is then applied to simulate a low pressure turbine flow with large flow separation. The effects of the plasma actuator on control of flow separation are demonstrated numerically.

Recent advances in modeling languages for pathway maps and computable biological networks.

PubMed

Slater, Ted

2014-02-01

As our theories of systems biology grow more sophisticated, the models we use to represent them become larger and more complex. Languages necessarily have the expressivity and flexibility required to represent these models in ways that support high-resolution annotation, and provide for simulation and analysis that are sophisticated enough to allow researchers to master their data in the proper context. These languages also need to facilitate model sharing and collaboration, which is currently best done by using uniform data structures (such as graphs) and language standards. In this brief review, we discuss three of the most recent systems biology modeling languages to appear: BEL, PySB and BCML, and examine how they meet these needs. Copyright © 2014 Elsevier Ltd. All rights reserved.

Calibrating Bayesian Network Representations of Social-Behavioral Models

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

Whitney, Paul D.; Walsh, Stephen J.

2010-04-08

While human behavior has long been studied, recent and ongoing advances in computational modeling present opportunities for recasting research outcomes in human behavior. In this paper we describe how Bayesian networks can represent outcomes of human behavior research. We demonstrate a Bayesian network that represents political radicalization research – and show a corresponding visual representation of aspects of this research outcome. Since Bayesian networks can be quantitatively compared with external observations, the representation can also be used for empirical assessments of the research which the network summarizes. For a political radicalization model based on published research, we show this empiricalmore » comparison with data taken from the Minorities at Risk Organizational Behaviors database.« less

PSYCHE: An Object-Oriented Approach to Simulating Medical Education

PubMed Central

Mullen, Jamie A.

1990-01-01

Traditional approaches to computer-assisted instruction (CAI) do not provide realistic simulations of medical education, in part because they do not utilize heterogeneous knowledge bases for their source of domain knowledge. PSYCHE, a CAI program designed to teach hypothetico-deductive psychiatric decision-making to medical students, uses an object-oriented implementation of an intelligent tutoring system (ITS) to model the student, domain expert, and tutor. It models the transactions between the participants in complex transaction chains, and uses heterogeneous knowledge bases to represent both domain and procedural knowledge in clinical medicine. This object-oriented approach is a flexible and dynamic approach to modeling, and represents a potentially valuable tool for the investigation of medical education and decision-making.

Desiderata for computable representations of electronic health records-driven phenotype algorithms.

PubMed

Mo, Huan; Thompson, William K; Rasmussen, Luke V; Pacheco, Jennifer A; Jiang, Guoqian; Kiefer, Richard; Zhu, Qian; Xu, Jie; Montague, Enid; Carrell, David S; Lingren, Todd; Mentch, Frank D; Ni, Yizhao; Wehbe, Firas H; Peissig, Peggy L; Tromp, Gerard; Larson, Eric B; Chute, Christopher G; Pathak, Jyotishman; Denny, Joshua C; Speltz, Peter; Kho, Abel N; Jarvik, Gail P; Bejan, Cosmin A; Williams, Marc S; Borthwick, Kenneth; Kitchner, Terrie E; Roden, Dan M; Harris, Paul A

2015-11-01

Electronic health records (EHRs) are increasingly used for clinical and translational research through the creation of phenotype algorithms. Currently, phenotype algorithms are most commonly represented as noncomputable descriptive documents and knowledge artifacts that detail the protocols for querying diagnoses, symptoms, procedures, medications, and/or text-driven medical concepts, and are primarily meant for human comprehension. We present desiderata for developing a computable phenotype representation model (PheRM). A team of clinicians and informaticians reviewed common features for multisite phenotype algorithms published in PheKB.org and existing phenotype representation platforms. We also evaluated well-known diagnostic criteria and clinical decision-making guidelines to encompass a broader category of algorithms. We propose 10 desired characteristics for a flexible, computable PheRM: (1) structure clinical data into queryable forms; (2) recommend use of a common data model, but also support customization for the variability and availability of EHR data among sites; (3) support both human-readable and computable representations of phenotype algorithms; (4) implement set operations and relational algebra for modeling phenotype algorithms; (5) represent phenotype criteria with structured rules; (6) support defining temporal relations between events; (7) use standardized terminologies and ontologies, and facilitate reuse of value sets; (8) define representations for text searching and natural language processing; (9) provide interfaces for external software algorithms; and (10) maintain backward compatibility. A computable PheRM is needed for true phenotype portability and reliability across different EHR products and healthcare systems. These desiderata are a guide to inform the establishment and evolution of EHR phenotype algorithm authoring platforms and languages. © The Author 2015. Published by Oxford University Press on behalf of the American Medical Informatics Association.

TARDEC FIXED HEEL POINT (FHP): DRIVER CAD ACCOMMODATION MODEL VERIFICATION REPORT

DTIC Science & Technology

2017-11-09

SUPPLEMENTARY NOTES N/A 14. ABSTRACT Easy-to-use Computer-Aided Design (CAD) tools, known as accommodation models, are needed by the ground vehicle... designers when developing the interior workspace for the occupant. The TARDEC Fixed Heel Point (FHP): Driver CAD Accommodation Model described in this...is intended to provide the composite boundaries representing the body of the defined target design population, including posture prediction

On the Lulejian-I Combat Model

DTIC Science & Technology

1976-08-01

possible initial massing of the attacking side’s resources, the model tries to represent in a game -theoretic context the adversary nature of the...sequential game , as outlined in [A]. In principle, it is necessary to run the combat simulation once for each possible set of sequentially chosen...sequential game , in which the evaluative portion of the model (i.e., the combat assessment) serves to compute intermediate and terminal payoffs for the

Avionics Collaborative Engineering Technology Delivery Order 0035: Secure Knowledge Management (SKM) Technology Research Roadmap - Technology Trends for Collaborative Information and Knowledge Management Research

DTIC Science & Technology

2004-06-01

such as that represented in the know-how of the master craftsman), and cognitive (know why, perceptions, values, beliefs, and mental models).4... cognitive engineering, educational technology, industrial/organizational psychology, sociology, cultural anthropology, and computational...such as human-human interaction, interface design and evaluation methodology, cognitive models and user models, health and ergonomic studies, empirical

Multi-resolution voxel phantom modeling: a high-resolution eye model for computational dosimetry

NASA Astrophysics Data System (ADS)

Caracappa, Peter F.; Rhodes, Ashley; Fiedler, Derek

2014-09-01

Voxel models of the human body are commonly used for simulating radiation dose with a Monte Carlo radiation transport code. Due to memory limitations, the voxel resolution of these computational phantoms is typically too large to accurately represent the dimensions of small features such as the eye. Recently reduced recommended dose limits to the lens of the eye, which is a radiosensitive tissue with a significant concern for cataract formation, has lent increased importance to understanding the dose to this tissue. A high-resolution eye model is constructed using physiological data for the dimensions of radiosensitive tissues, and combined with an existing set of whole-body models to form a multi-resolution voxel phantom, which is used with the MCNPX code to calculate radiation dose from various exposure types. This phantom provides an accurate representation of the radiation transport through the structures of the eye. Two alternate methods of including a high-resolution eye model within an existing whole-body model are developed. The accuracy and performance of each method is compared against existing computational phantoms.

A neuron-astrocyte transistor-like model for neuromorphic dressed neurons.

PubMed

Valenza, G; Pioggia, G; Armato, A; Ferro, M; Scilingo, E P; De Rossi, D

2011-09-01

Experimental evidences on the role of the synaptic glia as an active partner together with the bold synapse in neuronal signaling and dynamics of neural tissue strongly suggest to investigate on a more realistic neuron-glia model for better understanding human brain processing. Among the glial cells, the astrocytes play a crucial role in the tripartite synapsis, i.e. the dressed neuron. A well-known two-way astrocyte-neuron interaction can be found in the literature, completely revising the purely supportive role for the glia. The aim of this study is to provide a computationally efficient model for neuron-glia interaction. The neuron-glia interactions were simulated by implementing the Li-Rinzel model for an astrocyte and the Izhikevich model for a neuron. Assuming the dressed neuron dynamics similar to the nonlinear input-output characteristics of a bipolar junction transistor, we derived our computationally efficient model. This model may represent the fundamental computational unit for the development of real-time artificial neuron-glia networks opening new perspectives in pattern recognition systems and in brain neurophysiology. Copyright © 2011 Elsevier Ltd. All rights reserved.

A neural computational model for animal's time-to-collision estimation.

PubMed

Wang, Ling; Yao, Dezhong

2013-04-17

The time-to-collision (TTC) is the time elapsed before a looming object hits the subject. An accurate estimation of TTC plays a critical role in the survival of animals in nature and acts as an important factor in artificial intelligence systems that depend on judging and avoiding potential dangers. The theoretic formula for TTC is 1/τ≈θ'/sin θ, where θ and θ' are the visual angle and its variation, respectively, and the widely used approximation computational model is θ'/θ. However, both of these measures are too complex to be implemented by a biological neuronal model. We propose a new simple computational model: 1/τ≈Mθ-P/(θ+Q)+N, where M, P, Q, and N are constants that depend on a predefined visual angle. This model, weighted summation of visual angle model (WSVAM), can achieve perfect implementation through a widely accepted biological neuronal model. WSVAM has additional merits, including a natural minimum consumption and simplicity. Thus, it yields a precise and neuronal-implemented estimation for TTC, which provides a simple and convenient implementation for artificial vision, and represents a potential visual brain mechanism.

Thermal modeling of lesion growth with radiofrequency ablation devices

PubMed Central

Chang, Isaac A; Nguyen, Uyen D

2004-01-01

Background Temperature is a frequently used parameter to describe the predicted size of lesions computed by computational models. In many cases, however, temperature correlates poorly with lesion size. Although many studies have been conducted to characterize the relationship between time-temperature exposure of tissue heating to cell damage, to date these relationships have not been employed in a finite element model. Methods We present an axisymmetric two-dimensional finite element model that calculates cell damage in tissues and compare lesion sizes using common tissue damage and iso-temperature contour definitions. The model accounts for both temperature-dependent changes in the electrical conductivity of tissue as well as tissue damage-dependent changes in local tissue perfusion. The data is validated using excised porcine liver tissues. Results The data demonstrate the size of thermal lesions is grossly overestimated when calculated using traditional temperature isocontours of 42°C and 47°C. The computational model results predicted lesion dimensions that were within 5% of the experimental measurements. Conclusion When modeling radiofrequency ablation problems, temperature isotherms may not be representative of actual tissue damage patterns. PMID:15298708

Equivalent magnetization over the World's Ocean

NASA Astrophysics Data System (ADS)

Dyment, J.; Choi, Y.; Hamoudi, M.; Erwan, T.; Lesur, V.

2014-12-01

As a by-product of our recent work to build a candidate model over the oceans for the World Digital Magnetic Anomaly Map (WDMAM) version 2, we derived global distributions of the equivalent magnetization in oceanic domains. In a first step, we use classic point source forward modeling on a spherical Earth to build a forward model of the marine magnetic anomalies at sea-surface. We estimate magnetization vectors using the age map of the ocean floor, the relative plate motions, the apparent polar wander path for Africa, and a geomagnetic reversal time scale. As magnetized source geometry, we assume 1 km-thick layer bearing a 10 A/m magnetization following the topography of the oceanic basement as defined by the bathymetry and sedimentary thickness. Adding a present-day geomagnetic field model allows the computation of our initial magnetic anomaly model. In a second step, we adjust this model to the existing marine magnetic anomaly data, in order to make it consistent with these data. To do so, we extract synthetic magnetic along the ship tracks for which real data are available and we compare quantitatively the measured and computed anomalies on 100, 200 or 400 km-long sliding windows (depending the spreading rate). Among the possible comparison criteria, we discard the maximal range - too dependent on local values - and the correlation and coherency - the geographical adjustment between model and data being not accurate enough - to favor the standard deviation around the mean value. The ratio between the standard deviations of data and model on each sliding window represent an estimate of the magnetization ratio causing the anomalies, which we interpolate to adjust the initial magnetic anomaly model to the data and therefore compute a final model to be included in our WDMAM candidate over the oceanic regions lacking data. The above ratio, after division by the magnetization of 10 A/m used in the model, represents an estimate of the equivalent magnetization under the considered magnetized source geometry. The resulting distributions of equivalent magnetization are discussed in terms of mid-ocean ridges, presence of hotspots and oceanic plateaus, and the age of the oceanic lithosphere. Global marine magnetic data sets and models represent a useful tool to assess first order magnetic properties of the oceanic lithosphere.

Reaction Mechanism Generator: Automatic construction of chemical kinetic mechanisms

DOE PAGES

Gao, Connie W.; Allen, Joshua W.; Green, William H.; ...

2016-02-24

Reaction Mechanism Generator (RMG) constructs kinetic models composed of elementary chemical reaction steps using a general understanding of how molecules react. Species thermochemistry is estimated through Benson group additivity and reaction rate coefficients are estimated using a database of known rate rules and reaction templates. At its core, RMG relies on two fundamental data structures: graphs and trees. Graphs are used to represent chemical structures, and trees are used to represent thermodynamic and kinetic data. Models are generated using a rate-based algorithm which excludes species from the model based on reaction fluxes. RMG can generate reaction mechanisms for species involvingmore » carbon, hydrogen, oxygen, sulfur, and nitrogen. It also has capabilities for estimating transport and solvation properties, and it automatically computes pressure-dependent rate coefficients and identifies chemically-activated reaction paths. RMG is an object-oriented program written in Python, which provides a stable, robust programming architecture for developing an extensible and modular code base with a large suite of unit tests. Computationally intensive functions are cythonized for speed improvements.« less

New 3D model for dynamics modeling

NASA Astrophysics Data System (ADS)

Perez, Alain

1994-05-01

The wrist articulation represents one of the most complex mechanical systems of the human body. It is composed of eight bones rolling and sliding along their surface and along the faces of the five metacarpals of the hand and the two bones of the arm. The wrist dynamics are however fundamental for the hand movement, but it is so complex that it still remains incompletely explored. This work is a part of a new concept of computer-assisted surgery, which consists in developing computer models to perfect surgery acts by predicting their consequences. The modeling of the wrist dynamics are based first on the static model of its bones in three dimensions. This 3D model must optimise the collision detection procedure which is the necessary step to estimate the physical contact constraints. As many other possible computer vision models do not fit with enough precision to this problem, a new 3D model has been developed thanks to the median axis of the digital distance map of the bones reconstructed volume. The collision detection procedure is then simplified for contacts are detected between spheres. The experiment of this original 3D dynamic model products realistic computer animation images of solids in contact. It is now necessary to detect ligaments on digital medical images and to model them in order to complete a wrist model.

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.

Real-time dynamic simulation of the Cassini spacecraft using DARTS. Part 2: Parallel/vectorized real-time implementation

NASA Technical Reports Server (NTRS)

Fijany, A.; Roberts, J. A.; Jain, A.; Man, G. K.

1993-01-01

Part 1 of this paper presented the requirements for the real-time simulation of Cassini spacecraft along with some discussion of the DARTS algorithm. Here, in Part 2 we discuss the development and implementation of parallel/vectorized DARTS algorithm and architecture for real-time simulation. Development of the fast algorithms and architecture for real-time hardware-in-the-loop simulation of spacecraft dynamics is motivated by the fact that it represents a hard real-time problem, in the sense that the correctness of the simulation depends on both the numerical accuracy and the exact timing of the computation. For a given model fidelity, the computation should be computed within a predefined time period. Further reduction in computation time allows increasing the fidelity of the model (i.e., inclusion of more flexible modes) and the integration routine.

Construction of hydrodynamic bead models from high-resolution X-ray crystallographic or nuclear magnetic resonance data.

PubMed Central

Byron, O

1997-01-01

Computer software such as HYDRO, based upon a comprehensive body of theoretical work, permits the hydrodynamic modeling of macromolecules in solution, which are represented to the computer interface as an assembly of spheres. The uniqueness of any satisfactory resultant model is optimized by incorporating into the modeling procedure the maximal possible number of criteria to which the bead model must conform. An algorithm (AtoB, for atoms to beads) that permits the direct construction of bead models from high resolution x-ray crystallographic or nuclear magnetic resonance data has now been formulated and tested. Models so generated then act as informed starting estimates for the subsequent iterative modeling procedure, thereby hastening the convergence to reasonable representations of solution conformation. Successful application of this algorithm to several proteins shows that predictions of hydrodynamic parameters, including those concerning solvation, can be confirmed. PMID:8994627

Nonlinear power flow feedback control for improved stability and performance of airfoil sections

DOEpatents

Wilson, David G.; Robinett, III, Rush D.

2013-09-03

A computer-implemented method of determining the pitch stability of an airfoil system, comprising using a computer to numerically integrate a differential equation of motion that includes terms describing PID controller action. In one model, the differential equation characterizes the time-dependent response of the airfoil's pitch angle, .alpha.. The computer model calculates limit-cycles of the model, which represent the stability boundaries of the airfoil system. Once the stability boundary is known, feedback control can be implemented, by using, for example, a PID controller to control a feedback actuator. The method allows the PID controller gain constants, K.sub.I, K.sub.p, and K.sub.d, to be optimized. This permits operation closer to the stability boundaries, while preventing the physical apparatus from unintentionally crossing the stability boundaries. Operating closer to the stability boundaries permits greater power efficiencies to be extracted from the airfoil system.

Ambient occlusion effects for combined volumes and tubular geometry.

PubMed

Schott, Mathias; Martin, Tobias; Grosset, A V Pascal; Smith, Sean T; Hansen, Charles D

2013-06-01

This paper details a method for interactive direct volume rendering that computes ambient occlusion effects for visualizations that combine both volumetric and geometric primitives, specifically tube-shaped geometric objects representing streamlines, magnetic field lines or DTI fiber tracts. The algorithm extends the recently presented the directional occlusion shading model to allow the rendering of those geometric shapes in combination with a context providing 3D volume, considering mutual occlusion between structures represented by a volume or geometry. Stream tube geometries are computed using an effective spline-based interpolation and approximation scheme that avoids self-intersection and maintains coherent orientation of the stream tube segments to avoid surface deforming twists. Furthermore, strategies to reduce the geometric and specular aliasing of the stream tubes are discussed.

Ambient Occlusion Effects for Combined Volumes and Tubular Geometry

PubMed Central

Schott, Mathias; Martin, Tobias; Grosset, A.V. Pascal; Smith, Sean T.; Hansen, Charles D.

2013-01-01

This paper details a method for interactive direct volume rendering that computes ambient occlusion effects for visualizations that combine both volumetric and geometric primitives, specifically tube-shaped geometric objects representing streamlines, magnetic field lines or DTI fiber tracts. The algorithm extends the recently presented the directional occlusion shading model to allow the rendering of those geometric shapes in combination with a context providing 3D volume, considering mutual occlusion between structures represented by a volume or geometry. Stream tube geometries are computed using an effective spline-based interpolation and approximation scheme that avoids self-intersection and maintains coherent orientation of the stream tube segments to avoid surface deforming twists. Furthermore, strategies to reduce the geometric and specular aliasing of the stream tubes are discussed. PMID:23559506

Spatial Visualization by Isometric View

ERIC Educational Resources Information Center

Yue, Jianping

2007-01-01

Spatial visualization is a fundamental skill in technical graphics and engineering designs. From conventional multiview drawing to modern solid modeling using computer-aided design, visualization skills have always been essential for representing three-dimensional objects and assemblies. Researchers have developed various types of tests to measure…

Optimization of computations for adjoint field and Jacobian needed in 3D CSEM inversion

NASA Astrophysics Data System (ADS)

Dehiya, Rahul; Singh, Arun; Gupta, Pravin K.; Israil, M.

2017-01-01

We present the features and results of a newly developed code, based on Gauss-Newton optimization technique, for solving three-dimensional Controlled-Source Electromagnetic inverse problem. In this code a special emphasis has been put on representing the operations by block matrices for conjugate gradient iteration. We show how in the computation of Jacobian, the matrix formed by differentiation of system matrix can be made independent of frequency to optimize the operations at conjugate gradient step. The coarse level parallel computing, using OpenMP framework, is used primarily due to its simplicity in implementation and accessibility of shared memory multi-core computing machine to almost anyone. We demonstrate how the coarseness of modeling grid in comparison to source (comp`utational receivers) spacing can be exploited for efficient computing, without compromising the quality of the inverted model, by reducing the number of adjoint calls. It is also demonstrated that the adjoint field can even be computed on a grid coarser than the modeling grid without affecting the inversion outcome. These observations were reconfirmed using an experiment design where the deviation of source from straight tow line is considered. Finally, a real field data inversion experiment is presented to demonstrate robustness of the code.

Numerical Modeling of Gas Turbine Combustor Utilizing One-Dimensional Acoustics

NASA Astrophysics Data System (ADS)

Caley, Thomas M.

This study focuses on the numerical modeling of a gas turbine combustor set-up with known regions of thermoacoustic instability. The proposed model takes the form of a hybrid thermoacoustic network, with lumped elements representing boundary conditions and the flame, and 3-dimensional geometry volumes representing the geometry. The model is analyzed using a commercial 3-D finite element method (FEM) software, COMSOL Multiphysics. A great deal of literature is available covering thermoacoustic modeling, but much of it utilizes more computationally expensive techniques such as Large-Eddy Simulations, or relies on analytical modeling that is limited to specific test cases or proprietary software. The present study models the 3-D geometry of a high-pressure combustion chamber accurately, and uses the lumped elements of a thermoacoustic network to represent parts of the combustor system that can be experimentally tested under stable conditions, ensuring that the recorded acoustic responses can be attributed to that element alone. The numerical model has been tested against the experimental model with and without an experimentally-determined impedance boundary condition. Eigenfrequency studies are used to compare the frequency and growth rates (and from that, the thermoacoustic stability) of resonant modes in the combustor. The flame in the combustor is modeled with a flame transfer function that was determined from experimental testing using frequency forcing. The effect of flow rate on the impedance boundary condition is also examined experimentally and numerically to qualify the practice of modeling an orifice plate as an acoustically-closed boundary. Using the experimental flame transfer function and boundary conditions in the numerical model produced results that closely matched previous experimental tests in frequency, but not in stability characteristics. The lightweight nature of the numerical model means additional lumped elements can be easily added when experimental data is available, creating a more accurate model without noticeably increasing the complexity or computational time.

New Gravity Wave Treatments for GISS Climate Models

NASA Technical Reports Server (NTRS)

Geller, Marvin A.; Zhou, Tiehan; Ruedy, Reto; Aleinov, Igor; Nazarenko, Larissa; Tausnev, Nikolai L.; Sun, Shan; Kelley, Maxwell; Cheng, Ye

2011-01-01

Previous versions of GISS climate models have either used formulations of Rayleigh drag to represent unresolved gravity wave interactions with the model-resolved flow or have included a rather complicated treatment of unresolved gravity waves that, while being climate interactive, involved the specification of a relatively large number of parameters that were not well constrained by observations and also was computationally very expensive. Here, the authors introduce a relatively simple and computationally efficient specification of unresolved orographic and nonorographic gravity waves and their interaction with the resolved flow. Comparisons of the GISS model winds and temperatures with no gravity wave parameterization; with only orographic gravity wave parameterization; and with both orographic and nonorographic gravity wave parameterizations are shown to illustrate how the zonal mean winds and temperatures converge toward observations. The authors also show that the specifications of orographic and nonorographic gravity waves must be different in the Northern and Southern Hemispheres. Then results are presented where the nonorographic gravity wave sources are specified to represent sources from convection in the intertropical convergence zone and spontaneous emission from jet imbalances. Finally, a strategy to include these effects in a climate-dependent manner is suggested.

Physically Based Modeling and Simulation with Dynamic Spherical Volumetric Simplex Splines

PubMed Central

Tan, Yunhao; Hua, Jing; Qin, Hong

2009-01-01

In this paper, we present a novel computational modeling and simulation framework based on dynamic spherical volumetric simplex splines. The framework can handle the modeling and simulation of genus-zero objects with real physical properties. In this framework, we first develop an accurate and efficient algorithm to reconstruct the high-fidelity digital model of a real-world object with spherical volumetric simplex splines which can represent with accuracy geometric, material, and other properties of the object simultaneously. With the tight coupling of Lagrangian mechanics, the dynamic volumetric simplex splines representing the object can accurately simulate its physical behavior because it can unify the geometric and material properties in the simulation. The visualization can be directly computed from the object’s geometric or physical representation based on the dynamic spherical volumetric simplex splines during simulation without interpolation or resampling. We have applied the framework for biomechanic simulation of brain deformations, such as brain shifting during the surgery and brain injury under blunt impact. We have compared our simulation results with the ground truth obtained through intra-operative magnetic resonance imaging and the real biomechanic experiments. The evaluations demonstrate the excellent performance of our new technique. PMID:20161636

Science Education Using a Computer Model-Virtual Puget Sound

NASA Astrophysics Data System (ADS)

Fruland, R.; Winn, W.; Oppenheimer, P.; Stahr, F.; Sarason, C.

2002-12-01

We created an interactive learning environment based on an oceanographic computer model of Puget Sound-Virtual Puget Sound (VPS)-as an alternative to traditional teaching methods. Students immersed in this navigable 3-D virtual environment observed tidal movements and salinity changes, and performed tracer and buoyancy experiments. Scientific concepts were embedded in a goal-based scenario to locate a new sewage outfall in Puget Sound. Traditional science teaching methods focus on distilled representations of agreed-upon knowledge removed from real-world context and scientific debate. Our strategy leverages students' natural interest in their environment, provides meaningful context and engages students in scientific debate and knowledge creation. Results show that VPS provides a powerful learning environment, but highlights the need for research on how to most effectively represent concepts and organize interactions to support scientific inquiry and understanding. Research is also needed to ensure that new technologies and visualizations do not foster misconceptions, including the impression that the model represents reality rather than being a useful tool. In this presentation we review results from prior work with VPS and outline new work for a modeling partnership recently formed with funding from the National Ocean Partnership Program (NOPP).

Solid object visualization of 3D ultrasound data

NASA Astrophysics Data System (ADS)

Nelson, Thomas R.; Bailey, Michael J.

2000-04-01

Visualization of volumetric medical data is challenging. Rapid-prototyping (RP) equipment producing solid object prototype models of computer generated structures is directly applicable to visualization of medical anatomic data. The purpose of this study was to develop methods for transferring 3D Ultrasound (3DUS) data to RP equipment for visualization of patient anatomy. 3DUS data were acquired using research and clinical scanning systems. Scaling information was preserved and the data were segmented using threshold and local operators to extract features of interest, converted from voxel raster coordinate format to a set of polygons representing an iso-surface and transferred to the RP machine to create a solid 3D object. Fabrication required 30 to 60 minutes depending on object size and complexity. After creation the model could be touched and viewed. A '3D visualization hardcopy device' has advantages for conveying spatial relations compared to visualization using computer display systems. The hardcopy model may be used for teaching or therapy planning. Objects may be produced at the exact dimension of the original object or scaled up (or down) to facilitate matching the viewers reference frame more optimally. RP models represent a useful means of communicating important information in a tangible fashion to patients and physicians.

Numerical Modeling of Nanoelectronic Devices

NASA Technical Reports Server (NTRS)

Klimeck, Gerhard; Oyafuso, Fabiano; Bowen, R. Chris; Boykin, Timothy

2003-01-01

Nanoelectronic Modeling 3-D (NEMO 3-D) is a computer program for numerical modeling of the electronic structure properties of a semiconductor device that is embodied in a crystal containing as many as 16 million atoms in an arbitrary configuration and that has overall dimensions of the order of tens of nanometers. The underlying mathematical model represents the quantummechanical behavior of the device resolved to the atomistic level of granularity. The system of electrons in the device is represented by a sparse Hamiltonian matrix that contains hundreds of millions of terms. NEMO 3-D solves the matrix equation on a Beowulf-class cluster computer, by use of a parallel-processing matrix vector multiplication algorithm coupled to a Lanczos and/or Rayleigh-Ritz algorithm that solves for eigenvalues. In a recent update of NEMO 3-D, a new strain treatment, parameterized for bulk material properties of GaAs and InAs, was developed for two tight-binding submodels. The utility of the NEMO 3-D was demonstrated in an atomistic analysis of the effects of disorder in alloys and, in particular, in bulk In(x)Ga(l-x)As and in In0.6Ga0.4As quantum dots.

New Gravity Wave Treatments for GISS Climate Models

NASA Technical Reports Server (NTRS)

Geller, Marvin A.; Zhou, Tiehan; Ruedy, Reto; Aleinov, Igor; Nazarenko, Larissa; Tausnev, Nikolai L.; Sun, Shan; Kelley, Maxwell; Cheng, Ye

2010-01-01

Previous versions of GISS climate models have either used formulations of Rayleigh drag to represent unresolved gravity wave interactions with the model resolved flow or have included a rather complicated treatment of unresolved gravity waves that, while being climate interactive, involved the specification of a relatively large number of parameters that were not well constrained by observations and also was computationally very expensive. Here, we introduce a relatively simple and computationally efficient specification of unresolved orographic and non-orographic gravity waves and their interaction with the resolved flow. We show comparisons of the GISS model winds and temperatures with no gravity wave parametrization; with only orographic gravity wave parameterization; and with both orographic and non-orographic gravity wave parameterizations to illustrate how the zonal mean winds and temperatures converge toward observations. We also show that the specifications of orographic and nonorographic gravity waves must be different in the Northern and Southern Hemispheres. We then show results where the non-orographic gravity wave sources are specified to represent sources from convection in the Intertropical Convergence Zone and spontaneous emission from jet imbalances. Finally, we suggest a strategy to include these effects in a climate dependent manner.

FDTD Modeling of LEMP Propagation in the Earth-Ionosphere Waveguide With Emphasis on Realistic Representation of Lightning Source

NASA Astrophysics Data System (ADS)

Tran, Thang H.; Baba, Yoshihiro; Somu, Vijaya B.; Rakov, Vladimir A.

2017-12-01

The finite difference time domain (FDTD) method in the 2-D cylindrical coordinate system was used to compute the nearly full-frequency-bandwidth vertical electric field and azimuthal magnetic field waveforms produced on the ground surface by lightning return strokes. The lightning source was represented by the modified transmission-line model with linear current decay with height, which was implemented in the FDTD computations as an appropriate vertical phased-current-source array. The conductivity of atmosphere was assumed to increase exponentially with height, with different conductivity profiles being used for daytime and nighttime conditions. The fields were computed at distances ranging from 50 to 500 km. Sky waves (reflections from the ionosphere) were identified in computed waveforms and used for estimation of apparent ionospheric reflection heights. It was found that our model reproduces reasonably well the daytime electric field waveforms measured at different distances and simulated (using a more sophisticated propagation model) by Qin et al. (2017). Sensitivity of model predictions to changes in the parameters of atmospheric conductivity profile, as well as influences of the lightning source characteristics (current waveshape parameters, return-stroke speed, and channel length) and ground conductivity were examined.

Use of Transportable Radiation Detection Instruments to Assess Internal Contamination from Intakes of Radionuclides Part II: Calibration Factors and ICAT Computer Program.

PubMed

Anigstein, Robert; Olsher, Richard H; Loomis, Donald A; Ansari, Armin

2016-12-01

The detonation of a radiological dispersion device or other radiological incidents could result in widespread releases of radioactive materials and intakes of radionuclides by affected individuals. Transportable radiation monitoring instruments could be used to measure radiation from gamma-emitting radionuclides in the body for triaging individuals and assigning priorities to their bioassay samples for in vitro assessments. The present study derived sets of calibration factors for four instruments: the Ludlum Model 44-2 gamma scintillator, a survey meter containing a 2.54 × 2.54-cm NaI(Tl) crystal; the Captus 3000 thyroid uptake probe, which contains a 5.08 × 5.08-cm NaI(Tl) crystal; the Transportable Portal Monitor Model TPM-903B, which contains two 3.81 × 7.62 × 182.9-cm polyvinyltoluene plastic scintillators; and a generic instrument, such as an ionization chamber, that measures exposure rates. The calibration factors enable these instruments to be used for assessing inhaled or ingested intakes of any of four radionuclides: Co, I, Cs, and Ir. The derivations used biokinetic models embodied in the DCAL computer software system developed by the Oak Ridge National Laboratory and Monte Carlo simulations using the MCNPX radiation transport code. The three physical instruments were represented by MCNP models that were developed previously. The affected individuals comprised children of five ages who were represented by the revised Oak Ridge National Laboratory pediatric phantoms, and adult men and adult women represented by the Adult Reference Computational Phantoms described in Publication 110 of the International Commission on Radiological Protection. These calibration factors can be used to calculate intakes; the intakes can be converted to committed doses by the use of tabulated dose coefficients. These calibration factors also constitute input data to the ICAT computer program, an interactive Microsoft Windows-based software package that estimates intakes of radionuclides and cumulative and committed effective doses, based on measurements made with these instruments. This program constitutes a convenient tool for assessing intakes and doses without consulting tabulated calibration factors and dose coefficients.

USE OF TRANSPORTABLE RADIATION DETECTION INSTRUMENTS TO ASSESS INTERNAL CONTAMINATION FROM INTAKES OF RADIONUCLIDES PART II: CALIBRATION FACTORS AND ICAT COMPUTER PROGRAM

PubMed Central

Anigstein, Robert; Olsher, Richard H.; Loomis, Donald A.; Ansari, Armin

2017-01-01

The detonation of a radiological dispersion device or other radiological incidents could result in widespread releases of radioactive materials and intakes of radionuclides by affected individuals. Transportable radiation monitoring instruments could be used to measure radiation from gamma-emitting radionuclides in the body for triaging individuals and assigning priorities to their bioassay samples for in vitro assessments. The present study derived sets of calibration factors for four instruments: the Ludlum Model 44-2 gamma scintillator, a survey meter containing a 2.54 × 2.54-cm NaI(Tl) crystal; the Captus 3000 thyroid uptake probe, which contains a 5.08 × 5.08-cm NaI(Tl) crystal; the Transportable Portal Monitor Model TPM-903B, which contains two 3.81 × 7.62 × 182.9-cm polyvinyltoluene plastic scintillators; and a generic instrument, such as an ionization chamber, that measures exposure rates. The calibration factors enable these instruments to be used for assessing inhaled or ingested intakes of any of four radionuclides: 60Co, 131I, 137Cs, and 192Ir. The derivations used biokinetic models embodied in the DCAL computer software system developed by the Oak Ridge National Laboratory and Monte Carlo simulations using the MCNPX radiation transport code. The three physical instruments were represented by MCNP models that were developed previously. The affected individuals comprised children of five ages who were represented by the revised Oak Ridge National Laboratory pediatric phantoms, and adult men and adult women represented by the Adult Reference Computational Phantoms described in Publication 110 of the International Commission on Radiological Protection. These calibration factors can be used to calculate intakes; the intakes can be converted to committed doses by the use of tabulated dose coefficients. These calibration factors also constitute input data to the ICAT computer program, an interactive Microsoft Windows-based software package that estimates intakes of radionuclides and cumulative and committed effective doses, based on measurements made with these instruments. This program constitutes a convenient tool for assessing intakes and doses without consulting tabulated calibration factors and dose coefficients. PMID:27798478

The YAV-8B simulation and modeling. Volume 2: Program listing

NASA Technical Reports Server (NTRS)

1983-01-01

Detailed mathematical models of varying complexity representative of the YAV-8B aircraft are defined and documented. These models are used in parameter estimation and in linear analysis computer programs while investigating YAV-8B aircraft handling qualities. Both a six degree of freedom nonlinear model and a linearized three degree of freedom longitudinal and lateral directional model were developed. The nonlinear model is based on the mathematical model used on the MCAIR YAV-8B manned flight simulator. This simulator model has undergone periodic updating based on the results of approximately 360 YAV-8B flights and 8000 hours of wind tunnel testing. Qualified YAV-8B flight test pilots have commented that the handling qualities characteristics of the simulator are quite representative of the real aircraft. These comments are validated herein by comparing data from both static and dynamic flight test maneuvers to the same obtained using the nonlinear program.

Global Dynamic Modeling of Space-Geodetic Data

NASA Technical Reports Server (NTRS)

Bird, Peter

1995-01-01

The proposal had outlined a year for program conversion, a year for testing and debugging, and two years for numerical experiments. We kept to that schedule. In first (partial) year, author designed a finite element for isostatic thin-shell deformation on a sphere, derived all of its algebraic and stiffness properties, and embedded it in a new finite element code which derives its basic solution strategy (and some critical subroutines) from earlier flat-Earth codes. Also designed and programmed a new fault element to represent faults along plate boundaries. Wrote a preliminary version of a spherical graphics program for the display of output. Tested this new code for accuracy on individual model plates. Made estimates of the computer-time/cost efficiency of the code for whole-earth grids, which were reasonable. Finally, converted an interactive graphical grid-designer program from Cartesian to spherical geometry to permit the beginning of serious modeling. For reasons of cost efficiency, models are isostatic, and do not consider the local effects of unsupported loads or bending stresses. The requirements are: (1) ability to represent rigid rotation on a sphere; (2) ability to represent a spatially uniform strain-rate tensor in the limit of small elements; and (3) continuity of velocity across all element boundaries. Author designed a 3-node triangle shell element which has two different sets of basis functions to represent (vector) velocity and all other (scalar) variables. Such elements can be shown to converge to the formulas for plane triangles in the limit of small size, but can also applied to cover any area smaller than a hemisphere. The difficult volume integrals involved in computing the stiffness of such elements are performed numerically using 7 Gauss integration points on the surface of the sphere, beneath each of which a vertical integral is performed using about 100 points.

An assessment on the use of bivariate, multivariate and soft computing techniques for collapse susceptibility in GIS environ

NASA Astrophysics Data System (ADS)

Yilmaz, Işik; Marschalko, Marian; Bednarik, Martin

2013-04-01

The paper presented herein compares and discusses the use of bivariate, multivariate and soft computing techniques for collapse susceptibility modelling. Conditional probability (CP), logistic regression (LR) and artificial neural networks (ANN) models representing the bivariate, multivariate and soft computing techniques were used in GIS based collapse susceptibility mapping in an area from Sivas basin (Turkey). Collapse-related factors, directly or indirectly related to the causes of collapse occurrence, such as distance from faults, slope angle and aspect, topographical elevation, distance from drainage, topographic wetness index (TWI), stream power index (SPI), Normalized Difference Vegetation Index (NDVI) by means of vegetation cover, distance from roads and settlements were used in the collapse susceptibility analyses. In the last stage of the analyses, collapse susceptibility maps were produced from the models, and they were then compared by means of their validations. However, Area Under Curve (AUC) values obtained from all three models showed that the map obtained from soft computing (ANN) model looks like more accurate than the other models, accuracies of all three models can be evaluated relatively similar. The results also showed that the conditional probability is an essential method in preparation of collapse susceptibility map and highly compatible with GIS operating features.

Computational Knee Ligament Modeling Using Experimentally Determined Zero-Load Lengths

PubMed Central

Bloemker, Katherine H; Guess, Trent M; Maletsky, Lorin; Dodd, Kevin

2012-01-01

This study presents a subject-specific method of determining the zero-load lengths of the cruciate and collateral ligaments in computational knee modeling. Three cadaver knees were tested in a dynamic knee simulator. The cadaver knees also underwent manual envelope of motion testing to find their passive range of motion in order to determine the zero-load lengths for each ligament bundle. Computational multibody knee models were created for each knee and model kinematics were compared to experimental kinematics for a simulated walk cycle. One-dimensional non-linear spring damper elements were used to represent cruciate and collateral ligament bundles in the knee models. This study found that knee kinematics were highly sensitive to altering of the zero-load length. The results also suggest optimal methods for defining each of the ligament bundle zero-load lengths, regardless of the subject. These results verify the importance of the zero-load length when modeling the knee joint and verify that manual envelope of motion measurements can be used to determine the passive range of motion of the knee joint. It is also believed that the method described here for determining zero-load length can be used for in vitro or in vivo subject-specific computational models. PMID:22523522

An Evaluation of Human Thermal Models for the Study of Immersion Hypothermia Protection Equipment

DTIC Science & Technology

1979-10-12

exhibited by the five experimental observations, largely due to somatotype differences among the subjects. None of the individual responses Is represented...not less than 35°C). A mathematical model capable of accurately simulating the thermal responses of a protected man in a cold environment would be an...flow) responses . The models are most generally expressed as a set of differential equa- tions. Early models were solved using analog computers. The

On Crowd-verification of Biological Networks

PubMed Central

Ansari, Sam; Binder, Jean; Boue, Stephanie; Di Fabio, Anselmo; Hayes, William; Hoeng, Julia; Iskandar, Anita; Kleiman, Robin; Norel, Raquel; O’Neel, Bruce; Peitsch, Manuel C.; Poussin, Carine; Pratt, Dexter; Rhrissorrakrai, Kahn; Schlage, Walter K.; Stolovitzky, Gustavo; Talikka, Marja

2013-01-01

Biological networks with a structured syntax are a powerful way of representing biological information generated from high density data; however, they can become unwieldy to manage as their size and complexity increase. This article presents a crowd-verification approach for the visualization and expansion of biological networks. Web-based graphical interfaces allow visualization of causal and correlative biological relationships represented using Biological Expression Language (BEL). Crowdsourcing principles enable participants to communally annotate these relationships based on literature evidences. Gamification principles are incorporated to further engage domain experts throughout biology to gather robust peer-reviewed information from which relationships can be identified and verified. The resulting network models will represent the current status of biological knowledge within the defined boundaries, here processes related to human lung disease. These models are amenable to computational analysis. For some period following conclusion of the challenge, the published models will remain available for continuous use and expansion by the scientific community. PMID:24151423

Water resources of Borrego Valley and vicinity, San Diego County, California; Phase 2, Development of a ground-water flow model

USGS Publications Warehouse

Mitten, H.T.; Lines, G.C.; Berenbrock, Charles; Durbin, T.J.

1988-01-01

Because of the imbalance between recharge and pumpage, groundwater levels declined as much as 100 ft in some areas of Borrego Valley, California during drinking 1945-80. As an aid to analyzing the effects of pumping on the groundwater system, a three-dimensional finite-element groundwater flow model was developed. The model was calibrated for both steady-state (1945) and transient-state (1946-79) conditions. For the steady-state calibration, hydraulic conductivities of the three aquifers were varied within reasonable limits to obtain an acceptable match between measured and computed hydraulic heads. Recharge from streamflow infiltration (4,800 acre-ft/yr) was balanced by computed evapotranspiration (3,900 acre-ft/yr) and computed subsurface outflow from the model area (930 acre-ft/yr). For the transient state calibration, the volumes and distribution of net groundwater pumpage were estimated from land-use data and estimates of consumptive use for irrigated crops. The pumpage was assigned to the appropriate nodes in the model for each of seventeen 2-year time steps representing the period 1946-79. The specific yields of the three aquifers were varied within reasonable limits to obtain an acceptable match between measured and computed hydraulic heads. Groundwater pumpage input to the model was compensated by declines in both the computed evapotranspiration and the amount of groundwater in storage. (USGS)

A single Markov-type kinetic model accounting for the macroscopic currents of all human voltage-gated sodium channel isoforms.

PubMed

Balbi, Pietro; Massobrio, Paolo; Hellgren Kotaleski, Jeanette

2017-09-01

Modelling ionic channels represents a fundamental step towards developing biologically detailed neuron models. Until recently, the voltage-gated ion channels have been mainly modelled according to the formalism introduced by the seminal works of Hodgkin and Huxley (HH). However, following the continuing achievements in the biophysical and molecular comprehension of these pore-forming transmembrane proteins, the HH formalism turned out to carry limitations and inconsistencies in reproducing the ion-channels electrophysiological behaviour. At the same time, Markov-type kinetic models have been increasingly proven to successfully replicate both the electrophysiological and biophysical features of different ion channels. However, in order to model even the finest non-conducting molecular conformational change, they are often equipped with a considerable number of states and related transitions, which make them computationally heavy and less suitable for implementation in conductance-based neurons and large networks of those. In this purely modelling study we develop a Markov-type kinetic model for all human voltage-gated sodium channels (VGSCs). The model framework is detailed, unifying (i.e., it accounts for all ion-channel isoforms) and computationally efficient (i.e. with a minimal set of states and transitions). The electrophysiological data to be modelled are gathered from previously published studies on whole-cell patch-clamp experiments in mammalian cell lines heterologously expressing the human VGSC subtypes (from NaV1.1 to NaV1.9). By adopting a minimum sequence of states, and using the same state diagram for all the distinct isoforms, the model ensures the lightest computational load when used in neuron models and neural networks of increasing complexity. The transitions between the states are described by original ordinary differential equations, which represent the rate of the state transitions as a function of voltage (i.e., membrane potential). The kinetic model, developed in the NEURON simulation environment, appears to be the simplest and most parsimonious way for a detailed phenomenological description of the human VGSCs electrophysiological behaviour.

Progress in modeling and simulation.

PubMed

Kindler, E

1998-01-01

For the modeling of systems, the computers are more and more used while the other "media" (including the human intellect) carrying the models are abandoned. For the modeling of knowledges, i.e. of more or less general concepts (possibly used to model systems composed of instances of such concepts), the object-oriented programming is nowadays widely used. For the modeling of processes existing and developing in the time, computer simulation is used, the results of which are often presented by means of animation (graphical pictures moving and changing in time). Unfortunately, the object-oriented programming tools are commonly not designed to be of a great use for simulation while the programming tools for simulation do not enable their users to apply the advantages of the object-oriented programming. Nevertheless, there are exclusions enabling to use general concepts represented at a computer, for constructing simulation models and for their easy modification. They are described in the present paper, together with true definitions of modeling, simulation and object-oriented programming (including cases that do not satisfy the definitions but are dangerous to introduce misunderstanding), an outline of their applications and of their further development. In relation to the fact that computing systems are being introduced to be control components into a large spectrum of (technological, social and biological) systems, the attention is oriented to models of systems containing modeling components.

Bayesian models: A statistical primer for ecologists

USGS Publications Warehouse

Hobbs, N. Thompson; Hooten, Mevin B.

2015-01-01

Bayesian modeling has become an indispensable tool for ecological research because it is uniquely suited to deal with complexity in a statistically coherent way. This textbook provides a comprehensive and accessible introduction to the latest Bayesian methods—in language ecologists can understand. Unlike other books on the subject, this one emphasizes the principles behind the computations, giving ecologists a big-picture understanding of how to implement this powerful statistical approach.Bayesian Models is an essential primer for non-statisticians. It begins with a definition of probability and develops a step-by-step sequence of connected ideas, including basic distribution theory, network diagrams, hierarchical models, Markov chain Monte Carlo, and inference from single and multiple models. This unique book places less emphasis on computer coding, favoring instead a concise presentation of the mathematical statistics needed to understand how and why Bayesian analysis works. It also explains how to write out properly formulated hierarchical Bayesian models and use them in computing, research papers, and proposals.This primer enables ecologists to understand the statistical principles behind Bayesian modeling and apply them to research, teaching, policy, and management.Presents the mathematical and statistical foundations of Bayesian modeling in language accessible to non-statisticiansCovers basic distribution theory, network diagrams, hierarchical models, Markov chain Monte Carlo, and moreDeemphasizes computer coding in favor of basic principlesExplains how to write out properly factored statistical expressions representing Bayesian models

Module-based multiscale simulation of angiogenesis in skeletal muscle

PubMed Central

2011-01-01

Background Mathematical modeling of angiogenesis has been gaining momentum as a means to shed new light on the biological complexity underlying blood vessel growth. A variety of computational models have been developed, each focusing on different aspects of the angiogenesis process and occurring at different biological scales, ranging from the molecular to the tissue levels. Integration of models at different scales is a challenging and currently unsolved problem. Results We present an object-oriented module-based computational integration strategy to build a multiscale model of angiogenesis that links currently available models. As an example case, we use this approach to integrate modules representing microvascular blood flow, oxygen transport, vascular endothelial growth factor transport and endothelial cell behavior (sensing, migration and proliferation). Modeling methodologies in these modules include algebraic equations, partial differential equations and agent-based models with complex logical rules. We apply this integrated model to simulate exercise-induced angiogenesis in skeletal muscle. The simulation results compare capillary growth patterns between different exercise conditions for a single bout of exercise. Results demonstrate how the computational infrastructure can effectively integrate multiple modules by coordinating their connectivity and data exchange. Model parameterization offers simulation flexibility and a platform for performing sensitivity analysis. Conclusions This systems biology strategy can be applied to larger scale integration of computational models of angiogenesis in skeletal muscle, or other complex processes in other tissues under physiological and pathological conditions. PMID:21463529

The impact of 14-nm photomask uncertainties on computational lithography solutions

NASA Astrophysics Data System (ADS)

Sturtevant, John; Tejnil, Edita; Lin, Tim; Schultze, Steffen; Buck, Peter; Kalk, Franklin; Nakagawa, Kent; Ning, Guoxiang; Ackmann, Paul; Gans, Fritz; Buergel, Christian

2013-04-01

Computational lithography solutions rely upon accurate process models to faithfully represent the imaging system output for a defined set of process and design inputs. These models, which must balance accuracy demands with simulation runtime boundary conditions, rely upon the accurate representation of multiple parameters associated with the scanner and the photomask. While certain system input variables, such as scanner numerical aperture, can be empirically tuned to wafer CD data over a small range around the presumed set point, it can be dangerous to do so since CD errors can alias across multiple input variables. Therefore, many input variables for simulation are based upon designed or recipe-requested values or independent measurements. It is known, however, that certain measurement methodologies, while precise, can have significant inaccuracies. Additionally, there are known errors associated with the representation of certain system parameters. With shrinking total CD control budgets, appropriate accounting for all sources of error becomes more important, and the cumulative consequence of input errors to the computational lithography model can become significant. In this work, we examine with a simulation sensitivity study, the impact of errors in the representation of photomask properties including CD bias, corner rounding, refractive index, thickness, and sidewall angle. The factors that are most critical to be accurately represented in the model are cataloged. CD Bias values are based on state of the art mask manufacturing data and other variables changes are speculated, highlighting the need for improved metrology and awareness.

bpshape wk4: a computer program that implements a physiological model for analyzing the shape of blood pressure waveforms

NASA Technical Reports Server (NTRS)

Ocasio, W. C.; Rigney, D. R.; Clark, K. P.; Mark, R. G.; Goldberger, A. L. (Principal Investigator)

1993-01-01

We describe the theory and computer implementation of a newly-derived mathematical model for analyzing the shape of blood pressure waveforms. Input to the program consists of an ECG signal, plus a single continuous channel of peripheral blood pressure, which is often obtained invasively from an indwelling catheter during intensive-care monitoring or non-invasively from a tonometer. Output from the program includes a set of parameter estimates, made for every heart beat. Parameters of the model can be interpreted in terms of the capacitance of large arteries, the capacitance of peripheral arteries, the inertance of blood flow, the peripheral resistance, and arterial pressure due to basal vascular tone. Aortic flow due to contraction of the left ventricle is represented by a forcing function in the form of a descending ramp, the area under which represents the stroke volume. Differential equations describing the model are solved by the method of Laplace transforms, permitting rapid parameter estimation by the Levenberg-Marquardt algorithm. Parameter estimates and their confidence intervals are given in six examples, which are chosen to represent a variety of pressure waveforms that are observed during intensive-care monitoring. The examples demonstrate that some of the parameters may fluctuate markedly from beat to beat. Our program will find application in projects that are intended to correlate the details of the blood pressure waveform with other physiological variables, pathological conditions, and the effects of interventions.

Efficient calculation of full waveform time domain inversion for electromagnetic problem using fictitious wave domain method and cascade decimation decomposition

NASA Astrophysics Data System (ADS)

Imamura, N.; Schultz, A.

2016-12-01

Recently, a full waveform time domain inverse solution has been developed for the magnetotelluric (MT) and controlled-source electromagnetic (CSEM) methods. The ultimate goal of this approach is to obtain a computationally tractable direct waveform joint inversion to solve simultaneously for source fields and earth conductivity structure in three and four dimensions. This is desirable on several grounds, including the improved spatial resolving power expected from use of a multitude of source illuminations, the ability to operate in areas of high levels of source signal spatial complexity, and non-stationarity. This goal would not be obtainable if one were to adopt the pure time domain solution for the inverse problem. This is particularly true for the case of MT surveys, since an enormous number of degrees of freedom are required to represent the observed MT waveforms across a large frequency bandwidth. This means that for the forward simulation, the smallest time steps should be finer than that required to represent the highest frequency, while the number of time steps should also cover the lowest frequency. This leads to a sensitivity matrix that is computationally burdensome to solve a model update. We have implemented a code that addresses this situation through the use of cascade decimation decomposition to reduce the size of the sensitivity matrix substantially, through quasi-equivalent time domain decomposition. We also use a fictitious wave domain method to speed up computation time of the forward simulation in the time domain. By combining these refinements, we have developed a full waveform joint source field/earth conductivity inverse modeling method. We found that cascade decimation speeds computations of the sensitivity matrices dramatically, keeping the solution close to that of the undecimated case. For example, for a model discretized into 2.6x105 cells, we obtain model updates in less than 1 hour on a 4U rack-mounted workgroup Linux server, which is a practical computational time for the inverse problem.

CFD Evaluation of a 3rd Generation LDI Combustor

NASA Technical Reports Server (NTRS)

Ajmani, Kumud; Mongia, Hukam; Lee, Phil

2017-01-01

An effort was undertaken to perform CFD analysis of fluid flow in Lean-Direct Injection (LDI) combustors with axial swirl-venturi elements for next-generation LDI-3 combustor design. The National Combustion Code (NCC) was used to perform non-reacting and two-phase reacting flow computations for a nineteen-element injector array arranged in a three-module, 7-5-7 element configuration. All computations were performed with a consistent approach of mesh-optimization, spray-modeling, ignition and kinetics-modeling with the NCC. Computational predictions of the aerodynamics of the injector were used to arrive at an optimal injector design that meets effective area and fuel-air mixing criteria. LDI-3 emissions (EINOx, EICO and UHC) were compared with the previous generation LDI-2 combustor experimental data at representative engine cycle conditions.

Comparison of Computational and Experimental Results for a Transonic Variable-Speed Power-Turbine Blade Operating with Low Inlet Turbulence Levels

NASA Technical Reports Server (NTRS)

Booth, David; Flegel, Ashlie

2015-01-01

A computational assessment of the aerodynamic performance of the midspan section of a variable-speed power-turbine blade is described. The computation comprises a periodic single blade that represents the 2-D Midspan section VSPT blade that was tested in the NASA Glenn Research Center Transonic Turbine Blade Cascade Facility. A commercial, off-the-shelf (COTS) software package, Pointwise and CFD++, was used for the grid generation and RANS and URANS computations. The CFD code, which offers flexibility in terms of turbulence and transition modeling options, was assessed in terms of blade loading, loss, and turning against test data from the transonic tunnel. Simulations were assessed at positive and negative incidence angles that represent the turbine cruise and take-off design conditions. The results indicate that the secondary flow induced at the positive incidence cruise condition results in a highly loaded case and transitional flow on the blade is observed. The negative incidence take-off condition is unloaded and the flow is very two-dimensional. The computational results demonstrate the predictive capability of the gridding technique and COTS software for a linear transonic turbine blade cascade with large incidence angle variation.

Comparison of Computational and Experimental Results for a Transonic Variable-speed Power-Turbine Blade Operating with Low Inlet Turbulence Levels

NASA Technical Reports Server (NTRS)

Booth, David T.; Flegel, Ashlie B.

2015-01-01

A computational assessment of the aerodynamic performance of the midspan section of a variable-speed power-turbine blade is described. The computation comprises a periodic single blade that represents the 2-D Midspan section VSPT blade that was tested in the NASA Glenn Research Center Transonic Turbine Blade Cascade Facility. A commercial, off-the-shelf (COTS) software package, Pointwise and CFD++, was used for the grid generation and RANS and URANS computations. The CFD code, which offers flexibility in terms of turbulence and transition modeling options, was assessed in terms of blade loading, loss, and turning against test data from the transonic tunnel. Simulations were assessed at positive and negative incidence angles that represent the turbine cruise and take-off design conditions. The results indicate that the secondary flow induced at the positive incidence cruise condition results in a highly loaded case and transitional flow on the blade is observed. The negative incidence take-off condition is unloaded and the flow is very two-dimensional. The computational results demonstrate the predictive capability of the gridding technique and COTS software for a linear transonic turbine blade cascade with large incidence angle variation.

Radar Data Processing Using a Distributed Computational System

DTIC Science & Technology

1992-06-01

objects to processors must reduce Toc (N) (i.e., the time to compute on 85 N nodes) [Ref. 28]. Time spent communicating can represent a degradation of...de Sistemas e Computaq&o, s/ data. [9] Vilhena R. "IntroduqAo aos Algoritmos para Processamento de Marcaq6es e DistAncias", Escola Naval - Notas de...Aula - Automaq&o de Sistemas Navais, s/ data. (101 Averbuch A., Itzikcwitz S., and Kapon T. "Parallel Implementation of Multiple Model Tracking

A production planning model considering uncertain demand using two-stage stochastic programming in a fresh vegetable supply chain context.

PubMed

Mateo, Jordi; Pla, Lluis M; Solsona, Francesc; Pagès, Adela

2016-01-01

Production planning models are achieving more interest for being used in the primary sector of the economy. The proposed model relies on the formulation of a location model representing a set of farms susceptible of being selected by a grocery shop brand to supply local fresh products under seasonal contracts. The main aim is to minimize overall procurement costs and meet future demand. This kind of problem is rather common in fresh vegetable supply chains where producers are located in proximity either to processing plants or retailers. The proposed two-stage stochastic model determines which suppliers should be selected for production contracts to ensure high quality products and minimal time from farm-to-table. Moreover, Lagrangian relaxation and parallel computing algorithms are proposed to solve these instances efficiently in a reasonable computational time. The results obtained show computational gains from our algorithmic proposals in front of the usage of plain CPLEX solver. Furthermore, the results ensure the competitive advantages of using the proposed model by purchase managers in the fresh vegetables industry.

Toward a computational model of hemostasis

NASA Astrophysics Data System (ADS)

Leiderman, Karin; Danes, Nicholas; Schoeman, Rogier; Neeves, Keith

2017-11-01

Hemostasis is the process by which a blood clot forms to prevent bleeding at a site of injury. The formation time, size and structure of a clot depends on the local hemodynamics and the nature of the injury. Our group has previously developed computational models to study intravascular clot formation, a process confined to the interior of a single vessel. Here we present the first stage of an experimentally-validated, computational model of extravascular clot formation (hemostasis) in which blood through a single vessel initially escapes through a hole in the vessel wall and out a separate injury channel. This stage of the model consists of a system of partial differential equations that describe platelet aggregation and hemodynamics, solved via the finite element method. We also present results from the analogous, in vitro, microfluidic model. In both models, formation of a blood clot occludes the injury channel and stops flow from escaping while blood in the main vessel retains its fluidity. We discuss the different biochemical and hemodynamic effects on clot formation using distinct geometries representing intra- and extravascular injuries.

"The Effect of Alternative Representations of Lake ...

EPA Pesticide Factsheets

Lakes can play a significant role in regional climate, modulating inland extremes in temperature and enhancing precipitation. Representing these effects becomes more important as regional climate modeling (RCM) efforts focus on simulating smaller scales. When using the Weather Research and Forecasting (WRF) model to downscale future global climate model (GCM) projections into RCM simulations, model users typically must rely on the GCM to represent temperatures at all water points. However, GCMs have insufficient resolution to adequately represent even large inland lakes, such as the Great Lakes. Some interpolation methods, such as setting lake surface temperatures (LSTs) equal to the nearest water point, can result in inland lake temperatures being set from sea surface temperatures (SSTs) that are hundreds of km away. In other cases, a single point is tasked with representing multiple large, heterogeneous lakes. Similar consequences can result from interpolating ice from GCMs to inland lake points, resulting in lakes as large as Lake Superior freezing completely in the space of a single timestep. The use of a computationally-efficient inland lake model can improve RCM simulations where the input data is too coarse to adequately represent inland lake temperatures and ice (Gula and Peltier 2012). This study examines three scenarios under which ice and LSTs can be set within the WRF model when applied as an RCM to produce 2-year simulations at 12 km gri

A Coarse-Grained Protein Model in a Water-like Solvent

NASA Astrophysics Data System (ADS)

Sharma, Sumit; Kumar, Sanat K.; Buldyrev, Sergey V.; Debenedetti, Pablo G.; Rossky, Peter J.; Stanley, H. Eugene

2013-05-01

Simulations employing an explicit atom description of proteins in solvent can be computationally expensive. On the other hand, coarse-grained protein models in implicit solvent miss essential features of the hydrophobic effect, especially its temperature dependence, and have limited ability to capture the kinetics of protein folding. We propose a free space two-letter protein (``H-P'') model in a simple, but qualitatively accurate description for water, the Jagla model, which coarse-grains water into an isotropically interacting sphere. Using Monte Carlo simulations, we design protein-like sequences that can undergo a collapse, exposing the ``Jagla-philic'' monomers to the solvent, while maintaining a ``hydrophobic'' core. This protein-like model manifests heat and cold denaturation in a manner that is reminiscent of proteins. While this protein-like model lacks the details that would introduce secondary structure formation, we believe that these ideas represent a first step in developing a useful, but computationally expedient, means of modeling proteins.

DSGRN: Examining the Dynamics of Families of Logical Models.

PubMed

Cummins, Bree; Gedeon, Tomas; Harker, Shaun; Mischaikow, Konstantin

2018-01-01

We present a computational tool DSGRN for exploring the dynamics of a network by computing summaries of the dynamics of switching models compatible with the network across all parameters. The network can arise directly from a biological problem, or indirectly as the interaction graph of a Boolean model. This tool computes a finite decomposition of parameter space such that for each region, the state transition graph that describes the coarse dynamical behavior of a network is the same. Each of these parameter regions corresponds to a different logical description of the network dynamics. The comparison of dynamics across parameters with experimental data allows the rejection of parameter regimes or entire networks as viable models for representing the underlying regulatory mechanisms. This in turn allows a search through the space of perturbations of a given network for networks that robustly fit the data. These are the first steps toward discovering a network that optimally matches the observed dynamics by searching through the space of networks.

Computer Simulation of Spatial Arrangement and Connectivity of Particles in Three-Dimensional Microstructure: Application to Model Electrical Conductivity of Polymer Matrix Composite

NASA Technical Reports Server (NTRS)

Louis, P.; Gokhale, A. M.

1996-01-01

Computer simulation is a powerful tool for analyzing the geometry of three-dimensional microstructure. A computer simulation model is developed to represent the three-dimensional microstructure of a two-phase particulate composite where particles may be in contact with one another but do not overlap significantly. The model is used to quantify the "connectedness" of the particulate phase of a polymer matrix composite containing hollow carbon particles in a dielectric polymer resin matrix. The simulations are utilized to estimate the morphological percolation volume fraction for electrical conduction, and the effective volume fraction of the particles that actually take part in the electrical conduction. The calculated values of the effective volume fraction are used as an input for a self-consistent physical model for electrical conductivity. The predicted values of electrical conductivity are in very good agreement with the corresponding experimental data on a series of specimens having different particulate volume fraction.

QM/QM approach to model energy disorder in amorphous organic semiconductors.

PubMed

Friederich, Pascal; Meded, Velimir; Symalla, Franz; Elstner, Marcus; Wenzel, Wolfgang

2015-02-10

It is an outstanding challenge to model the electronic properties of organic amorphous materials utilized in organic electronics. Computation of the charge carrier mobility is a challenging problem as it requires integration of morphological and electronic degrees of freedom in a coherent methodology and depends strongly on the distribution of polaron energies in the system. Here we represent a QM/QM model to compute the polaron energies combining density functional methods for molecules in the vicinity of the polaron with computationally efficient density functional based tight binding methods in the rest of the environment. For seven widely used amorphous organic semiconductor materials, we show that the calculations are accelerated up to 1 order of magnitude without any loss in accuracy. Considering that the quantum chemical step is the efficiency bottleneck of a workflow to model the carrier mobility, these results are an important step toward accurate and efficient disordered organic semiconductors simulations, a prerequisite for accelerated materials screening and consequent component optimization in the organic electronics industry.

Computational Model of Population Dynamics Based on the Cell Cycle and Local Interactions

NASA Astrophysics Data System (ADS)

Oprisan, Sorinel Adrian; Oprisan, Ana

2005-03-01

Our study bridges cellular (mesoscopic) level interactions and global population (macroscopic) dynamics of carcinoma. The morphological differences and transitions between well and smooth defined benign tumors and tentacular malignat tumors suggest a theoretical analysis of tumor invasion based on the development of mathematical models exhibiting bifurcations of spatial patterns in the density of tumor cells. Our computational model views the most representative and clinically relevant features of oncogenesis as a fight between two distinct sub-systems: the immune system of the host and the neoplastic system. We implemented the neoplastic sub-system using a three-stage cell cycle: active, dormant, and necrosis. The second considered sub-system consists of cytotoxic active (effector) cells — EC, with a very broad phenotype ranging from NK cells to CTL cells, macrophages, etc. Based on extensive numerical simulations, we correlated the fractal dimensions for carcinoma, which could be obtained from tumor imaging, with the malignat stage. Our computational model was able to also simulate the effects of surgical, chemotherapeutical, and radiotherapeutical treatments.

Study on the application of mobile internet cloud computing platform

NASA Astrophysics Data System (ADS)

Gong, Songchun; Fu, Songyin; Chen, Zheng

2012-04-01

The innovative development of computer technology promotes the application of the cloud computing platform, which actually is the substitution and exchange of a sort of resource service models and meets the needs of users on the utilization of different resources after changes and adjustments of multiple aspects. "Cloud computing" owns advantages in many aspects which not merely reduce the difficulties to apply the operating system and also make it easy for users to search, acquire and process the resources. In accordance with this point, the author takes the management of digital libraries as the research focus in this paper, and analyzes the key technologies of the mobile internet cloud computing platform in the operation process. The popularization and promotion of computer technology drive people to create the digital library models, and its core idea is to strengthen the optimal management of the library resource information through computers and construct an inquiry and search platform with high performance, allowing the users to access to the necessary information resources at any time. However, the cloud computing is able to promote the computations within the computers to distribute in a large number of distributed computers, and hence implement the connection service of multiple computers. The digital libraries, as a typical representative of the applications of the cloud computing, can be used to carry out an analysis on the key technologies of the cloud computing.

Do more intelligent brains retain heightened plasticity for longer in development? A computational investigation.

PubMed

Thomas, Michael S C

2016-06-01

Twin studies indicate that the heritability of general cognitive ability - the genetic contribution to individual differences - increases with age. Brant et al. (2013) reported that this increase in heritability occurs earlier in development for low ability children than high ability children. Allied with structural brain imaging results that indicate faster thickening and thinning of cortex for high ability children (Shaw et al., 2006), Brant and colleagues argued higher cognitive ability represents an extended sensitive period for brain development. However, they admitted no coherent mechanistic account can currently reconcile the key empirical data. Here, computational methods are employed to demonstrate the empirical data can be reconciled without recourse to variations in sensitive periods. These methods utilized population-based artificial neural network models of cognitive development. In the model, ability-related variations stemmed from the timing of the increases in the non-linearity of computational processes, causing dizygotic twins to diverge in their behavior. These occurred in a population where: (a) ability was determined by the combined small contributions of many neurocomputational factors, and (b) individual differences in ability were largely genetically constrained. The model's explanation of developmental increases in heritability contrasts with proposals that these increases represent emerging gene-environment correlations (Haworth et al., 2010). The article advocates simulating inherited individual differences within an explicitly developmental framework. Copyright © 2016 The Author. Published by Elsevier Ltd.. All rights reserved.

Wave propagation in equivalent continuums representing truss lattice materials

DOE PAGES

Messner, Mark C.; Barham, Matthew I.; Kumar, Mukul; ...

2015-07-29

Stiffness scales linearly with density in stretch-dominated lattice meta-materials offering the possibility of very light yet very stiff structures. Current additive manufacturing techniques can assemble structures from lattice materials, but the design of such structures will require accurate, efficient simulation methods. Equivalent continuum models have several advantages over discrete truss models of stretch dominated lattices, including computational efficiency and ease of model construction. However, the development an equivalent model suitable for representing the dynamic response of a periodic truss in the small deformation regime is complicated by microinertial effects. This study derives a dynamic equivalent continuum model for periodic trussmore » structures suitable for representing long-wavelength wave propagation and verifies it against the full Bloch wave theory and detailed finite element simulations. The model must incorporate microinertial effects to accurately reproduce long wavelength characteristics of the response such as anisotropic elastic soundspeeds. Finally, the formulation presented here also improves upon previous work by preserving equilibrium at truss joints for simple lattices and by improving numerical stability by eliminating vertices in the effective yield surface.« less

Relative Importance of Nitrite Oxidation by Hypochlorous Acid under Chloramination Conditions

EPA Science Inventory

The importance of nitrite’s oxidation by tree chlorine under chloramination conditions was evaluated using batch kinetic experiments and a chloramine model implemented into the computer program AWUASIM. The experimental data was best represented with the inclusion of a reaction b...

GSTARS computer models and their applications, Part II: Applications

USGS Publications Warehouse

Simoes, F.J.M.; Yang, C.T.

2008-01-01

In part 1 of this two-paper series, a brief summary of the basic concepts and theories used in developing the Generalized Stream Tube model for Alluvial River Simulation (GSTARS) computer models was presented. Part 2 provides examples that illustrate some of the capabilities of the GSTARS models and how they can be applied to solve a wide range of river and reservoir sedimentation problems. Laboratory and field case studies are used and the examples show representative applications of the earlier and of the more recent versions of GSTARS. Some of the more recent capabilities implemented in GSTARS3, one of the latest versions of the series, are also discussed here with more detail. ?? 2008 International Research and Training Centre on Erosion and Sedimentation and the World Association for Sedimentation and Erosion Research.

Agent based simulations in disease modeling Comment on "Towards a unified approach in the modeling of fibrosis: A review with research perspectives" by Martine Ben Amar and Carlo Bianca

NASA Astrophysics Data System (ADS)

Pappalardo, Francesco; Pennisi, Marzio

2016-07-01

Fibrosis represents a process where an excessive tissue formation in an organ follows the failure of a physiological reparative or reactive process. Mathematical and computational techniques may be used to improve the understanding of the mechanisms that lead to the disease and to test potential new treatments that may directly or indirectly have positive effects against fibrosis [1]. In this scenario, Ben Amar and Bianca [2] give us a broad picture of the existing mathematical and computational tools that have been used to model fibrotic processes at the molecular, cellular, and tissue levels. Among such techniques, agent based models (ABM) can give a valuable contribution in the understanding and better management of fibrotic diseases.

Indonesia’s Electricity Demand Dynamic Modelling

NASA Astrophysics Data System (ADS)

Sulistio, J.; Wirabhuana, A.; Wiratama, M. G.

2017-06-01

Electricity Systems modelling is one of the emerging area in the Global Energy policy studies recently. System Dynamics approach and Computer Simulation has become one the common methods used in energy systems planning and evaluation in many conditions. On the other hand, Indonesia experiencing several major issues in Electricity system such as fossil fuel domination, demand - supply imbalances, distribution inefficiency, and bio-devastation. This paper aims to explain the development of System Dynamics modelling approaches and computer simulation techniques in representing and predicting electricity demand in Indonesia. In addition, this paper also described the typical characteristics and relationship of commercial business sector, industrial sector, and family / domestic sector as electricity subsystems in Indonesia. Moreover, it will be also present direct structure, behavioural, and statistical test as model validation approach and ended by conclusions.

Comparison of Groundwater Level Models Based on Artificial Neural Networks and ANFIS

PubMed Central

Domazet, Milka; Stricevic, Ruzica; Pocuca, Vesna; Spalevic, Velibor; Pivic, Radmila; Gregoric, Enika; Domazet, Uros

2015-01-01

Water table forecasting plays an important role in the management of groundwater resources in agricultural regions where there are drainage systems in river valleys. The results presented in this paper pertain to an area along the left bank of the Danube River, in the Province of Vojvodina, which is the northern part of Serbia. Two soft computing techniques were used in this research: an adaptive neurofuzzy inference system (ANFIS) and an artificial neural network (ANN) model for one-month water table forecasts at several wells located at different distances from the river. The results suggest that both these techniques represent useful tools for modeling hydrological processes in agriculture, with similar computing and memory capabilities, such that they constitute an exceptionally good numerical framework for generating high-quality models. PMID:26759830

Comparison of Groundwater Level Models Based on Artificial Neural Networks and ANFIS.

PubMed

Djurovic, Nevenka; Domazet, Milka; Stricevic, Ruzica; Pocuca, Vesna; Spalevic, Velibor; Pivic, Radmila; Gregoric, Enika; Domazet, Uros

2015-01-01

Water table forecasting plays an important role in the management of groundwater resources in agricultural regions where there are drainage systems in river valleys. The results presented in this paper pertain to an area along the left bank of the Danube River, in the Province of Vojvodina, which is the northern part of Serbia. Two soft computing techniques were used in this research: an adaptive neurofuzzy inference system (ANFIS) and an artificial neural network (ANN) model for one-month water table forecasts at several wells located at different distances from the river. The results suggest that both these techniques represent useful tools for modeling hydrological processes in agriculture, with similar computing and memory capabilities, such that they constitute an exceptionally good numerical framework for generating high-quality models.

Evaluation of computing systems using functionals of a Stochastic process

NASA Technical Reports Server (NTRS)

Meyer, J. F.; Wu, L. T.

1980-01-01

An intermediate model was used to represent the probabilistic nature of a total system at a level which is higher than the base model and thus closer to the performance variable. A class of intermediate models, which are generally referred to as functionals of a Markov process, were considered. A closed form solution of performability for the case where performance is identified with the minimum value of a functional was developed.

Computing Strongly Connected Components in the Streaming Model

NASA Astrophysics Data System (ADS)

Laura, Luigi; Santaroni, Federico

In this paper we present the first algorithm to compute the Strongly Connected Components of a graph in the datastream model (W-Stream), where the graph is represented by a stream of edges and we are allowed to produce intermediate output streams. The algorithm is simple, effective, and can be implemented with few lines of code: it looks at each edge in the stream, and selects the appropriate action with respect to a tree T, representing the graph connectivity seen so far. We analyze the theoretical properties of the algorithm: correctness, memory occupation (O(n logn)), per item processing time (bounded by the current height of T), and number of passes (bounded by the maximal height of T). We conclude by presenting a brief experimental evaluation of the algorithm against massive synthetic and real graphs that confirms its effectiveness: with graphs with up to 100M nodes and 4G edges, only few passes are needed, and millions of edges per second are processed.

Biosorption of gold from computer microprocessor leachate solutions using chitin.

PubMed

Côrtes, Letícia N; Tanabe, Eduardo H; Bertuol, Daniel A; Dotto, Guilherme L

2015-11-01

The biosorption of gold from discarded computer microprocessor (DCM) leachate solutions was studied using chitin as a biosorbent. The DCM components were leached with thiourea solutions, and two procedures were tested for recovery of gold from the leachates: (1) biosorption and (2) precipitation followed by biosorption. For each procedure, the biosorption was evaluated considering kinetic, equilibrium, and thermodynamic aspects. The general order model was able to represent the kinetic behavior, and the equilibrium was well represented by the BET model. The maximum biosorption capacities were around 35 mg g(-1) for both procedures. The biosorption of gold on chitin was a spontaneous, favorable, and exothermic process. It was found that precipitation followed by biosorption resulted in the best gold recovery, because other species were removed from the leachate solution in the precipitation step. This method enabled about 80% of the gold to be recovered, using 20 g L(-1) of chitin at 298 K for 4 h. Copyright © 2015 Elsevier Ltd. All rights reserved.

Web Ontologies to Categorialy Structure Reality: Representations of Human Emotional, Cognitive, and Motivational Processes

PubMed Central

López-Gil, Juan-Miguel; Gil, Rosa; García, Roberto

2016-01-01

This work presents a Web ontology for modeling and representation of the emotional, cognitive and motivational state of online learners, interacting with university systems for distance or blended education. The ontology is understood as a way to provide the required mechanisms to model reality and associate it to emotional responses, but without committing to a particular way of organizing these emotional responses. Knowledge representation for the contributed ontology is performed by using Web Ontology Language (OWL), a semantic web language designed to represent rich and complex knowledge about things, groups of things, and relations between things. OWL is a computational logic-based language such that computer programs can exploit knowledge expressed in OWL and also facilitates sharing and reusing knowledge using the global infrastructure of the Web. The proposed ontology has been tested in the field of Massive Open Online Courses (MOOCs) to check if it is capable of representing emotions and motivation of the students in this context of use. PMID:27199796

Swimming in a two-dimensional Brinkman fluid: Computational modeling and regularized solutions

NASA Astrophysics Data System (ADS)

Leiderman, Karin; Olson, Sarah D.

2016-02-01

The incompressible Brinkman equation represents the homogenized fluid flow past obstacles that comprise a small volume fraction. In nondimensional form, the Brinkman equation can be characterized by a single parameter that represents the friction or resistance due to the obstacles. In this work, we derive an exact fundamental solution for 2D Brinkman flow driven by a regularized point force and describe the numerical method to use it in practice. To test our solution and method, we compare numerical results with an analytic solution of a stationary cylinder in a uniform Brinkman flow. Our method is also compared to asymptotic theory; for an infinite-length, undulating sheet of small amplitude, we recover an increasing swimming speed as the resistance is increased. With this computational framework, we study a model swimmer of finite length and observe an enhancement in propulsion and efficiency for small to moderate resistance. Finally, we study the interaction of two swimmers where attraction does not occur when the initial separation distance is larger than the screening length.

Efficient computation of electrograms and ECGs in human whole heart simulations using a reaction-eikonal model.

PubMed

Neic, Aurel; Campos, Fernando O; Prassl, Anton J; Niederer, Steven A; Bishop, Martin J; Vigmond, Edward J; Plank, Gernot

2017-10-01

Anatomically accurate and biophysically detailed bidomain models of the human heart have proven a powerful tool for gaining quantitative insight into the links between electrical sources in the myocardium and the concomitant current flow in the surrounding medium as they represent their relationship mechanistically based on first principles. Such models are increasingly considered as a clinical research tool with the perspective of being used, ultimately, as a complementary diagnostic modality. An important prerequisite in many clinical modeling applications is the ability of models to faithfully replicate potential maps and electrograms recorded from a given patient. However, while the personalization of electrophysiology models based on the gold standard bidomain formulation is in principle feasible, the associated computational expenses are significant, rendering their use incompatible with clinical time frames. In this study we report on the development of a novel computationally efficient reaction-eikonal (R-E) model for modeling extracellular potential maps and electrograms. Using a biventricular human electrophysiology model, which incorporates a topologically realistic His-Purkinje system (HPS), we demonstrate by comparing against a high-resolution reaction-diffusion (R-D) bidomain model that the R-E model predicts extracellular potential fields, electrograms as well as ECGs at the body surface with high fidelity and offers vast computational savings greater than three orders of magnitude. Due to their efficiency R-E models are ideally suitable for forward simulations in clinical modeling studies which attempt to personalize electrophysiological model features.

Efficient computation of electrograms and ECGs in human whole heart simulations using a reaction-eikonal model

NASA Astrophysics Data System (ADS)

Neic, Aurel; Campos, Fernando O.; Prassl, Anton J.; Niederer, Steven A.; Bishop, Martin J.; Vigmond, Edward J.; Plank, Gernot

2017-10-01

Anatomically accurate and biophysically detailed bidomain models of the human heart have proven a powerful tool for gaining quantitative insight into the links between electrical sources in the myocardium and the concomitant current flow in the surrounding medium as they represent their relationship mechanistically based on first principles. Such models are increasingly considered as a clinical research tool with the perspective of being used, ultimately, as a complementary diagnostic modality. An important prerequisite in many clinical modeling applications is the ability of models to faithfully replicate potential maps and electrograms recorded from a given patient. However, while the personalization of electrophysiology models based on the gold standard bidomain formulation is in principle feasible, the associated computational expenses are significant, rendering their use incompatible with clinical time frames. In this study we report on the development of a novel computationally efficient reaction-eikonal (R-E) model for modeling extracellular potential maps and electrograms. Using a biventricular human electrophysiology model, which incorporates a topologically realistic His-Purkinje system (HPS), we demonstrate by comparing against a high-resolution reaction-diffusion (R-D) bidomain model that the R-E model predicts extracellular potential fields, electrograms as well as ECGs at the body surface with high fidelity and offers vast computational savings greater than three orders of magnitude. Due to their efficiency R-E models are ideally suitable for forward simulations in clinical modeling studies which attempt to personalize electrophysiological model features.

Ground temperature measurement by PRT-5 for maps experiment

NASA Technical Reports Server (NTRS)

Gupta, S. K.; Tiwari, S. N.

1978-01-01

A simple algorithm and computer program were developed for determining the actual surface temperature from the effective brightness temperature as measured remotely by a radiation thermometer called PRT-5. This procedure allows the computation of atmospheric correction to the effective brightness temperature without performing detailed radiative transfer calculations. Model radiative transfer calculations were performed to compute atmospheric corrections for several values of the surface and atmospheric parameters individually and in combination. Polynomial regressions were performed between the magnitudes or deviations of these parameters and the corresponding computed corrections to establish simple analytical relations between them. Analytical relations were also developed to represent combined correction for simultaneous variation of parameters in terms of their individual corrections.

The Real-Time Wall Interference Correction System of the NASA Ames 12-Foot Pressure Wind Tunnel

NASA Technical Reports Server (NTRS)

Ulbrich, Norbert

1998-01-01

An improved version of the Wall Signature Method was developed to compute wall interference effects in three-dimensional subsonic wind tunnel testing of aircraft models in real-time. The method may be applied to a full-span or a semispan model. A simplified singularity representation of the aircraft model is used. Fuselage, support system, propulsion simulator, and separation wake volume blockage effects are represented by point sources and sinks. Lifting effects are represented by semi-infinite line doublets. The singularity representation of the test article is combined with the measurement of wind tunnel test reference conditions, wall pressure, lift force, thrust force, pitching moment, rolling moment, and pre-computed solutions of the subsonic potential equation to determine first order wall interference corrections. Second order wall interference corrections for pitching and rolling moment coefficient are also determined. A new procedure is presented that estimates a rolling moment coefficient correction for wings with non-symmetric lift distribution. Experimental data obtained during the calibration of the Ames Bipod model support system and during tests of two semispan models mounted on an image plane in the NASA Ames 12 ft. Pressure Wind Tunnel are used to demonstrate the application of the wall interference correction method.

Molecular Dynamics based on a Generalized Born solvation model: application to protein folding

NASA Astrophysics Data System (ADS)

Onufriev, Alexey

2004-03-01

An accurate description of the aqueous environment is essential for realistic biomolecular simulations, but may become very expensive computationally. We have developed a version of the Generalized Born model suitable for describing large conformational changes in macromolecules. The model represents the solvent implicitly as continuum with the dielectric properties of water, and include charge screening effects of salt. The computational cost associated with the use of this model in Molecular Dynamics simulations is generally considerably smaller than the cost of representing water explicitly. Also, compared to traditional Molecular Dynamics simulations based on explicit water representation, conformational changes occur much faster in implicit solvation environment due to the absence of viscosity. The combined speed-up allow one to probe conformational changes that occur on much longer effective time-scales. We apply the model to folding of a 46-residue three helix bundle protein (residues 10-55 of protein A, PDB ID 1BDD). Starting from an unfolded structure at 450 K, the protein folds to the lowest energy state in 6 ns of simulation time, which takes about a day on a 16 processor SGI machine. The predicted structure differs from the native one by 2.4 A (backbone RMSD). Analysis of the structures seen on the folding pathway reveals details of the folding process unavailable form experiment.

Toward Better Modeling of Supercritical Turbulent Mixing

NASA Technical Reports Server (NTRS)

Selle, Laurent; Okongo'o, Nora; Bellan, Josette; Harstad, Kenneth

2008-01-01

study was done as part of an effort to develop computational models representing turbulent mixing under thermodynamic supercritical (here, high pressure) conditions. The question was whether the large-eddy simulation (LES) approach, developed previously for atmospheric-pressure compressible-perfect-gas and incompressible flows, can be extended to real-gas non-ideal (including supercritical) fluid mixtures. [In LES, the governing equations are approximated such that the flow field is spatially filtered and subgrid-scale (SGS) phenomena are represented by models.] The study included analyses of results from direct numerical simulation (DNS) of several such mixing layers based on the Navier-Stokes, total-energy, and conservation- of-chemical-species governing equations. Comparison of LES and DNS results revealed the need to augment the atmospheric- pressure LES equations with additional SGS momentum and energy terms. These new terms are the direct result of high-density-gradient-magnitude regions found in the DNS and observed experimentally under fully turbulent flow conditions. A model has been derived for the new term in the momentum equation and was found to perform well at small filter size but to deteriorate with increasing filter size. Several alternative models were derived for the new SGS term in the energy equation that would need further investigations to determine if they are too computationally intensive in LES.

Extraction and representation of common feature from uncertain facial expressions with cloud model.

PubMed

Wang, Shuliang; Chi, Hehua; Yuan, Hanning; Geng, Jing

2017-12-01

Human facial expressions are key ingredient to convert an individual's innate emotion in communication. However, the variation of facial expressions affects the reliable identification of human emotions. In this paper, we present a cloud model to extract facial features for representing human emotion. First, the uncertainties in facial expression are analyzed in the context of cloud model. The feature extraction and representation algorithm is established under cloud generators. With forward cloud generator, facial expression images can be re-generated as many as we like for visually representing the extracted three features, and each feature shows different roles. The effectiveness of the computing model is tested on Japanese Female Facial Expression database. Three common features are extracted from seven facial expression images. Finally, the paper is concluded and remarked.

Modeling of edge effect in subaperture tool influence functions of computer controlled optical surfacing.

PubMed

Wan, Songlin; Zhang, Xiangchao; He, Xiaoying; Xu, Min

2016-12-20

Computer controlled optical surfacing requires an accurate tool influence function (TIF) for reliable path planning and deterministic fabrication. Near the edge of the workpieces, the TIF has a nonlinear removal behavior, which will cause a severe edge-roll phenomenon. In the present paper, a new edge pressure model is developed based on the finite element analysis results. The model is represented as the product of a basic pressure function and a correcting function. The basic pressure distribution is calculated according to the surface shape of the polishing pad, and the correcting function is used to compensate the errors caused by the edge effect. Practical experimental results demonstrate that the new model can accurately predict the edge TIFs with different overhang ratios. The relative error of the new edge model can be reduced to 15%.

Pececillo

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

Carlson, Neil; Jibben, Zechariah; Brady, Peter

2017-06-28

Pececillo is a proxy-app for the open source Truchas metal processing code (LA-CC-15-097). It implements many of the physics models used in Truchas: free-surface, incompressible Navier-Stokes fluid dynamics (e.g., water waves); heat transport, material phase change, view factor thermal radiation; species advection-diffusion; quasi-static, elastic/plastic solid mechanics with contact; electomagnetics (Maxwell's equations). The models are simplified versions that retain the fundamental computational complexity of the Truchas models while omitting many non-essential features and modeling capabilities. The purpose is to expose Truchas algorithms in a greatly simplified context where computer science problems related to parallel performance on advanced architectures can be moremore » easily investigated. While Pececillo is capable of performing simulations representative of typical Truchas metal casting, welding, and additive manufacturing simulations, it lacks many of the modeling capabilites needed for real applications.« less

Computer-aided controllability assessment of generic manned Space Station concepts

NASA Technical Reports Server (NTRS)

Ferebee, M. J.; Deryder, L. J.; Heck, M. L.

1984-01-01

NASA's Concept Development Group assessment methodology for the on-orbit rigid body controllability characteristics of each generic configuration proposed for the manned space station is presented; the preliminary results obtained represent the first step in the analysis of these eight configurations. Analytical computer models of each configuration were developed by means of the Interactive Design Evaluation of Advanced Spacecraft CAD system, which created three-dimensional geometry models of each configuration to establish dimensional requirements for module connectivity, payload accommodation, and Space Shuttle berthing; mass, center-of-gravity, inertia, and aerodynamic drag areas were then derived. Attention was also given to the preferred flight attitude of each station concept.

Permeability of model porous medium formed by random discs

NASA Astrophysics Data System (ADS)

Gubaidullin, A. A.; Gubkin, A. S.; Igoshin, D. E.; Ignatev, P. A.

2018-03-01

Two-dimension model of the porous medium with skeleton of randomly located overlapping discs is proposed. The geometry and computational grid are built in open package Salome. Flow of Newtonian liquid in longitudinal and transverse directions is calculated and its flow rate is defined. The numerical solution of the Navier-Stokes equations for a given pressure drop at the boundaries of the area is realized in the open package OpenFOAM. Calculated value of flow rate is used for defining of permeability coefficient on the base of Darcy law. For evaluating of representativeness of computational domain the permeability coefficients in longitudinal and transverse directions are compered.

Preface to MOST-ONISW 2009

NASA Astrophysics Data System (ADS)

Doerr, Martin; Freitas, Fred; Guizzardi, Giancarlo; Han, Hyoil

Ontology is a cross-disciplinary field concerned with the study of concepts and theories that can be used for representing shared conceptualizations of specific domains. Ontological Engineering is a discipline in computer and information science concerned with the development of techniques, methods, languages and tools for the systematic construction of concrete artifacts capturing these representations, i.e., models (e.g., domain ontologies) and metamodels (e.g., upper-level ontologies). In recent years, there has been a growing interest in the application of formal ontology and ontological engineering to solve modeling problems in diverse areas in computer science such as software and data engineering, knowledge representation, natural language processing, information science, among many others.

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.

The Layer-Oriented Approach to Declarative Languages for Biological Modeling

PubMed Central

Raikov, Ivan; De Schutter, Erik

2012-01-01

We present a new approach to modeling languages for computational biology, which we call the layer-oriented approach. The approach stems from the observation that many diverse biological phenomena are described using a small set of mathematical formalisms (e.g. differential equations), while at the same time different domains and subdomains of computational biology require that models are structured according to the accepted terminology and classification of that domain. Our approach uses distinct semantic layers to represent the domain-specific biological concepts and the underlying mathematical formalisms. Additional functionality can be transparently added to the language by adding more layers. This approach is specifically concerned with declarative languages, and throughout the paper we note some of the limitations inherent to declarative approaches. The layer-oriented approach is a way to specify explicitly how high-level biological modeling concepts are mapped to a computational representation, while abstracting away details of particular programming languages and simulation environments. To illustrate this process, we define an example language for describing models of ionic currents, and use a general mathematical notation for semantic transformations to show how to generate model simulation code for various simulation environments. We use the example language to describe a Purkinje neuron model and demonstrate how the layer-oriented approach can be used for solving several practical issues of computational neuroscience model development. We discuss the advantages and limitations of the approach in comparison with other modeling language efforts in the domain of computational biology and outline some principles for extensible, flexible modeling language design. We conclude by describing in detail the semantic transformations defined for our language. PMID:22615554

The layer-oriented approach to declarative languages for biological modeling.

PubMed

Raikov, Ivan; De Schutter, Erik

2012-01-01

We present a new approach to modeling languages for computational biology, which we call the layer-oriented approach. The approach stems from the observation that many diverse biological phenomena are described using a small set of mathematical formalisms (e.g. differential equations), while at the same time different domains and subdomains of computational biology require that models are structured according to the accepted terminology and classification of that domain. Our approach uses distinct semantic layers to represent the domain-specific biological concepts and the underlying mathematical formalisms. Additional functionality can be transparently added to the language by adding more layers. This approach is specifically concerned with declarative languages, and throughout the paper we note some of the limitations inherent to declarative approaches. The layer-oriented approach is a way to specify explicitly how high-level biological modeling concepts are mapped to a computational representation, while abstracting away details of particular programming languages and simulation environments. To illustrate this process, we define an example language for describing models of ionic currents, and use a general mathematical notation for semantic transformations to show how to generate model simulation code for various simulation environments. We use the example language to describe a Purkinje neuron model and demonstrate how the layer-oriented approach can be used for solving several practical issues of computational neuroscience model development. We discuss the advantages and limitations of the approach in comparison with other modeling language efforts in the domain of computational biology and outline some principles for extensible, flexible modeling language design. We conclude by describing in detail the semantic transformations defined for our language.

Summary on several key techniques in 3D geological modeling.

PubMed

Mei, Gang

2014-01-01

Several key techniques in 3D geological modeling including planar mesh generation, spatial interpolation, and surface intersection are summarized in this paper. Note that these techniques are generic and widely used in various applications but play a key role in 3D geological modeling. There are two essential procedures in 3D geological modeling: the first is the simulation of geological interfaces using geometric surfaces and the second is the building of geological objects by means of various geometric computations such as the intersection of surfaces. Discrete geometric surfaces that represent geological interfaces can be generated by creating planar meshes first and then spatially interpolating; those surfaces intersect and then form volumes that represent three-dimensional geological objects such as rock bodies. In this paper, the most commonly used algorithms of the key techniques in 3D geological modeling are summarized.

Numerical procedure to determine geometric view factors for surfaces occluded by cylinders

NASA Technical Reports Server (NTRS)

Sawyer, P. L.

1978-01-01

A numerical procedure was developed to determine geometric view factors between connected infinite strips occluded by any number of infinite circular cylinders. The procedure requires a two-dimensional cross-sectional model of the configuration of interest. The two-dimensional model consists of a convex polygon enclosing any number of circles. Each side of the polygon represents one strip, and each circle represents a circular cylinder. A description and listing of a computer program based on this procedure are included in this report. The program calculates geometric view factors between individual strips and between individual strips and the collection of occluding cylinders.

Cellerator: extending a computer algebra system to include biochemical arrows for signal transduction simulations

NASA Technical Reports Server (NTRS)

Shapiro, Bruce E.; Levchenko, Andre; Meyerowitz, Elliot M.; Wold, Barbara J.; Mjolsness, Eric D.

2003-01-01

Cellerator describes single and multi-cellular signal transduction networks (STN) with a compact, optionally palette-driven, arrow-based notation to represent biochemical reactions and transcriptional activation. Multi-compartment systems are represented as graphs with STNs embedded in each node. Interactions include mass-action, enzymatic, allosteric and connectionist models. Reactions are translated into differential equations and can be solved numerically to generate predictive time courses or output as systems of equations that can be read by other programs. Cellerator simulations are fully extensible and portable to any operating system that supports Mathematica, and can be indefinitely nested within larger data structures to produce highly scaleable models.

Local spatio-temporal analysis in vision systems

NASA Astrophysics Data System (ADS)

Geisler, Wilson S.; Bovik, Alan; Cormack, Lawrence; Ghosh, Joydeep; Gildeen, David

1994-07-01

The aims of this project are the following: (1) develop a physiologically and psychophysically based model of low-level human visual processing (a key component of which are local frequency coding mechanisms); (2) develop image models and image-processing methods based upon local frequency coding; (3) develop algorithms for performing certain complex visual tasks based upon local frequency representations, (4) develop models of human performance in certain complex tasks based upon our understanding of low-level processing; and (5) develop a computational testbed for implementing, evaluating and visualizing the proposed models and algorithms, using a massively parallel computer. Progress has been substantial on all aims. The highlights include the following: (1) completion of a number of psychophysical and physiological experiments revealing new, systematic and exciting properties of the primate (human and monkey) visual system; (2) further development of image models that can accurately represent the local frequency structure in complex images; (3) near completion in the construction of the Texas Active Vision Testbed; (4) development and testing of several new computer vision algorithms dealing with shape-from-texture, shape-from-stereo, and depth-from-focus; (5) implementation and evaluation of several new models of human visual performance; and (6) evaluation, purchase and installation of a MasPar parallel computer.

Process and representation in graphical displays

NASA Technical Reports Server (NTRS)

Gillan, Douglas J.; Lewis, Robert; Rudisill, Marianne

1993-01-01

Our initial model of graphic comprehension has focused on statistical graphs. Like other models of human-computer interaction, models of graphical comprehension can be used by human-computer interface designers and developers to create interfaces that present information in an efficient and usable manner. Our investigation of graph comprehension addresses two primary questions: how do people represent the information contained in a data graph?; and how do they process information from the graph? The topics of focus for graphic representation concern the features into which people decompose a graph and the representations of the graph in memory. The issue of processing can be further analyzed as two questions: what overall processing strategies do people use?; and what are the specific processing skills required?

A neurocomputational system for relational reasoning.

PubMed

Knowlton, Barbara J; Morrison, Robert G; Hummel, John E; Holyoak, Keith J

2012-07-01

The representation and manipulation of structured relations is central to human reasoning. Recent work in computational modeling and neuroscience has set the stage for developing more detailed neurocomputational models of these abilities. Several key neural findings appear to dovetail with computational constraints derived from a model of analogical processing, 'Learning and Inference with Schemas and Analogies' (LISA). These include evidence that (i) coherent oscillatory activity in the gamma and theta bands enables long-distance communication between the prefrontal cortex and posterior brain regions where information is stored; (ii) neurons in prefrontal cortex can rapidly learn to represent abstract concepts; (iii) a rostral-caudal abstraction gradient exists in the PFC; and (iv) the inferior frontal gyrus exerts inhibitory control over task-irrelevant information. Copyright © 2012. Published by Elsevier Ltd.

Numerical modelling of cryogenic propellant behavior in low-G

NASA Technical Reports Server (NTRS)

Hochstein, John I.

1987-01-01

A partial survey is presented of recent research, sponsored by the NASA Lewis Research Center, into the computational modelling of cryogenic propellant behavior in a low gravity environment. This presentation is intended to provide insight into some of the specific problems being studied and into how these studies are part of an integrated plan to develop predictive capabilities. A brief description of the computational models developed to analyze jet induced mixing in cryogenic propellant tankage is presented along with representative results. Similar information is presented for a recent examination of on-orbit self-pressurization. A study of propellant reorientation has recently been initiated and preliminary results are included. The presentation concludes with a list of ongoing efforts and projected goals.

Towards Anatomic Scale Agent-Based Modeling with a Massively Parallel Spatially Explicit General-Purpose Model of Enteric Tissue (SEGMEnT_HPC)

PubMed Central

Cockrell, Robert Chase; Christley, Scott; Chang, Eugene; An, Gary

2015-01-01

Perhaps the greatest challenge currently facing the biomedical research community is the ability to integrate highly detailed cellular and molecular mechanisms to represent clinical disease states as a pathway to engineer effective therapeutics. This is particularly evident in the representation of organ-level pathophysiology in terms of abnormal tissue structure, which, through histology, remains a mainstay in disease diagnosis and staging. As such, being able to generate anatomic scale simulations is a highly desirable goal. While computational limitations have previously constrained the size and scope of multi-scale computational models, advances in the capacity and availability of high-performance computing (HPC) resources have greatly expanded the ability of computational models of biological systems to achieve anatomic, clinically relevant scale. Diseases of the intestinal tract are exemplary examples of pathophysiological processes that manifest at multiple scales of spatial resolution, with structural abnormalities present at the microscopic, macroscopic and organ-levels. In this paper, we describe a novel, massively parallel computational model of the gut, the Spatially Explicitly General-purpose Model of Enteric Tissue_HPC (SEGMEnT_HPC), which extends an existing model of the gut epithelium, SEGMEnT, in order to create cell-for-cell anatomic scale simulations. We present an example implementation of SEGMEnT_HPC that simulates the pathogenesis of ileal pouchitis, and important clinical entity that affects patients following remedial surgery for ulcerative colitis. PMID:25806784

Dynamic electronic institutions in agent oriented cloud robotic systems.

PubMed

Nagrath, Vineet; Morel, Olivier; Malik, Aamir; Saad, Naufal; Meriaudeau, Fabrice

2015-01-01

The dot-com bubble bursted in the year 2000 followed by a swift movement towards resource virtualization and cloud computing business model. Cloud computing emerged not as new form of computing or network technology but a mere remoulding of existing technologies to suit a new business model. Cloud robotics is understood as adaptation of cloud computing ideas for robotic applications. Current efforts in cloud robotics stress upon developing robots that utilize computing and service infrastructure of the cloud, without debating on the underlying business model. HTM5 is an OMG's MDA based Meta-model for agent oriented development of cloud robotic systems. The trade-view of HTM5 promotes peer-to-peer trade amongst software agents. HTM5 agents represent various cloud entities and implement their business logic on cloud interactions. Trade in a peer-to-peer cloud robotic system is based on relationships and contracts amongst several agent subsets. Electronic Institutions are associations of heterogeneous intelligent agents which interact with each other following predefined norms. In Dynamic Electronic Institutions, the process of formation, reformation and dissolution of institutions is automated leading to run time adaptations in groups of agents. DEIs in agent oriented cloud robotic ecosystems bring order and group intellect. This article presents DEI implementations through HTM5 methodology.

Introduction to bioinformatics.

PubMed

Can, Tolga

2014-01-01

Bioinformatics is an interdisciplinary field mainly involving molecular biology and genetics, computer science, mathematics, and statistics. Data intensive, large-scale biological problems are addressed from a computational point of view. The most common problems are modeling biological processes at the molecular level and making inferences from collected data. A bioinformatics solution usually involves the following steps: Collect statistics from biological data. Build a computational model. Solve a computational modeling problem. Test and evaluate a computational algorithm. This chapter gives a brief introduction to bioinformatics by first providing an introduction to biological terminology and then discussing some classical bioinformatics problems organized by the types of data sources. Sequence analysis is the analysis of DNA and protein sequences for clues regarding function and includes subproblems such as identification of homologs, multiple sequence alignment, searching sequence patterns, and evolutionary analyses. Protein structures are three-dimensional data and the associated problems are structure prediction (secondary and tertiary), analysis of protein structures for clues regarding function, and structural alignment. Gene expression data is usually represented as matrices and analysis of microarray data mostly involves statistics analysis, classification, and clustering approaches. Biological networks such as gene regulatory networks, metabolic pathways, and protein-protein interaction networks are usually modeled as graphs and graph theoretic approaches are used to solve associated problems such as construction and analysis of large-scale networks.

Porting marine ecosystem model spin-up using transport matrices to GPUs

NASA Astrophysics Data System (ADS)

Siewertsen, E.; Piwonski, J.; Slawig, T.

2013-01-01

We have ported an implementation of the spin-up for marine ecosystem models based on transport matrices to graphics processing units (GPUs). The original implementation was designed for distributed-memory architectures and uses the Portable, Extensible Toolkit for Scientific Computation (PETSc) library that is based on the Message Passing Interface (MPI) standard. The spin-up computes a steady seasonal cycle of ecosystem tracers with climatological ocean circulation data as forcing. Since the transport is linear with respect to the tracers, the resulting operator is represented by matrices. Each iteration of the spin-up involves two matrix-vector multiplications and the evaluation of the used biogeochemical model. The original code was written in C and Fortran. On the GPU, we use the Compute Unified Device Architecture (CUDA) standard, a customized version of PETSc and a commercial CUDA Fortran compiler. We describe the extensions to PETSc and the modifications of the original C and Fortran codes that had to be done. Here we make use of freely available libraries for the GPU. We analyze the computational effort of the main parts of the spin-up for two exemplar ecosystem models and compare the overall computational time to those necessary on different CPUs. The results show that a consumer GPU can compete with a significant number of cluster CPUs without further code optimization.

3-D minimum-structure inversion of magnetotelluric data using the finite-element method and tetrahedral grids

NASA Astrophysics Data System (ADS)

Jahandari, H.; Farquharson, C. G.

2017-11-01

Unstructured grids enable representing arbitrary structures more accurately and with fewer cells compared to regular structured grids. These grids also allow more efficient refinements compared to rectilinear meshes. In this study, tetrahedral grids are used for the inversion of magnetotelluric (MT) data, which allows for the direct inclusion of topography in the model, for constraining an inversion using a wireframe-based geological model and for local refinement at the observation stations. A minimum-structure method with an iterative model-space Gauss-Newton algorithm for optimization is used. An iterative solver is employed for solving the normal system of equations at each Gauss-Newton step and the sensitivity matrix-vector products that are required by this solver are calculated using pseudo-forward problems. This method alleviates the need to explicitly form the Hessian or Jacobian matrices which significantly reduces the required computation memory. Forward problems are formulated using an edge-based finite-element approach and a sparse direct solver is used for the solutions. This solver allows saving and re-using the factorization of matrices for similar pseudo-forward problems within a Gauss-Newton iteration which greatly minimizes the computation time. Two examples are presented to show the capability of the algorithm: the first example uses a benchmark model while the second example represents a realistic geological setting with topography and a sulphide deposit. The data that are inverted are the full-tensor impedance and the magnetic transfer function vector. The inversions sufficiently recovered the models and reproduced the data, which shows the effectiveness of unstructured grids for complex and realistic MT inversion scenarios. The first example is also used to demonstrate the computational efficiency of the presented model-space method by comparison with its data-space counterpart.

Population of computational rabbit-specific ventricular action potential models for investigating sources of variability in cellular repolarisation.

PubMed

Gemmell, Philip; Burrage, Kevin; Rodriguez, Blanca; Quinn, T Alexander

2014-01-01

Variability is observed at all levels of cardiac electrophysiology. Yet, the underlying causes and importance of this variability are generally unknown, and difficult to investigate with current experimental techniques. The aim of the present study was to generate populations of computational ventricular action potential models that reproduce experimentally observed intercellular variability of repolarisation (represented by action potential duration) and to identify its potential causes. A systematic exploration of the effects of simultaneously varying the magnitude of six transmembrane current conductances (transient outward, rapid and slow delayed rectifier K(+), inward rectifying K(+), L-type Ca(2+), and Na(+)/K(+) pump currents) in two rabbit-specific ventricular action potential models (Shannon et al. and Mahajan et al.) at multiple cycle lengths (400, 600, 1,000 ms) was performed. This was accomplished with distributed computing software specialised for multi-dimensional parameter sweeps and grid execution. An initial population of 15,625 parameter sets was generated for both models at each cycle length. Action potential durations of these populations were compared to experimentally derived ranges for rabbit ventricular myocytes. 1,352 parameter sets for the Shannon model and 779 parameter sets for the Mahajan model yielded action potential duration within the experimental range, demonstrating that a wide array of ionic conductance values can be used to simulate a physiological rabbit ventricular action potential. Furthermore, by using clutter-based dimension reordering, a technique that allows visualisation of multi-dimensional spaces in two dimensions, the interaction of current conductances and their relative importance to the ventricular action potential at different cycle lengths were revealed. Overall, this work represents an important step towards a better understanding of the role that variability in current conductances may play in experimentally observed intercellular variability of rabbit ventricular action potential repolarisation.

Population of Computational Rabbit-Specific Ventricular Action Potential Models for Investigating Sources of Variability in Cellular Repolarisation

PubMed Central

Gemmell, Philip; Burrage, Kevin; Rodriguez, Blanca; Quinn, T. Alexander

2014-01-01

Variability is observed at all levels of cardiac electrophysiology. Yet, the underlying causes and importance of this variability are generally unknown, and difficult to investigate with current experimental techniques. The aim of the present study was to generate populations of computational ventricular action potential models that reproduce experimentally observed intercellular variability of repolarisation (represented by action potential duration) and to identify its potential causes. A systematic exploration of the effects of simultaneously varying the magnitude of six transmembrane current conductances (transient outward, rapid and slow delayed rectifier K+, inward rectifying K+, L-type Ca2+, and Na+/K+ pump currents) in two rabbit-specific ventricular action potential models (Shannon et al. and Mahajan et al.) at multiple cycle lengths (400, 600, 1,000 ms) was performed. This was accomplished with distributed computing software specialised for multi-dimensional parameter sweeps and grid execution. An initial population of 15,625 parameter sets was generated for both models at each cycle length. Action potential durations of these populations were compared to experimentally derived ranges for rabbit ventricular myocytes. 1,352 parameter sets for the Shannon model and 779 parameter sets for the Mahajan model yielded action potential duration within the experimental range, demonstrating that a wide array of ionic conductance values can be used to simulate a physiological rabbit ventricular action potential. Furthermore, by using clutter-based dimension reordering, a technique that allows visualisation of multi-dimensional spaces in two dimensions, the interaction of current conductances and their relative importance to the ventricular action potential at different cycle lengths were revealed. Overall, this work represents an important step towards a better understanding of the role that variability in current conductances may play in experimentally observed intercellular variability of rabbit ventricular action potential repolarisation. PMID:24587229

Verification of predicted specimen-specific natural and implanted patellofemoral kinematics during simulated deep knee bend.

PubMed

Baldwin, Mark A; Clary, Chadd; Maletsky, Lorin P; Rullkoetter, Paul J

2009-10-16

Verified computational models represent an efficient method for studying the relationship between articular geometry, soft-tissue constraint, and patellofemoral (PF) mechanics. The current study was performed to evaluate an explicit finite element (FE) modeling approach for predicting PF kinematics in the natural and implanted knee. Experimental three-dimensional kinematic data were collected on four healthy cadaver specimens in their natural state and after total knee replacement in the Kansas knee simulator during a simulated deep knee bend activity. Specimen-specific FE models were created from medical images and CAD implant geometry, and included soft-tissue structures representing medial-lateral PF ligaments and the quadriceps tendon. Measured quadriceps loads and prescribed tibiofemoral kinematics were used to predict dynamic kinematics of an isolated PF joint between 10 degrees and 110 degrees femoral flexion. Model sensitivity analyses were performed to determine the effect of rigid or deformable patellar representations and perturbed PF ligament mechanical properties (pre-tension and stiffness) on model predictions and computational efficiency. Predicted PF kinematics from the deformable analyses showed average root mean square (RMS) differences for the natural and implanted states of less than 3.1 degrees and 1.7 mm for all rotations and translations. Kinematic predictions with rigid bodies increased average RMS values slightly to 3.7 degrees and 1.9 mm with a five-fold decrease in computational time. Two-fold increases and decreases in PF ligament initial strain and linear stiffness were found to most adversely affect kinematic predictions for flexion, internal-external tilt and inferior-superior translation in both natural and implanted states. The verified models could be used to further investigate the effects of component alignment or soft-tissue variability on natural and implant PF mechanics.

Formulation and Validation of an Efficient Computational Model for a Dilute, Settling Suspension Undergoing Rotational Mixing

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

Sprague, Michael A.; Stickel, Jonathan J.; Sitaraman, Hariswaran

Designing processing equipment for the mixing of settling suspensions is a challenging problem. Achieving low-cost mixing is especially difficult for the application of slowly reacting suspended solids because the cost of impeller power consumption becomes quite high due to the long reaction times (batch mode) or due to large-volume reactors (continuous mode). Further, the usual scale-up metrics for mixing, e.g., constant tip speed and constant power per volume, do not apply well for mixing of suspensions. As an alternative, computational fluid dynamics (CFD) can be useful for analyzing mixing at multiple scales and determining appropriate mixer designs and operating parameters.more » We developed a mixture model to describe the hydrodynamics of a settling cellulose suspension. The suspension motion is represented as a single velocity field in a computationally efficient Eulerian framework. The solids are represented by a scalar volume-fraction field that undergoes transport due to particle diffusion, settling, fluid advection, and shear stress. A settling model and a viscosity model, both functions of volume fraction, were selected to fit experimental settling and viscosity data, respectively. Simulations were performed with the open-source Nek5000 CFD program, which is based on the high-order spectral-finite-element method. Simulations were performed for the cellulose suspension undergoing mixing in a laboratory-scale vane mixer. The settled-bed heights predicted by the simulations were in semi-quantitative agreement with experimental observations. Further, the simulation results were in quantitative agreement with experimentally obtained torque and mixing-rate data, including a characteristic torque bifurcation. In future work, we plan to couple this CFD model with a reaction-kinetics model for the enzymatic digestion of cellulose, allowing us to predict enzymatic digestion performance for various mixing intensities and novel reactor designs.« less

Monte Carlo analysis of uncertainty propagation in a stratospheric model. 1: Development of a concise stratospheric model

NASA Technical Reports Server (NTRS)

Rundel, R. D.; Butler, D. M.; Stolarski, R. S.

1977-01-01

A concise model has been developed to analyze uncertainties in stratospheric perturbations, yet uses a minimum of computer time and is complete enough to represent the results of more complex models. The steady state model applies iteration to achieve coupling between interacting species. The species are determined from diffusion equations with appropriate sources and sinks. Diurnal effects due to chlorine nitrate formation are accounted for by analytic approximation. The model has been used to evaluate steady state perturbations due to injections of chlorine and NO(X).

Parallelisation study of a three-dimensional environmental flow model

NASA Astrophysics Data System (ADS)

O'Donncha, Fearghal; Ragnoli, Emanuele; Suits, Frank

2014-03-01

There are many simulation codes in the geosciences that are serial and cannot take advantage of the parallel computational resources commonly available today. One model important for our work in coastal ocean current modelling is EFDC, a Fortran 77 code configured for optimal deployment on vector computers. In order to take advantage of our cache-based, blade computing system we restructured EFDC from serial to parallel, thereby allowing us to run existing models more quickly, and to simulate larger and more detailed models that were previously impractical. Since the source code for EFDC is extensive and involves detailed computation, it is important to do such a port in a manner that limits changes to the files, while achieving the desired speedup. We describe a parallelisation strategy involving surgical changes to the source files to minimise error-prone alteration of the underlying computations, while allowing load-balanced domain decomposition for efficient execution on a commodity cluster. The use of conjugate gradient posed particular challenges due to implicit non-local communication posing a hindrance to standard domain partitioning schemes; a number of techniques are discussed to address this in a feasible, computationally efficient manner. The parallel implementation demonstrates good scalability in combination with a novel domain partitioning scheme that specifically handles mixed water/land regions commonly found in coastal simulations. The approach presented here represents a practical methodology to rejuvenate legacy code on a commodity blade cluster with reasonable effort; our solution has direct application to other similar codes in the geosciences.

Infection Threshold for an Epidemic Model in Site and Bond Percolation Worlds

NASA Astrophysics Data System (ADS)

Sakisaka, Yukio; Yoshimura, Jin; Takeuchi, Yasuhiro; Sugiura, Koji; Tainaka, Kei-ichi

2010-02-01

We investigate an epidemic model on a square lattice with two protection treatments: prevention and quarantine. To explore the effects of both treatments, we apply the site and bond percolations. Computer simulations reveal that the threshold between endemic and disease-free phases can be represented by a single scaling law. The mean-field theory qualitatively predicts such infection dynamics and the scaling law.

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.

Generalized Born Models of Macromolecular Solvation Effects

NASA Astrophysics Data System (ADS)

Bashford, Donald; Case, David A.

2000-10-01

It would often be useful in computer simulations to use a simple description of solvation effects, instead of explicitly representing the individual solvent molecules. Continuum dielectric models often work well in describing the thermodynamic aspects of aqueous solvation, and approximations to such models that avoid the need to solve the Poisson equation are attractive because of their computational efficiency. Here we give an overview of one such approximation, the generalized Born model, which is simple and fast enough to be used for molecular dynamics simulations of proteins and nucleic acids. We discuss its strengths and weaknesses, both for its fidelity to the underlying continuum model and for its ability to replace explicit consideration of solvent molecules in macromolecular simulations. We focus particularly on versions of the generalized Born model that have a pair-wise analytical form, and therefore fit most naturally into conventional molecular mechanics calculations.

DEVELOPMENT AND VALIDATION OF A MULTIFIELD MODEL OF CHURN-TURBULENT GAS/LIQUID FLOWS

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

Elena A. Tselishcheva; Steven P. Antal; Michael Z. Podowski

The accuracy of numerical predictions for gas/liquid two-phase flows using Computational Multiphase Fluid Dynamics (CMFD) methods strongly depends on the formulation of models governing the interaction between the continuous liquid field and bubbles of different sizes. The purpose of this paper is to develop, test and validate a multifield model of adiabatic gas/liquid flows at intermediate gas concentrations (e.g., churn-turbulent flow regime), in which multiple-size bubbles are divided into a specified number of groups, each representing a prescribed range of sizes. The proposed modeling concept uses transport equations for the continuous liquid field and for each bubble field. The overallmore » model has been implemented in the NPHASE-CMFD computer code. The results of NPHASE-CMFD simulations have been validated against the experimental data from the TOPFLOW test facility. Also, a parametric analysis on the effect of various modeling assumptions has been performed.« less

Model selection and parameter estimation in structural dynamics using approximate Bayesian computation

NASA Astrophysics Data System (ADS)

Ben Abdessalem, Anis; Dervilis, Nikolaos; Wagg, David; Worden, Keith

2018-01-01

This paper will introduce the use of the approximate Bayesian computation (ABC) algorithm for model selection and parameter estimation in structural dynamics. ABC is a likelihood-free method typically used when the likelihood function is either intractable or cannot be approached in a closed form. To circumvent the evaluation of the likelihood function, simulation from a forward model is at the core of the ABC algorithm. The algorithm offers the possibility to use different metrics and summary statistics representative of the data to carry out Bayesian inference. The efficacy of the algorithm in structural dynamics is demonstrated through three different illustrative examples of nonlinear system identification: cubic and cubic-quintic models, the Bouc-Wen model and the Duffing oscillator. The obtained results suggest that ABC is a promising alternative to deal with model selection and parameter estimation issues, specifically for systems with complex behaviours.

Automatic network coupling analysis for dynamical systems based on detailed kinetic models.

PubMed

Lebiedz, Dirk; Kammerer, Julia; Brandt-Pollmann, Ulrich

2005-10-01

We introduce a numerical complexity reduction method for the automatic identification and analysis of dynamic network decompositions in (bio)chemical kinetics based on error-controlled computation of a minimal model dimension represented by the number of (locally) active dynamical modes. Our algorithm exploits a generalized sensitivity analysis along state trajectories and subsequent singular value decomposition of sensitivity matrices for the identification of these dominant dynamical modes. It allows for a dynamic coupling analysis of (bio)chemical species in kinetic models that can be exploited for the piecewise computation of a minimal model on small time intervals and offers valuable functional insight into highly nonlinear reaction mechanisms and network dynamics. We present results for the identification of network decompositions in a simple oscillatory chemical reaction, time scale separation based model reduction in a Michaelis-Menten enzyme system and network decomposition of a detailed model for the oscillatory peroxidase-oxidase enzyme system.

Material point method modeling in oil and gas reservoirs

DOEpatents

Vanderheyden, William Brian; Zhang, Duan

2016-06-28

A computer system and method of simulating the behavior of an oil and gas reservoir including changes in the margins of frangible solids. A system of equations including state equations such as momentum, and conservation laws such as mass conservation and volume fraction continuity, are defined and discretized for at least two phases in a modeled volume, one of which corresponds to frangible material. A material point model technique for numerically solving the system of discretized equations, to derive fluid flow at each of a plurality of mesh nodes in the modeled volume, and the velocity of at each of a plurality of particles representing the frangible material in the modeled volume. A time-splitting technique improves the computational efficiency of the simulation while maintaining accuracy on the deformation scale. The method can be applied to derive accurate upscaled model equations for larger volume scale simulations.

A hypothesis on the formation of the primary ossification centers in the membranous neurocranium: a mathematical and computational model.

PubMed

Garzón-Alvarado, Diego A

2013-01-21

This article develops a model of the appearance and location of the primary centers of ossification in the calvaria. The model uses a system of reaction-diffusion equations of two molecules (BMP and Noggin) whose behavior is of type activator-substrate and its solution produces Turing patterns, which represents the primary ossification centers. Additionally, the model includes the level of cell maturation as a function of the location of mesenchymal cells. Thus the mature cells can become osteoblasts due to the action of BMP2. Therefore, with this model, we can have two frontal primary centers, two parietal, and one, two or more occipital centers. The location of these centers in the simplified computational model is highly consistent with those centers found at an embryonic level. Copyright © 2012 Elsevier Ltd. All rights reserved.

The mathematical and computer modeling of the worm tool shaping

NASA Astrophysics Data System (ADS)

Panchuk, K. L.; Lyashkov, A. A.; Ayusheev, T. V.

2017-06-01

Traditionally mathematical profiling of the worm tool is carried out on the first T. Olivier method, known in the theory of gear gearings, with receiving an intermediate surface of the making lath. It complicates process of profiling and its realization by means of computer 3D-modeling. The purpose of the work is the improvement of mathematical model of profiling and its realization based on the methods of 3D-modeling. Research problems are: receiving of the mathematical model of profiling which excludes the presence of the making lath in it; realization of the received model by means of frame and superficial modeling; development and approbation of technology of solid-state modeling for the solution of the problem of profiling. As the basic, the kinematic method of research of the mutually envelope surfaces is accepted. Computer research is executed by means of CAD based on the methods of 3D-modeling. We have developed mathematical model of profiling of the worm tool; frame, superficial and solid-state models of shaping of the mutually enveloping surfaces of the detail and the tool are received. The offered mathematical models and the technologies of 3D-modeling of shaping represent tools for theoretical and experimental profiling of the worm tool. The results of researches can be used at design of metal-cutting tools.

The Impact of IBM Cell Technology on the Programming Paradigm in the Context of Computer Systems for Climate and Weather Models

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

Zhou, Shujia; Duffy, Daniel; Clune, Thomas

The call for ever-increasing model resolutions and physical processes in climate and weather models demands a continual increase in computing power. The IBM Cell processor's order-of-magnitude peak performance increase over conventional processors makes it very attractive to fulfill this requirement. However, the Cell's characteristics, 256KB local memory per SPE and the new low-level communication mechanism, make it very challenging to port an application. As a trial, we selected the solar radiation component of the NASA GEOS-5 climate model, which: (1) is representative of column physics components (half the total computational time), (2) has an extremely high computational intensity: the ratiomore » of computational load to main memory transfers, and (3) exhibits embarrassingly parallel column computations. In this paper, we converted the baseline code (single-precision Fortran) to C and ported it to an IBM BladeCenter QS20. For performance, we manually SIMDize four independent columns and include several unrolling optimizations. Our results show that when compared with the baseline implementation running on one core of Intel's Xeon Woodcrest, Dempsey, and Itanium2, the Cell is approximately 8.8x, 11.6x, and 12.8x faster, respectively. Our preliminary analysis shows that the Cell can also accelerate the dynamics component (~;;25percent total computational time). We believe these dramatic performance improvements make the Cell processor very competitive as an accelerator.« less

Quasi-coarse-grained dynamics: modelling of metallic materials at mesoscales

NASA Astrophysics Data System (ADS)

Dongare, Avinash M.

2014-12-01

A computationally efficient modelling method called quasi-coarse-grained dynamics (QCGD) is developed to expand the capabilities of molecular dynamics (MD) simulations to model behaviour of metallic materials at the mesoscales. This mesoscale method is based on solving the equations of motion for a chosen set of representative atoms from an atomistic microstructure and using scaling relationships for the atomic-scale interatomic potentials in MD simulations to define the interactions between representative atoms. The scaling relationships retain the atomic-scale degrees of freedom and therefore energetics of the representative atoms as would be predicted in MD simulations. The total energetics of the system is retained by scaling the energetics and the atomic-scale degrees of freedom of these representative atoms to account for the missing atoms in the microstructure. This scaling of the energetics renders improved time steps for the QCGD simulations. The success of the QCGD method is demonstrated by the prediction of the structural energetics, high-temperature thermodynamics, deformation behaviour of interfaces, phase transformation behaviour, plastic deformation behaviour, heat generation during plastic deformation, as well as the wave propagation behaviour, as would be predicted using MD simulations for a reduced number of representative atoms. The reduced number of atoms and the improved time steps enables the modelling of metallic materials at the mesoscale in extreme environments.

A Method to Represent Heterogeneous Materials for Rapid Prototyping: The Matryoshka Approach.

PubMed

Lei, Shuangyan; Frank, Matthew C; Anderson, Donald D; Brown, Thomas D

The purpose of this paper is to present a new method for representing heterogeneous materials using nested STL shells, based, in particular, on the density distributions of human bones. Nested STL shells, called Matryoshka models, are described, based on their namesake Russian nesting dolls. In this approach, polygonal models, such as STL shells, are "stacked" inside one another to represent different material regions. The Matryoshka model addresses the challenge of representing different densities and different types of bone when reverse engineering from medical images. The Matryoshka model is generated via an iterative process of thresholding the Hounsfield Unit (HU) data using computed tomography (CT), thereby delineating regions of progressively increasing bone density. These nested shells can represent regions starting with the medullary (bone marrow) canal, up through and including the outer surface of the bone. The Matryoshka approach introduced can be used to generate accurate models of heterogeneous materials in an automated fashion, avoiding the challenge of hand-creating an assembly model for input to multi-material additive or subtractive manufacturing. This paper presents a new method for describing heterogeneous materials: in this case, the density distribution in a human bone. The authors show how the Matryoshka model can be used to plan harvesting locations for creating custom rapid allograft bone implants from donor bone. An implementation of a proposed harvesting method is demonstrated, followed by a case study using subtractive rapid prototyping to harvest a bone implant from a human tibia surrogate.

Feasibility study of an Integrated Program for Aerospace vehicle Design (IPAD). Volume 2: The design process

NASA Technical Reports Server (NTRS)

Gillette, W. B.; Turner, M. J.; Southall, J. W.; Whitener, P. C.; Kowalik, J. S.

1973-01-01

The extent to which IPAD is to support the design process is identified. Case studies of representative aerospace products were developed as models to characterize the design process and to provide design requirements for the IPAD computing system.

Action Understanding as Inverse Planning

ERIC Educational Resources Information Center

Baker, Chris L.; Saxe, Rebecca; Tenenbaum, Joshua B.

2009-01-01

Humans are adept at inferring the mental states underlying other agents' actions, such as goals, beliefs, desires, emotions and other thoughts. We propose a computational framework based on Bayesian inverse planning for modeling human action understanding. The framework represents an intuitive theory of intentional agents' behavior based on the…

Electrolysis cell stimulation

NASA Technical Reports Server (NTRS)

Gordon, L. H.; Phillips, B. R.; Evangelista, J.

1978-01-01

Computer program represents attempt to understand and model characteristics of electrolysis cells. It allows user to determine how cell efficiency is affected by temperature, pressure, current density, electrolyte concentration, characteristic dimensions, membrane resistance, and electrolyte circulation rate. It also calculates ratio of bubble velocity to electrolyte velocity for anode and cathode chambers.

Fitting the Jigsaw of Citation: Information Visualization in Domain Analysis.

ERIC Educational Resources Information Center

Chen, Chaomei; Paul, Ray J.; O'Keefe, Bob

2001-01-01

Discusses the role of information visualization in modeling and representing intellectual structures associated with scientific disciplines and visualizes the domain of computer graphics based on bibliographic data from author cocitation patterns. Highlights include author cocitation maps, citation time lines, animation of a high-dimensional…

A parallel computing engine for a class of time critical processes.

PubMed

Nabhan, T M; Zomaya, A Y

1997-01-01

This paper focuses on the efficient parallel implementation of systems of numerically intensive nature over loosely coupled multiprocessor architectures. These analytical models are of significant importance to many real-time systems that have to meet severe time constants. A parallel computing engine (PCE) has been developed in this work for the efficient simplification and the near optimal scheduling of numerical models over the different cooperating processors of the parallel computer. First, the analytical system is efficiently coded in its general form. The model is then simplified by using any available information (e.g., constant parameters). A task graph representing the interconnections among the different components (or equations) is generated. The graph can then be compressed to control the computation/communication requirements. The task scheduler employs a graph-based iterative scheme, based on the simulated annealing algorithm, to map the vertices of the task graph onto a Multiple-Instruction-stream Multiple-Data-stream (MIMD) type of architecture. The algorithm uses a nonanalytical cost function that properly considers the computation capability of the processors, the network topology, the communication time, and congestion possibilities. Moreover, the proposed technique is simple, flexible, and computationally viable. The efficiency of the algorithm is demonstrated by two case studies with good results.

An evolutionary firefly algorithm for the estimation of nonlinear biological model parameters.

PubMed

Abdullah, Afnizanfaizal; Deris, Safaai; Anwar, Sohail; Arjunan, Satya N V

2013-01-01

The development of accurate computational models of biological processes is fundamental to computational systems biology. These models are usually represented by mathematical expressions that rely heavily on the system parameters. The measurement of these parameters is often difficult. Therefore, they are commonly estimated by fitting the predicted model to the experimental data using optimization methods. The complexity and nonlinearity of the biological processes pose a significant challenge, however, to the development of accurate and fast optimization methods. We introduce a new hybrid optimization method incorporating the Firefly Algorithm and the evolutionary operation of the Differential Evolution method. The proposed method improves solutions by neighbourhood search using evolutionary procedures. Testing our method on models for the arginine catabolism and the negative feedback loop of the p53 signalling pathway, we found that it estimated the parameters with high accuracy and within a reasonable computation time compared to well-known approaches, including Particle Swarm Optimization, Nelder-Mead, and Firefly Algorithm. We have also verified the reliability of the parameters estimated by the method using an a posteriori practical identifiability test.

An Evolutionary Firefly Algorithm for the Estimation of Nonlinear Biological Model Parameters

PubMed Central

Abdullah, Afnizanfaizal; Deris, Safaai; Anwar, Sohail; Arjunan, Satya N. V.

2013-01-01

The development of accurate computational models of biological processes is fundamental to computational systems biology. These models are usually represented by mathematical expressions that rely heavily on the system parameters. The measurement of these parameters is often difficult. Therefore, they are commonly estimated by fitting the predicted model to the experimental data using optimization methods. The complexity and nonlinearity of the biological processes pose a significant challenge, however, to the development of accurate and fast optimization methods. We introduce a new hybrid optimization method incorporating the Firefly Algorithm and the evolutionary operation of the Differential Evolution method. The proposed method improves solutions by neighbourhood search using evolutionary procedures. Testing our method on models for the arginine catabolism and the negative feedback loop of the p53 signalling pathway, we found that it estimated the parameters with high accuracy and within a reasonable computation time compared to well-known approaches, including Particle Swarm Optimization, Nelder-Mead, and Firefly Algorithm. We have also verified the reliability of the parameters estimated by the method using an a posteriori practical identifiability test. PMID:23469172

Application of multiphase modelling for vortex occurrence in vertical pump intake - a review

NASA Astrophysics Data System (ADS)

Samsudin, M. L.; Munisamy, K. M.; Thangaraju, S. K.

2015-09-01

Vortex formation within pump intake is one of common problems faced for power plant cooling water system. This phenomenon, categorised as surface and sub-surface vortices, can lead to several operational problems and increased maintenance costs. Physical model study was recommended from published guidelines but proved to be time and resource consuming. Hence, the use of Computational Fluid Dynamics (CFD) is an attractive alternative in managing the problem. At the early stage, flow analysis was conducted using single phase simulation and found to find good agreement with the observation from physical model study. With the development of computers, multiphase simulation found further enhancement in obtaining accurate results for representing air entrainment and sub-surface vortices which were earlier not well predicted from the single phase simulation. The purpose of this paper is to describe the application of multiphase modelling with CFD analysis for investigating vortex formation for a vertically inverted pump intake. In applying multiphase modelling, there ought to be a balance between the acceptable usage for computational time and resources and the degree of accuracy and realism in the results as expected from the analysis.

Computational modeling of psychiatric illnesses via well-defined neurophysiological and neurocognitive biomarkers.

PubMed

Siekmeier, Peter J

2015-10-01

A good deal of recent research has centered on the identification of biomarkers and endophenotypic measures of psychiatric illnesses using in vivo and in vitro studies. This is understandable, as these measures-as opposed to complex clinical phenotypes-may be more closely related to neurobiological and genetic vulnerabilities. However, instantiation of such biomarkers using computational models-in silico studies-has received less attention. This approach could become increasingly important, given the wealth of detailed information produced by recent basic neuroscience research, and increasing availability of high capacity computing platforms. The purpose of this review is to survey the current state of the art of research in this area. We discuss computational approaches to schizophrenia, bipolar disorder, Alzheimer's disease, fragile X syndrome and autism, and argue that it represents a promising and underappreciated research modality. In conclusion, we outline specific avenues for future research; also, potential uses of in silico models to conduct "virtual experiments" and to generate novel hypotheses, and as an aid in neuropsychiatric drug development are discussed. Copyright © 2015 Elsevier Ltd. All rights reserved.

Description and field analysis of a coupled ground-water/surface-water flow model (MODFLOW/BRANCH) with modifications for structures and wetlands in southern Dade County, Florida

USGS Publications Warehouse

Swain, E.D.; Howie, Barbara; Dixon, Joann

1996-01-01

A coupled surface-water model (BRANCH) and ground-water model (MODFLOW) model were tested to simulate the interacting wetlands/surface-water/ ground-water system of southern Dade County. Several options created for the MODFLOW ground- ground-water model were used in representing this field situation. The primary option is the MODBRANCH interfacing software, which allows leakage to be accounted for between the MODFLOW ground-water model and the BRANCH dynamic model for simulation of flow in an interconnected network of open channels. A modification to an existing software routine, which is referred to as BCF2, allows cells in MODFLOW to rewet when dry--a requirement in representing the seasonal wetlands in Dade County. A companion to BCF2 is the modified evapotranspiration routine EVT2. The EVT2 routine changes the cells where evapotranspiration occurs, depending on which cells are wet. The Streamlink package represents direct connections between the canals and wetlands at locations where canals open directly into overland flow. Within the BRANCH model, the capability to represent the numerous hydraulic structures, gated spillways, gated culverts, and pumps was added. The application of these modifications to model surface-water/ground-water interactions in southern Dade County demonstrated the usefulness of the coupled MODFLOW/BRANCH model. Ground-water and surface-water flows are both simulated with dynamic models. Flow exchange between models, intermittent wetting and drying, evapotranspiration, and hydraulic structure operations are all represented appropriately. Comparison was made with a simulation using the RIV1 package instead of MODBRANCH to represent the canals. RIV1 represents the canals by user-defined stages, and computes leakage to the aquifer. Greater accuracy in reproducing measured ground- water heads was achieved with MODBRANCH, which also computes dynamic flow conditions in the canals, unlike RIV1. The surface-water integrated flow and transport two-dimensional model (SWIFT2D) was also applied to the southeastern coastal wetlands for comparison with the wetlands flow approximation made in MODFLOW. MODFLOW simulates the wetlands as a highly conductive upper layer of the aquifer, whereas SWIFT2D solves the hydrodynamic equations. Comparison in this limited test demonstrated no specific advantage for either method of representation. However, much additional testing on a wider variety of geometric and hydraulic situations, such as in areas with greater tidal or other dynamic forcing effects, is needed to make definite conclusions. A submodel of the existing southern Dade County model schematization was used to examine water-delivery alternatives proposed by the U.S. Army Corps of Engineers. For this application, the coupled MODFLOW/BRANCH model was used as a design tool. A new canal and several pumps to be tested to maintain lower water levels in a residential area (while water levels in the Everglades are raised) were added to the model schematization. The pumps were assumed to have infinite supply capacity in the model so that their maximum pumping rates during the simulation could be used to determine pump sizes.

Investigation of lightweight designs and materials for LO2 and LH2 propellant tanks for space vehicles, phase 2 and phase 3

NASA Technical Reports Server (NTRS)

1976-01-01

Full size Tug LO2 and LH2 tank configurations were defined, based on selected tank geometries. These configurations were then locally modeled for computer stress analysis. A large subscale test tank, representing the selected Tug LO2 tank, was designed and analyzed. This tank was fabricated using procedures which represented production operations. An evaluation test program was outlined and a test procedure defined. The necessary test hardware was also fabricated.

Towards quantum chemistry on a quantum computer.

PubMed

Lanyon, B P; Whitfield, J D; Gillett, G G; Goggin, M E; Almeida, M P; Kassal, I; Biamonte, J D; Mohseni, M; Powell, B J; Barbieri, M; Aspuru-Guzik, A; White, A G

2010-02-01

Exact first-principles calculations of molecular properties are currently intractable because their computational cost grows exponentially with both the number of atoms and basis set size. A solution is to move to a radically different model of computing by building a quantum computer, which is a device that uses quantum systems themselves to store and process data. Here we report the application of the latest photonic quantum computer technology to calculate properties of the smallest molecular system: the hydrogen molecule in a minimal basis. We calculate the complete energy spectrum to 20 bits of precision and discuss how the technique can be expanded to solve large-scale chemical problems that lie beyond the reach of modern supercomputers. These results represent an early practical step toward a powerful tool with a broad range of quantum-chemical applications.

Radiant Energy Measurements from a Scaled Jet Engine Axisymmetric Exhaust Nozzle for a Baseline Code Validation Case

NASA Technical Reports Server (NTRS)

Baumeister, Joseph F.

1994-01-01

A non-flowing, electrically heated test rig was developed to verify computer codes that calculate radiant energy propagation from nozzle geometries that represent aircraft propulsion nozzle systems. Since there are a variety of analysis tools used to evaluate thermal radiation propagation from partially enclosed nozzle surfaces, an experimental benchmark test case was developed for code comparison. This paper briefly describes the nozzle test rig and the developed analytical nozzle geometry used to compare the experimental and predicted thermal radiation results. A major objective of this effort was to make available the experimental results and the analytical model in a format to facilitate conversion to existing computer code formats. For code validation purposes this nozzle geometry represents one validation case for one set of analysis conditions. Since each computer code has advantages and disadvantages based on scope, requirements, and desired accuracy, the usefulness of this single nozzle baseline validation case can be limited for some code comparisons.

Statistical Inference for Porous Materials using Persistent Homology.

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

Moon, Chul; Heath, Jason E.; Mitchell, Scott A.

2017-12-01

We propose a porous materials analysis pipeline using persistent homology. We rst compute persistent homology of binarized 3D images of sampled material subvolumes. For each image we compute sets of homology intervals, which are represented as summary graphics called persistence diagrams. We convert persistence diagrams into image vectors in order to analyze the similarity of the homology of the material images using the mature tools for image analysis. Each image is treated as a vector and we compute its principal components to extract features. We t a statistical model using the loadings of principal components to estimate material porosity, permeability,more » anisotropy, and tortuosity. We also propose an adaptive version of the structural similarity index (SSIM), a similarity metric for images, as a measure to determine the statistical representative elementary volumes (sREV) for persistence homology. Thus we provide a capability for making a statistical inference of the uid ow and transport properties of porous materials based on their geometry and connectivity.« less