The process group approach to reliable distributed computing

NASA Technical Reports Server (NTRS)

Birman, Kenneth P.

1991-01-01

The difficulty of developing reliable distributed software is an impediment to applying distributed computing technology in many settings. Experience with the ISIS system suggests that a structured approach based on virtually synchronous process groups yields systems which are substantially easier to develop, fault-tolerance, and self-managing. Six years of research on ISIS are reviewed, describing the model, the types of applications to which ISIS was applied, and some of the reasoning that underlies a recent effort to redesign and reimplement ISIS as a much smaller, lightweight system.

Integrating autonomous distributed control into a human-centric C4ISR environment

NASA Astrophysics Data System (ADS)

Straub, Jeremy

2017-05-01

This paper considers incorporating autonomy into human-centric Command, Control, Communications, Computers, Intelligence, Surveillance and Reconnaissance (C4ISR) environments. Specifically, it focuses on identifying ways that current autonomy technologies can augment human control and the challenges presented by additive autonomy. Three approaches to this challenge are considered, stemming from prior work in two converging areas. In the first, the problem is approached as augmenting what humans currently do with automation. In the alternate approach, the problem is approached as treating humans as actors within a cyber-physical system-of-systems (stemming from robotic distributed computing). A third approach, combines elements of both of the aforementioned.

Provenance-aware optimization of workload for distributed data production

NASA Astrophysics Data System (ADS)

Makatun, Dzmitry; Lauret, Jérôme; Rudová, Hana; Šumbera, Michal

2017-10-01

Distributed data processing in High Energy and Nuclear Physics (HENP) is a prominent example of big data analysis. Having petabytes of data being processed at tens of computational sites with thousands of CPUs, standard job scheduling approaches either do not address well the problem complexity or are dedicated to one specific aspect of the problem only (CPU, network or storage). Previously we have developed a new job scheduling approach dedicated to distributed data production - an essential part of data processing in HENP (preprocessing in big data terminology). In this contribution, we discuss the load balancing with multiple data sources and data replication, present recent improvements made to our planner and provide results of simulations which demonstrate the advantage against standard scheduling policies for the new use case. Multi-source or provenance is common in computing models of many applications whereas the data may be copied to several destinations. The initial input data set would hence be already partially replicated to multiple locations and the task of the scheduler is to maximize overall computational throughput considering possible data movements and CPU allocation. The studies have shown that our approach can provide a significant gain in overall computational performance in a wide scope of simulations considering realistic size of computational Grid and various input data distribution.

Analysis and Modeling of Realistic Compound Channels in Transparent Relay Transmissions

PubMed Central

Kanjirathumkal, Cibile K.; Mohammed, Sameer S.

2014-01-01

Analytical approaches for the characterisation of the compound channels in transparent multihop relay transmissions over independent fading channels are considered in this paper. Compound channels with homogeneous links are considered first. Using Mellin transform technique, exact expressions are derived for the moments of cascaded Weibull distributions. Subsequently, two performance metrics, namely, coefficient of variation and amount of fade, are derived using the computed moments. These metrics quantify the possible variations in the channel gain and signal to noise ratio from their respective average values and can be used to characterise the achievable receiver performance. This approach is suitable for analysing more realistic compound channel models for scattering density variations of the environment, experienced in multihop relay transmissions. The performance metrics for such heterogeneous compound channels having distinct distribution in each hop are computed and compared with those having identical constituent component distributions. The moments and the coefficient of variation computed are then used to develop computationally efficient estimators for the distribution parameters and the optimal hop count. The metrics and estimators proposed are complemented with numerical and simulation results to demonstrate the impact of the accuracy of the approaches. PMID:24701175

Probabilistic Damage Characterization Using the Computationally-Efficient Bayesian Approach

NASA Technical Reports Server (NTRS)

Warner, James E.; Hochhalter, Jacob D.

2016-01-01

This work presents a computationally-ecient approach for damage determination that quanti es uncertainty in the provided diagnosis. Given strain sensor data that are polluted with measurement errors, Bayesian inference is used to estimate the location, size, and orientation of damage. This approach uses Bayes' Theorem to combine any prior knowledge an analyst may have about the nature of the damage with information provided implicitly by the strain sensor data to form a posterior probability distribution over possible damage states. The unknown damage parameters are then estimated based on samples drawn numerically from this distribution using a Markov Chain Monte Carlo (MCMC) sampling algorithm. Several modi cations are made to the traditional Bayesian inference approach to provide signi cant computational speedup. First, an ecient surrogate model is constructed using sparse grid interpolation to replace a costly nite element model that must otherwise be evaluated for each sample drawn with MCMC. Next, the standard Bayesian posterior distribution is modi ed using a weighted likelihood formulation, which is shown to improve the convergence of the sampling process. Finally, a robust MCMC algorithm, Delayed Rejection Adaptive Metropolis (DRAM), is adopted to sample the probability distribution more eciently. Numerical examples demonstrate that the proposed framework e ectively provides damage estimates with uncertainty quanti cation and can yield orders of magnitude speedup over standard Bayesian approaches.

Thermal-stress analysis for a wood composite blade

NASA Technical Reports Server (NTRS)

Fu, K. C.; Harb, A.

1984-01-01

A thermal-stress analysis of a wind turbine blade made of wood composite material is reported. First, the governing partial differential equation on heat conduction is derived, then, a finite element procedure using variational approach is developed for the solution of the governing equation. Thus, the temperature distribution throughout the blade is determined. Next, based on the temperature distribution, a finite element procedure using potential energy approach is applied to determine the thermal-stress distribution. A set of results is obtained through the use of a computer, which is considered to be satisfactory. All computer programs are contained in the report.

Moment-Preserving Computational Approach for High Energy Charged Particle Transport

DTIC Science & Technology

2016-05-16

Kirtland AFB, NM 87117-5776 AFRL /RVBXR 11. SPONSOR/MONITOR’S REPORT NUMBER(S) AFRL -RV-PS-TR-2016-0102 12. DISTRIBUTION / AVAILABILITY...VA 22060-6218 1 cy AFRL /RVIL Kirtland AFB, NM 87117-5776 2 cys Official Record Copy AFRL /RVBXR/Adrian Wheelock 1 cy Approved for public release; distribution is unlimited. 78 ... AFRL -RV-PS- AFRL -RV-PS- TR-2016-0102 TR-2016-0102 MOMENT-PRESERVING COMPUTATIONAL APPROACH FOR HIGH ENERGY CHARGED PARTICLE TRANSPORT Anil

Accurate Bit Error Rate Calculation for Asynchronous Chaos-Based DS-CDMA over Multipath Channel

NASA Astrophysics Data System (ADS)

Kaddoum, Georges; Roviras, Daniel; Chargé, Pascal; Fournier-Prunaret, Daniele

2009-12-01

An accurate approach to compute the bit error rate expression for multiuser chaosbased DS-CDMA system is presented in this paper. For more realistic communication system a slow fading multipath channel is considered. A simple RAKE receiver structure is considered. Based on the bit energy distribution, this approach compared to others computation methods existing in literature gives accurate results with low computation charge. Perfect estimation of the channel coefficients with the associated delays and chaos synchronization is assumed. The bit error rate is derived in terms of the bit energy distribution, the number of paths, the noise variance, and the number of users. Results are illustrated by theoretical calculations and numerical simulations which point out the accuracy of our approach.

Confidence bounds for normal and lognormal distribution coefficients of variation

Treesearch

Steve Verrill

2003-01-01

This paper compares the so-called exact approach for obtaining confidence intervals on normal distribution coefficients of variation to approximate methods. Approximate approaches were found to perform less well than the exact approach for large coefficients of variation and small sample sizes. Web-based computer programs are described for calculating confidence...

Redirecting Under-Utilised Computer Laboratories into Cluster Computing Facilities

ERIC Educational Resources Information Center

Atkinson, John S.; Spenneman, Dirk H. R.; Cornforth, David

2005-01-01

Purpose: To provide administrators at an Australian university with data on the feasibility of redirecting under-utilised computer laboratories facilities into a distributed high performance computing facility. Design/methodology/approach: The individual log-in records for each computer located in the computer laboratories at the university were…

An Integrated Evaluation Method for E-Learning: A Case Study

ERIC Educational Resources Information Center

Rentroia-Bonito, M. A.; Figueiredo, F.; Martins, A.; Jorge, J. A.; Ghaoui, C.

2006-01-01

Technological improvements in broadband and distributed computing are making it possible to distribute live media content cost-effectively. Because of this, organizations are looking into cost-effective approaches to implement e-Learning initiatives. Indeed, computing resources are not enough by themselves to promote better e-Learning experiences.…

Independent-Trajectory Thermodynamic Integration: a practical guide to protein-drug binding free energy calculations using distributed computing.

PubMed

Lawrenz, Morgan; Baron, Riccardo; Wang, Yi; McCammon, J Andrew

2012-01-01

The Independent-Trajectory Thermodynamic Integration (IT-TI) approach for free energy calculation with distributed computing is described. IT-TI utilizes diverse conformational sampling obtained from multiple, independent simulations to obtain more reliable free energy estimates compared to single TI predictions. The latter may significantly under- or over-estimate the binding free energy due to finite sampling. We exemplify the advantages of the IT-TI approach using two distinct cases of protein-ligand binding. In both cases, IT-TI yields distributions of absolute binding free energy estimates that are remarkably centered on the target experimental values. Alternative protocols for the practical and general application of IT-TI calculations are investigated. We highlight a protocol that maximizes predictive power and computational efficiency.

BelleII@home: Integrate volunteer computing resources into DIRAC in a secure way

NASA Astrophysics Data System (ADS)

Wu, Wenjing; Hara, Takanori; Miyake, Hideki; Ueda, Ikuo; Kan, Wenxiao; Urquijo, Phillip

2017-10-01

The exploitation of volunteer computing resources has become a popular practice in the HEP computing community as the huge amount of potential computing power it provides. In the recent HEP experiments, the grid middleware has been used to organize the services and the resources, however it relies heavily on the X.509 authentication, which is contradictory to the untrusted feature of volunteer computing resources, therefore one big challenge to utilize the volunteer computing resources is how to integrate them into the grid middleware in a secure way. The DIRAC interware which is commonly used as the major component of the grid computing infrastructure for several HEP experiments proposes an even bigger challenge to this paradox as its pilot is more closely coupled with operations requiring the X.509 authentication compared to the implementations of pilot in its peer grid interware. The Belle II experiment is a B-factory experiment at KEK, and it uses DIRAC for its distributed computing. In the project of BelleII@home, in order to integrate the volunteer computing resources into the Belle II distributed computing platform in a secure way, we adopted a new approach which detaches the payload running from the Belle II DIRAC pilot which is a customized pilot pulling and processing jobs from the Belle II distributed computing platform, so that the payload can run on volunteer computers without requiring any X.509 authentication. In this approach we developed a gateway service running on a trusted server which handles all the operations requiring the X.509 authentication. So far, we have developed and deployed the prototype of BelleII@home, and tested its full workflow which proves the feasibility of this approach. This approach can also be applied on HPC systems whose work nodes do not have outbound connectivity to interact with the DIRAC system in general.

A Disciplined Architectural Approach to Scaling Data Analysis for Massive, Scientific Data

NASA Astrophysics Data System (ADS)

Crichton, D. J.; Braverman, A. J.; Cinquini, L.; Turmon, M.; Lee, H.; Law, E.

2014-12-01

Data collections across remote sensing and ground-based instruments in astronomy, Earth science, and planetary science are outpacing scientists' ability to analyze them. Furthermore, the distribution, structure, and heterogeneity of the measurements themselves pose challenges that limit the scalability of data analysis using traditional approaches. Methods for developing science data processing pipelines, distribution of scientific datasets, and performing analysis will require innovative approaches that integrate cyber-infrastructure, algorithms, and data into more systematic approaches that can more efficiently compute and reduce data, particularly distributed data. This requires the integration of computer science, machine learning, statistics and domain expertise to identify scalable architectures for data analysis. The size of data returned from Earth Science observing satellites and the magnitude of data from climate model output, is predicted to grow into the tens of petabytes challenging current data analysis paradigms. This same kind of growth is present in astronomy and planetary science data. One of the major challenges in data science and related disciplines defining new approaches to scaling systems and analysis in order to increase scientific productivity and yield. Specific needs include: 1) identification of optimized system architectures for analyzing massive, distributed data sets; 2) algorithms for systematic analysis of massive data sets in distributed environments; and 3) the development of software infrastructures that are capable of performing massive, distributed data analysis across a comprehensive data science framework. NASA/JPL has begun an initiative in data science to address these challenges. Our goal is to evaluate how scientific productivity can be improved through optimized architectural topologies that identify how to deploy and manage the access, distribution, computation, and reduction of massive, distributed data, while managing the uncertainties of scientific conclusions derived from such capabilities. This talk will provide an overview of JPL's efforts in developing a comprehensive architectural approach to data science.

Computing exact bundle compliance control charts via probability generating functions.

PubMed

Chen, Binchao; Matis, Timothy; Benneyan, James

2016-06-01

Compliance to evidenced-base practices, individually and in 'bundles', remains an important focus of healthcare quality improvement for many clinical conditions. The exact probability distribution of composite bundle compliance measures used to develop corresponding control charts and other statistical tests is based on a fairly large convolution whose direct calculation can be computationally prohibitive. Various series expansions and other approximation approaches have been proposed, each with computational and accuracy tradeoffs, especially in the tails. This same probability distribution also arises in other important healthcare applications, such as for risk-adjusted outcomes and bed demand prediction, with the same computational difficulties. As an alternative, we use probability generating functions to rapidly obtain exact results and illustrate the improved accuracy and detection over other methods. Numerical testing across a wide range of applications demonstrates the computational efficiency and accuracy of this approach.

Learning from Multiple Collaborating Intelligent Tutors: An Agent-based Approach.

ERIC Educational Resources Information Center

Solomos, Konstantinos; Avouris, Nikolaos

1999-01-01

Describes an open distributed multi-agent tutoring system (MATS) and discusses issues related to learning in such open environments. Topics include modeling a one student-many teachers approach in a computer-based learning context; distributed artificial intelligence; implementation issues; collaboration; and user interaction. (Author/LRW)

Directions in parallel programming: HPF, shared virtual memory and object parallelism in pC++

NASA Technical Reports Server (NTRS)

Bodin, Francois; Priol, Thierry; Mehrotra, Piyush; Gannon, Dennis

1994-01-01

Fortran and C++ are the dominant programming languages used in scientific computation. Consequently, extensions to these languages are the most popular for programming massively parallel computers. We discuss two such approaches to parallel Fortran and one approach to C++. The High Performance Fortran Forum has designed HPF with the intent of supporting data parallelism on Fortran 90 applications. HPF works by asking the user to help the compiler distribute and align the data structures with the distributed memory modules in the system. Fortran-S takes a different approach in which the data distribution is managed by the operating system and the user provides annotations to indicate parallel control regions. In the case of C++, we look at pC++ which is based on a concurrent aggregate parallel model.

Distributed acoustic sensing: how to make the best out of the Rayleigh-backscattered energy?

NASA Astrophysics Data System (ADS)

Eyal, A.; Gabai, H.; Shpatz, I.

2017-04-01

Coherent fading noise (also known as speckle noise) affects the SNR and sensitivity of Distributed Acoustic Sensing (DAS) systems and makes them random processes of position and time. As in speckle noise, the statistical distribution of DAS SNR is particularly wide and its standard deviation (STD) roughly equals its mean (σSNR/ ≍ 0.89). Trading resolution for SNR may improve the mean SNR but not necessarily narrow its distribution. Here a new approach to achieve both SNR improvement (by sacrificing resolution) and narrowing of the distribution is introduced. The method is based on acquiring high resolution complex backscatter profiles of the sensing fiber, using them to compute complex power profiles of the fiber which retain phase variation information and filtering of the power profiles. The approach is tested via a computer simulation and demonstrates distribution narrowing up to σSNR/ < 0.2.

WPS mediation: An approach to process geospatial data on different computing backends

NASA Astrophysics Data System (ADS)

Giuliani, Gregory; Nativi, Stefano; Lehmann, Anthony; Ray, Nicolas

2012-10-01

The OGC Web Processing Service (WPS) specification allows generating information by processing distributed geospatial data made available through Spatial Data Infrastructures (SDIs). However, current SDIs have limited analytical capacities and various problems emerge when trying to use them in data and computing-intensive domains such as environmental sciences. These problems are usually not or only partially solvable using single computing resources. Therefore, the Geographic Information (GI) community is trying to benefit from the superior storage and computing capabilities offered by distributed computing (e.g., Grids, Clouds) related methods and technologies. Currently, there is no commonly agreed approach to grid-enable WPS. No implementation allows one to seamlessly execute a geoprocessing calculation following user requirements on different computing backends, ranging from a stand-alone GIS server up to computer clusters and large Grid infrastructures. Considering this issue, this paper presents a proof of concept by mediating different geospatial and Grid software packages, and by proposing an extension of WPS specification through two optional parameters. The applicability of this approach will be demonstrated using a Normalized Difference Vegetation Index (NDVI) mediated WPS process, highlighting benefits, and issues that need to be further investigated to improve performances.

Distributed computing methodology for training neural networks in an image-guided diagnostic application.

PubMed

Plagianakos, V P; Magoulas, G D; Vrahatis, M N

2006-03-01

Distributed computing is a process through which a set of computers connected by a network is used collectively to solve a single problem. In this paper, we propose a distributed computing methodology for training neural networks for the detection of lesions in colonoscopy. Our approach is based on partitioning the training set across multiple processors using a parallel virtual machine. In this way, interconnected computers of varied architectures can be used for the distributed evaluation of the error function and gradient values, and, thus, training neural networks utilizing various learning methods. The proposed methodology has large granularity and low synchronization, and has been implemented and tested. Our results indicate that the parallel virtual machine implementation of the training algorithms developed leads to considerable speedup, especially when large network architectures and training sets are used.

Simple Kinematic Pathway Approach (KPA) to Catchment-scale Travel Time and Water Age Distributions

NASA Astrophysics Data System (ADS)

Soltani, S. S.; Cvetkovic, V.; Destouni, G.

2017-12-01

The distribution of catchment-scale water travel times is strongly influenced by morphological dispersion and is partitioned between hillslope and larger, regional scales. We explore whether hillslope travel times are predictable using a simple semi-analytical "kinematic pathway approach" (KPA) that accounts for dispersion on two levels of morphological and macro-dispersion. The study gives new insights to shallow (hillslope) and deep (regional) groundwater travel times by comparing numerical simulations of travel time distributions, referred to as "dynamic model", with corresponding KPA computations for three different real catchment case studies in Sweden. KPA uses basic structural and hydrological data to compute transient water travel time (forward mode) and age (backward mode) distributions at the catchment outlet. Longitudinal and morphological dispersion components are reflected in KPA computations by assuming an effective Peclet number and topographically driven pathway length distributions, respectively. Numerical simulations of advective travel times are obtained by means of particle tracking using the fully-integrated flow model MIKE SHE. The comparison of computed cumulative distribution functions of travel times shows significant influence of morphological dispersion and groundwater recharge rate on the compatibility of the "kinematic pathway" and "dynamic" models. Zones of high recharge rate in "dynamic" models are associated with topographically driven groundwater flow paths to adjacent discharge zones, e.g. rivers and lakes, through relatively shallow pathway compartments. These zones exhibit more compatible behavior between "dynamic" and "kinematic pathway" models than the zones of low recharge rate. Interestingly, the travel time distributions of hillslope compartments remain almost unchanged with increasing recharge rates in the "dynamic" models. This robust "dynamic" model behavior suggests that flow path lengths and travel times in shallow hillslope compartments are controlled by topography, and therefore application and further development of the simple "kinematic pathway" approach is promising for their modeling.

A Gaussian Approximation Approach for Value of Information Analysis.

PubMed

Jalal, Hawre; Alarid-Escudero, Fernando

2018-02-01

Most decisions are associated with uncertainty. Value of information (VOI) analysis quantifies the opportunity loss associated with choosing a suboptimal intervention based on current imperfect information. VOI can inform the value of collecting additional information, resource allocation, research prioritization, and future research designs. However, in practice, VOI remains underused due to many conceptual and computational challenges associated with its application. Expected value of sample information (EVSI) is rooted in Bayesian statistical decision theory and measures the value of information from a finite sample. The past few years have witnessed a dramatic growth in computationally efficient methods to calculate EVSI, including metamodeling. However, little research has been done to simplify the experimental data collection step inherent to all EVSI computations, especially for correlated model parameters. This article proposes a general Gaussian approximation (GA) of the traditional Bayesian updating approach based on the original work by Raiffa and Schlaifer to compute EVSI. The proposed approach uses a single probabilistic sensitivity analysis (PSA) data set and involves 2 steps: 1) a linear metamodel step to compute the EVSI on the preposterior distributions and 2) a GA step to compute the preposterior distribution of the parameters of interest. The proposed approach is efficient and can be applied for a wide range of data collection designs involving multiple non-Gaussian parameters and unbalanced study designs. Our approach is particularly useful when the parameters of an economic evaluation are correlated or interact.

ISIS and META projects

NASA Technical Reports Server (NTRS)

Birman, Kenneth; Cooper, Robert; Marzullo, Keith

1990-01-01

ISIS and META are two distributed systems projects at Cornell University. The ISIS project, has developed a new methodology, virtual synchrony, for writing robust distributed software. This approach is directly supported by the ISIS Toolkit, a programming system that is distributed to over 300 academic and industrial sites. Several interesting applications that exploit the strengths of ISIS, including an NFS-compatible replicated file system, are being developed. The META project, is about distributed control in a soft real time environment incorporating feedback. This domain encompasses examples as diverse as monitoring inventory and consumption on a factory floor and performing load-balancing on a distributed computing system. One of the first uses of META is for distributed application management: the tasks of configuring a distributed program, dynamically adapting to failures, and monitoring its performance. Recent progress and current plans are presented. This approach to distributed computing, a philosophy that is believed to significantly distinguish the work from that of others in the field, is explained.

Embracing the Cloud: Six Ways to Look at the Shift to Cloud Computing

ERIC Educational Resources Information Center

Ullman, David F.; Haggerty, Blake

2010-01-01

Cloud computing is the latest paradigm shift for the delivery of IT services. Where previous paradigms (centralized, decentralized, distributed) were based on fairly straightforward approaches to technology and its management, cloud computing is radical in comparison. The literature on cloud computing, however, suffers from many divergent…

Model Uncertainty and Robustness: A Computational Framework for Multimodel Analysis

ERIC Educational Resources Information Center

Young, Cristobal; Holsteen, Katherine

2017-01-01

Model uncertainty is pervasive in social science. A key question is how robust empirical results are to sensible changes in model specification. We present a new approach and applied statistical software for computational multimodel analysis. Our approach proceeds in two steps: First, we estimate the modeling distribution of estimates across all…

Computational system identification of continuous-time nonlinear systems using approximate Bayesian computation

NASA Astrophysics Data System (ADS)

Krishnanathan, Kirubhakaran; Anderson, Sean R.; Billings, Stephen A.; Kadirkamanathan, Visakan

2016-11-01

In this paper, we derive a system identification framework for continuous-time nonlinear systems, for the first time using a simulation-focused computational Bayesian approach. Simulation approaches to nonlinear system identification have been shown to outperform regression methods under certain conditions, such as non-persistently exciting inputs and fast-sampling. We use the approximate Bayesian computation (ABC) algorithm to perform simulation-based inference of model parameters. The framework has the following main advantages: (1) parameter distributions are intrinsically generated, giving the user a clear description of uncertainty, (2) the simulation approach avoids the difficult problem of estimating signal derivatives as is common with other continuous-time methods, and (3) as noted above, the simulation approach improves identification under conditions of non-persistently exciting inputs and fast-sampling. Term selection is performed by judging parameter significance using parameter distributions that are intrinsically generated as part of the ABC procedure. The results from a numerical example demonstrate that the method performs well in noisy scenarios, especially in comparison to competing techniques that rely on signal derivative estimation.

Mixed-Fidelity Approach for Design of Low-Boom Supersonic Aircraft

NASA Technical Reports Server (NTRS)

Li, Wu; Shields, Elwood; Geiselhart, Karl

2011-01-01

This paper documents a mixed-fidelity approach for the design of low-boom supersonic aircraft with a focus on fuselage shaping.A low-boom configuration that is based on low-fidelity analysis is used as the baseline. The fuselage shape is modified iteratively to obtain a configuration with an equivalent-area distribution derived from computational fluid dynamics analysis that attempts to match a predetermined low-boom target area distribution and also yields a low-boom ground signature. The ground signature of the final configuration is calculated by using a state-of-the-art computational-fluid-dynamics-based boom analysis method that generates accurate midfield pressure distributions for propagation to the ground with ray tracing. The ground signature that is propagated from a midfield pressure distribution has a shaped ramp front, which is similar to the ground signature that is propagated from the computational fluid dynamics equivalent-area distribution. This result supports the validity of low-boom supersonic configuration design by matching a low-boom equivalent-area target, which is easier to accomplish than matching a low-boom midfield pressure target.

Numerical Uncertainty Analysis for Computational Fluid Dynamics using Student T Distribution -- Application of CFD Uncertainty Analysis Compared to Exact Analytical Solution

NASA Technical Reports Server (NTRS)

Groves, Curtis E.; Ilie, marcel; Shallhorn, Paul A.

2014-01-01

Computational Fluid Dynamics (CFD) is the standard numerical tool used by Fluid Dynamists to estimate solutions to many problems in academia, government, and industry. CFD is known to have errors and uncertainties and there is no universally adopted method to estimate such quantities. This paper describes an approach to estimate CFD uncertainties strictly numerically using inputs and the Student-T distribution. The approach is compared to an exact analytical solution of fully developed, laminar flow between infinite, stationary plates. It is shown that treating all CFD input parameters as oscillatory uncertainty terms coupled with the Student-T distribution can encompass the exact solution.

Covariant extension of the GPD overlap representation at low Fock states

DOE PAGES

Chouika, N.; Mezrag, C.; Moutarde, H.; ...

2017-12-26

Here, we present a novel approach to compute generalized parton distributions within the lightfront wave function overlap framework. We show how to systematically extend generalized parton distributions computed within the DGLAP region to the ERBL one, fulfilling at the same time both the polynomiality and positivity conditions. We exemplify our method using pion lightfront wave functions inspired by recent results of non-perturbative continuum techniques and algebraic nucleon lightfront wave functions. We also test the robustness of our algorithm on reggeized phenomenological parameterizations. This approach paves the way to a better understanding of the nucleon structure from non-perturbative techniques and tomore » a unification of generalized parton distributions and transverse momentum dependent parton distribution functions phenomenology through lightfront wave functions.« less

An approach for heterogeneous and loosely coupled geospatial data distributed computing

NASA Astrophysics Data System (ADS)

Chen, Bin; Huang, Fengru; Fang, Yu; Huang, Zhou; Lin, Hui

2010-07-01

Most GIS (Geographic Information System) applications tend to have heterogeneous and autonomous geospatial information resources, and the availability of these local resources is unpredictable and dynamic under a distributed computing environment. In order to make use of these local resources together to solve larger geospatial information processing problems that are related to an overall situation, in this paper, with the support of peer-to-peer computing technologies, we propose a geospatial data distributed computing mechanism that involves loosely coupled geospatial resource directories and a term named as Equivalent Distributed Program of global geospatial queries to solve geospatial distributed computing problems under heterogeneous GIS environments. First, a geospatial query process schema for distributed computing as well as a method for equivalent transformation from a global geospatial query to distributed local queries at SQL (Structured Query Language) level to solve the coordinating problem among heterogeneous resources are presented. Second, peer-to-peer technologies are used to maintain a loosely coupled network environment that consists of autonomous geospatial information resources, thus to achieve decentralized and consistent synchronization among global geospatial resource directories, and to carry out distributed transaction management of local queries. Finally, based on the developed prototype system, example applications of simple and complex geospatial data distributed queries are presented to illustrate the procedure of global geospatial information processing.

A parallel-processing approach to computing for the geographic sciences; applications and systems enhancements

USGS Publications Warehouse

Crane, Michael; Steinwand, Dan; Beckmann, Tim; Krpan, Greg; Liu, Shu-Guang; Nichols, Erin; Haga, Jim; Maddox, Brian; Bilderback, Chris; Feller, Mark; Homer, George

2001-01-01

The overarching goal of this project is to build a spatially distributed infrastructure for information science research by forming a team of information science researchers and providing them with similar hardware and software tools to perform collaborative research. Four geographically distributed Centers of the U.S. Geological Survey (USGS) are developing their own clusters of low-cost, personal computers into parallel computing environments that provide a costeffective way for the USGS to increase participation in the high-performance computing community. Referred to as Beowulf clusters, these hybrid systems provide the robust computing power required for conducting information science research into parallel computing systems and applications.

Improving the analysis, storage and sharing of neuroimaging data using relational databases and distributed computing.

PubMed

Hasson, Uri; Skipper, Jeremy I; Wilde, Michael J; Nusbaum, Howard C; Small, Steven L

2008-01-15

The increasingly complex research questions addressed by neuroimaging research impose substantial demands on computational infrastructures. These infrastructures need to support management of massive amounts of data in a way that affords rapid and precise data analysis, to allow collaborative research, and to achieve these aims securely and with minimum management overhead. Here we present an approach that overcomes many current limitations in data analysis and data sharing. This approach is based on open source database management systems that support complex data queries as an integral part of data analysis, flexible data sharing, and parallel and distributed data processing using cluster computing and Grid computing resources. We assess the strengths of these approaches as compared to current frameworks based on storage of binary or text files. We then describe in detail the implementation of such a system and provide a concrete description of how it was used to enable a complex analysis of fMRI time series data.

Improving the Analysis, Storage and Sharing of Neuroimaging Data using Relational Databases and Distributed Computing

PubMed Central

Hasson, Uri; Skipper, Jeremy I.; Wilde, Michael J.; Nusbaum, Howard C.; Small, Steven L.

2007-01-01

The increasingly complex research questions addressed by neuroimaging research impose substantial demands on computational infrastructures. These infrastructures need to support management of massive amounts of data in a way that affords rapid and precise data analysis, to allow collaborative research, and to achieve these aims securely and with minimum management overhead. Here we present an approach that overcomes many current limitations in data analysis and data sharing. This approach is based on open source database management systems that support complex data queries as an integral part of data analysis, flexible data sharing, and parallel and distributed data processing using cluster computing and Grid computing resources. We assess the strengths of these approaches as compared to current frameworks based on storage of binary or text files. We then describe in detail the implementation of such a system and provide a concrete description of how it was used to enable a complex analysis of fMRI time series data. PMID:17964812

Influence of savanna fire on Australian monsoon season precipitation and circulation as simulated using a distributed computing environment

NASA Astrophysics Data System (ADS)

Lynch, Amanda H.; Abramson, David; Görgen, Klaus; Beringer, Jason; Uotila, Petteri

2007-10-01

Fires in the Australian savanna have been hypothesized to affect monsoon evolution, but the hypothesis is controversial and the effects have not been quantified. A distributed computing approach allows the development of a challenging experimental design that permits simultaneous variation of all fire attributes. The climate model simulations are distributed around multiple independent computer clusters in six countries, an approach that has potential for a range of other large simulation applications in the earth sciences. The experiment clarifies that savanna burning can shape the monsoon through two mechanisms. Boundary-layer circulation and large-scale convergence is intensified monotonically through increasing fire intensity and area burned. However, thresholds of fire timing and area are evident in the consequent influence on monsoon rainfall. In the optimal band of late, high intensity fires with a somewhat limited extent, it is possible for the wet season to be significantly enhanced.

Chandrasekhar equations and computational algorithms for distributed parameter systems

NASA Technical Reports Server (NTRS)

Burns, J. A.; Ito, K.; Powers, R. K.

1984-01-01

The Chandrasekhar equations arising in optimal control problems for linear distributed parameter systems are considered. The equations are derived via approximation theory. This approach is used to obtain existence, uniqueness, and strong differentiability of the solutions and provides the basis for a convergent computation scheme for approximating feedback gain operators. A numerical example is presented to illustrate these ideas.

A Distributed Fuzzy Associative Classifier for Big Data.

PubMed

Segatori, Armando; Bechini, Alessio; Ducange, Pietro; Marcelloni, Francesco

2017-09-19

Fuzzy associative classification has not been widely analyzed in the literature, although associative classifiers (ACs) have proved to be very effective in different real domain applications. The main reason is that learning fuzzy ACs is a very heavy task, especially when dealing with large datasets. To overcome this drawback, in this paper, we propose an efficient distributed fuzzy associative classification approach based on the MapReduce paradigm. The approach exploits a novel distributed discretizer based on fuzzy entropy for efficiently generating fuzzy partitions of the attributes. Then, a set of candidate fuzzy association rules is generated by employing a distributed fuzzy extension of the well-known FP-Growth algorithm. Finally, this set is pruned by using three purposely adapted types of pruning. We implemented our approach on the popular Hadoop framework. Hadoop allows distributing storage and processing of very large data sets on computer clusters built from commodity hardware. We have performed an extensive experimentation and a detailed analysis of the results using six very large datasets with up to 11,000,000 instances. We have also experimented different types of reasoning methods. Focusing on accuracy, model complexity, computation time, and scalability, we compare the results achieved by our approach with those obtained by two distributed nonfuzzy ACs recently proposed in the literature. We highlight that, although the accuracies result to be comparable, the complexity, evaluated in terms of number of rules, of the classifiers generated by the fuzzy distributed approach is lower than the one of the nonfuzzy classifiers.

Linearized radiative transfer models for retrieval of cloud parameters from EPIC/DSCOVR measurements

NASA Astrophysics Data System (ADS)

Molina García, Víctor; Sasi, Sruthy; Efremenko, Dmitry S.; Doicu, Adrian; Loyola, Diego

2018-07-01

In this paper, we describe several linearized radiative transfer models which can be used for the retrieval of cloud parameters from EPIC (Earth Polychromatic Imaging Camera) measurements. The approaches under examination are (1) the linearized forward approach, represented in this paper by the linearized discrete ordinate and matrix operator methods with matrix exponential, and (2) the forward-adjoint approach based on the discrete ordinate method with matrix exponential. To enhance the performance of the radiative transfer computations, the correlated k-distribution method and the Principal Component Analysis (PCA) technique are used. We provide a compact description of the proposed methods, as well as a numerical analysis of their accuracy and efficiency when simulating EPIC measurements in the oxygen A-band channel at 764 nm. We found that the computation time of the forward-adjoint approach using the correlated k-distribution method in conjunction with PCA is approximately 13 s for simultaneously computing the derivatives with respect to cloud optical thickness and cloud top height.

Application of the TEMPEST computer code for simulating hydrogen distribution in model containment structures. [PWR; BWR

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

Trent, D.S.; Eyler, L.L.

In this study several aspects of simulating hydrogen distribution in geometric configurations relevant to reactor containment structures were investigated using the TEMPEST computer code. Of particular interest was the performance of the TEMPEST turbulence model in a density-stratified environment. Computed results illustrated that the TEMPEST numerical procedures predicted the measured phenomena with good accuracy under a variety of conditions and that the turbulence model used is a viable approach in complex turbulent flow simulation.

Modeling and comparative study of fluid velocities in heterogeneous rocks

NASA Astrophysics Data System (ADS)

Hingerl, Ferdinand F.; Romanenko, Konstantin; Pini, Ronny; Balcom, Bruce; Benson, Sally

2013-04-01

Detailed knowledge of the distribution of effective porosity and fluid velocities in heterogeneous rock samples is crucial for understanding and predicting spatially resolved fluid residence times and kinetic reaction rates of fluid-rock interactions. The applicability of conventional MRI techniques to sedimentary rocks is limited by internal magnetic field gradients and short spin relaxation times. The approach developed at the UNB MRI Centre combines the 13-interval Alternating-Pulsed-Gradient Stimulated-Echo (APGSTE) scheme and three-dimensional Single Point Ramped Imaging with T1 Enhancement (SPRITE). These methods were designed to reduce the errors due to effects of background gradients and fast transverse relaxation. SPRITE is largely immune to time-evolution effects resulting from background gradients, paramagnetic impurities and chemical shift. Using these techniques quantitative 3D porosity maps as well as single-phase fluid velocity fields in sandstone core samples were measured. Using a new Magnetic Resonance Imaging technique developed at the MRI Centre at UNB, we created 3D maps of porosity distributions as well as single-phase fluid velocity distributions of sandstone rock samples. Then, we evaluated the applicability of the Kozeny-Carman relationship for modeling measured fluid velocity distributions in sandstones samples showing meso-scale heterogeneities using two different modeling approaches. The MRI maps were used as reference points for the modeling approaches. For the first modeling approach, we applied the Kozeny-Carman relationship to the porosity distributions and computed respective permeability maps, which in turn provided input for a CFD simulation - using the Stanford CFD code GPRS - to compute averaged velocity maps. The latter were then compared to the measured velocity maps. For the second approach, the measured velocity distributions were used as input for inversely computing permeabilities using the GPRS CFD code. The computed permeabilities were then correlated with the ones based on the porosity maps and the Kozeny-Carman relationship. The findings of the comparative modeling study are discussed and its potential impact on the modeling of fluid residence times and kinetic reaction rates of fluid-rock interactions in rocks containing meso-scale heterogeneities are reviewed.

A Markov Chain-based quantitative study of angular distribution of photons through turbid slabs via isotropic light scattering

NASA Astrophysics Data System (ADS)

Li, Xuesong; Northrop, William F.

2016-04-01

This paper describes a quantitative approach to approximate multiple scattering through an isotropic turbid slab based on Markov Chain theorem. There is an increasing need to utilize multiple scattering for optical diagnostic purposes; however, existing methods are either inaccurate or computationally expensive. Here, we develop a novel Markov Chain approximation approach to solve multiple scattering angular distribution (AD) that can accurately calculate AD while significantly reducing computational cost compared to Monte Carlo simulation. We expect this work to stimulate ongoing multiple scattering research and deterministic reconstruction algorithm development with AD measurements.

IUWare and Computing Tools: Indiana University's Approach to Low-Cost Software.

ERIC Educational Resources Information Center

Sheehan, Mark C.; Williams, James G.

1987-01-01

Describes strategies for providing low-cost microcomputer-based software for classroom use on college campuses. Highlights include descriptions of the software (IUWare and Computing Tools); computing center support; license policies; documentation; promotion; distribution; staff, faculty, and user training; problems; and future plans. (LRW)

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

Rajbhandari, Samyam; NIkam, Akshay; Lai, Pai-Wei

Tensor contractions represent the most compute-intensive core kernels in ab initio computational quantum chemistry and nuclear physics. Symmetries in these tensor contractions makes them difficult to load balance and scale to large distributed systems. In this paper, we develop an efficient and scalable algorithm to contract symmetric tensors. We introduce a novel approach that avoids data redistribution in contracting symmetric tensors while also avoiding redundant storage and maintaining load balance. We present experimental results on two parallel supercomputers for several symmetric contractions that appear in the CCSD quantum chemistry method. We also present a novel approach to tensor redistribution thatmore » can take advantage of parallel hyperplanes when the initial distribution has replicated dimensions, and use collective broadcast when the final distribution has replicated dimensions, making the algorithm very efficient.« less

Evaluation of a grid based molecular dynamics approach for polypeptide simulations.

PubMed

Merelli, Ivan; Morra, Giulia; Milanesi, Luciano

2007-09-01

Molecular dynamics is very important for biomedical research because it makes possible simulation of the behavior of a biological macromolecule in silico. However, molecular dynamics is computationally rather expensive: the simulation of some nanoseconds of dynamics for a large macromolecule such as a protein takes very long time, due to the high number of operations that are needed for solving the Newton's equations in the case of a system of thousands of atoms. In order to obtain biologically significant data, it is desirable to use high-performance computation resources to perform these simulations. Recently, a distributed computing approach based on replacing a single long simulation with many independent short trajectories has been introduced, which in many cases provides valuable results. This study concerns the development of an infrastructure to run molecular dynamics simulations on a grid platform in a distributed way. The implemented software allows the parallel submission of different simulations that are singularly short but together bring important biological information. Moreover, each simulation is divided into a chain of jobs to avoid data loss in case of system failure and to contain the dimension of each data transfer from the grid. The results confirm that the distributed approach on grid computing is particularly suitable for molecular dynamics simulations thanks to the elevated scalability.

Simulation of Mean Flow and Turbulence over a 2D Building Array Using High-Resolution CFD and a Distributed Drag Force Approach

DTIC Science & Technology

2016-06-16

procedure. The predictive capabilities of the high-resolution computational fluid dynamics ( CFD ) simulations of urban flow are validated against a very...turbulence over a 2D building array using high-resolution CFD and a distributed drag force approach a Department of Mechanical Engineering, University

An Empirical Consideration of the Use of R in Actively Constructing Sampling Distributions

ERIC Educational Resources Information Center

Vaughn, Brandon K.

2009-01-01

In this paper, an interactive teaching approach to introduce the concept of sampling distributions using the statistical software program, R, is shown. One advantage of this approach is that the program R is freely available via the internet. Instructors can easily demonstrate concepts in class, outfit entire computer labs, and/or assign the…

A direct method for computing extreme value (Gumbel) parameters for gapped biological sequence alignments.

PubMed

Quinn, Terrance; Sinkala, Zachariah

2014-01-01

We develop a general method for computing extreme value distribution (Gumbel, 1958) parameters for gapped alignments. Our approach uses mixture distribution theory to obtain associated BLOSUM matrices for gapped alignments, which in turn are used for determining significance of gapped alignment scores for pairs of biological sequences. We compare our results with parameters already obtained in the literature.

Unsteady Aerodynamic Force Sensing from Measured Strain

NASA Technical Reports Server (NTRS)

Pak, Chan-Gi

2016-01-01

A simple approach for computing unsteady aerodynamic forces from simulated measured strain data is proposed in this study. First, the deflection and slope of the structure are computed from the unsteady strain using the two-step approach. Velocities and accelerations of the structure are computed using the autoregressive moving average model, on-line parameter estimator, low-pass filter, and a least-squares curve fitting method together with analytical derivatives with respect to time. Finally, aerodynamic forces over the wing are computed using modal aerodynamic influence coefficient matrices, a rational function approximation, and a time-marching algorithm. A cantilevered rectangular wing built and tested at the NASA Langley Research Center (Hampton, Virginia, USA) in 1959 is used to validate the simple approach. Unsteady aerodynamic forces as well as wing deflections, velocities, accelerations, and strains are computed using the CFL3D computational fluid dynamics (CFD) code and an MSC/NASTRAN code (MSC Software Corporation, Newport Beach, California, USA), and these CFL3D-based results are assumed as measured quantities. Based on the measured strains, wing deflections, velocities, accelerations, and aerodynamic forces are computed using the proposed approach. These computed deflections, velocities, accelerations, and unsteady aerodynamic forces are compared with the CFL3D/NASTRAN-based results. In general, computed aerodynamic forces based on the lifting surface theory in subsonic speeds are in good agreement with the target aerodynamic forces generated using CFL3D code with the Euler equation. Excellent aeroelastic responses are obtained even with unsteady strain data under the signal to noise ratio of -9.8dB. The deflections, velocities, and accelerations at each sensor location are independent of structural and aerodynamic models. Therefore, the distributed strain data together with the current proposed approaches can be used as distributed deflection, velocity, and acceleration sensors. This research demonstrates the feasibility of obtaining induced drag and lift forces through the use of distributed sensor technology with measured strain data. An active induced drag control system thus can be designed using the two computed aerodynamic forces, induced drag and lift, to improve the fuel efficiency of an aircraft. Interpolation elements between structural finite element grids and the CFD grids and centroids are successfully incorporated with the unsteady aeroelastic computation scheme. The most critical technology for the success of the proposed approach is the robust on-line parameter estimator, since the least-squares curve fitting method depends heavily on aeroelastic system frequencies and damping factors.

Compiling probabilistic, bio-inspired circuits on a field programmable analog array

PubMed Central

Marr, Bo; Hasler, Jennifer

2014-01-01

A field programmable analog array (FPAA) is presented as an energy and computational efficiency engine: a mixed mode processor for which functions can be compiled at significantly less energy costs using probabilistic computing circuits. More specifically, it will be shown that the core computation of any dynamical system can be computed on the FPAA at significantly less energy per operation than a digital implementation. A stochastic system that is dynamically controllable via voltage controlled amplifier and comparator thresholds is implemented, which computes Bernoulli random variables. From Bernoulli variables it is shown exponentially distributed random variables, and random variables of an arbitrary distribution can be computed. The Gillespie algorithm is simulated to show the utility of this system by calculating the trajectory of a biological system computed stochastically with this probabilistic hardware where over a 127X performance improvement over current software approaches is shown. The relevance of this approach is extended to any dynamical system. The initial circuits and ideas for this work were generated at the 2008 Telluride Neuromorphic Workshop. PMID:24847199

Probabilistic co-adaptive brain-computer interfacing

NASA Astrophysics Data System (ADS)

Bryan, Matthew J.; Martin, Stefan A.; Cheung, Willy; Rao, Rajesh P. N.

2013-12-01

Objective. Brain-computer interfaces (BCIs) are confronted with two fundamental challenges: (a) the uncertainty associated with decoding noisy brain signals, and (b) the need for co-adaptation between the brain and the interface so as to cooperatively achieve a common goal in a task. We seek to mitigate these challenges. Approach. We introduce a new approach to brain-computer interfacing based on partially observable Markov decision processes (POMDPs). POMDPs provide a principled approach to handling uncertainty and achieving co-adaptation in the following manner: (1) Bayesian inference is used to compute posterior probability distributions (‘beliefs’) over brain and environment state, and (2) actions are selected based on entire belief distributions in order to maximize total expected reward; by employing methods from reinforcement learning, the POMDP’s reward function can be updated over time to allow for co-adaptive behaviour. Main results. We illustrate our approach using a simple non-invasive BCI which optimizes the speed-accuracy trade-off for individual subjects based on the signal-to-noise characteristics of their brain signals. We additionally demonstrate that the POMDP BCI can automatically detect changes in the user’s control strategy and can co-adaptively switch control strategies on-the-fly to maximize expected reward. Significance. Our results suggest that the framework of POMDPs offers a promising approach for designing BCIs that can handle uncertainty in neural signals and co-adapt with the user on an ongoing basis. The fact that the POMDP BCI maintains a probability distribution over the user’s brain state allows a much more powerful form of decision making than traditional BCI approaches, which have typically been based on the output of classifiers or regression techniques. Furthermore, the co-adaptation of the system allows the BCI to make online improvements to its behaviour, adjusting itself automatically to the user’s changing circumstances.

New approach in the quantum statistical parton distribution

NASA Astrophysics Data System (ADS)

Sohaily, Sozha; Vaziri (Khamedi), Mohammad

2017-12-01

An attempt to find simple parton distribution functions (PDFs) based on quantum statistical approach is presented. The PDFs described by the statistical model have very interesting physical properties which help to understand the structure of partons. The longitudinal portion of distribution functions are given by applying the maximum entropy principle. An interesting and simple approach to determine the statistical variables exactly without fitting and fixing parameters is surveyed. Analytic expressions of the x-dependent PDFs are obtained in the whole x region [0, 1], and the computed distributions are consistent with the experimental observations. The agreement with experimental data, gives a robust confirm of our simple presented statistical model.

Sputnik: ad hoc distributed computation.

PubMed

Völkel, Gunnar; Lausser, Ludwig; Schmid, Florian; Kraus, Johann M; Kestler, Hans A

2015-04-15

In bioinformatic applications, computationally demanding algorithms are often parallelized to speed up computation. Nevertheless, setting up computational environments for distributed computation is often tedious. Aim of this project were the lightweight ad hoc set up and fault-tolerant computation requiring only a Java runtime, no administrator rights, while utilizing all CPU cores most effectively. The Sputnik framework provides ad hoc distributed computation on the Java Virtual Machine which uses all supplied CPU cores fully. It provides a graphical user interface for deployment setup and a web user interface displaying the current status of current computation jobs. Neither a permanent setup nor administrator privileges are required. We demonstrate the utility of our approach on feature selection of microarray data. The Sputnik framework is available on Github http://github.com/sysbio-bioinf/sputnik under the Eclipse Public License. hkestler@fli-leibniz.de or hans.kestler@uni-ulm.de Supplementary data are available at Bioinformatics online. © The Author 2014. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

Approximate Bayesian computation for spatial SEIR(S) epidemic models.

PubMed

Brown, Grant D; Porter, Aaron T; Oleson, Jacob J; Hinman, Jessica A

2018-02-01

Approximate Bayesia n Computation (ABC) provides an attractive approach to estimation in complex Bayesian inferential problems for which evaluation of the kernel of the posterior distribution is impossible or computationally expensive. These highly parallelizable techniques have been successfully applied to many fields, particularly in cases where more traditional approaches such as Markov chain Monte Carlo (MCMC) are impractical. In this work, we demonstrate the application of approximate Bayesian inference to spatially heterogeneous Susceptible-Exposed-Infectious-Removed (SEIR) stochastic epidemic models. These models have a tractable posterior distribution, however MCMC techniques nevertheless become computationally infeasible for moderately sized problems. We discuss the practical implementation of these techniques via the open source ABSEIR package for R. The performance of ABC relative to traditional MCMC methods in a small problem is explored under simulation, as well as in the spatially heterogeneous context of the 2014 epidemic of Chikungunya in the Americas. Copyright © 2017 Elsevier Ltd. All rights reserved.

Distributed Damage Estimation for Prognostics based on Structural Model Decomposition

NASA Technical Reports Server (NTRS)

Daigle, Matthew; Bregon, Anibal; Roychoudhury, Indranil

2011-01-01

Model-based prognostics approaches capture system knowledge in the form of physics-based models of components, and how they fail. These methods consist of a damage estimation phase, in which the health state of a component is estimated, and a prediction phase, in which the health state is projected forward in time to determine end of life. However, the damage estimation problem is often multi-dimensional and computationally intensive. We propose a model decomposition approach adapted from the diagnosis community, called possible conflicts, in order to both improve the computational efficiency of damage estimation, and formulate a damage estimation approach that is inherently distributed. Local state estimates are combined into a global state estimate from which prediction is performed. Using a centrifugal pump as a case study, we perform a number of simulation-based experiments to demonstrate the approach.

A Heuristic Probabilistic Approach to Estimating Size-Dependent Mobility of Nonuniform Sediment

NASA Astrophysics Data System (ADS)

Woldegiorgis, B. T.; Wu, F. C.; van Griensven, A.; Bauwens, W.

2017-12-01

Simulating the mechanism of bed sediment mobility is essential for modelling sediment dynamics. Despite the fact that many studies are carried out on this subject, they use complex mathematical formulations that are computationally expensive, and are often not easy for implementation. In order to present a simple and computationally efficient complement to detailed sediment mobility models, we developed a heuristic probabilistic approach to estimating the size-dependent mobilities of nonuniform sediment based on the pre- and post-entrainment particle size distributions (PSDs), assuming that the PSDs are lognormally distributed. The approach fits a lognormal probability density function (PDF) to the pre-entrainment PSD of bed sediment and uses the threshold particle size of incipient motion and the concept of sediment mixture to estimate the PSDs of the entrained sediment and post-entrainment bed sediment. The new approach is simple in physical sense and significantly reduces the complexity and computation time and resource required by detailed sediment mobility models. It is calibrated and validated with laboratory and field data by comparing to the size-dependent mobilities predicted with the existing empirical lognormal cumulative distribution function (CDF) approach. The novel features of the current approach are: (1) separating the entrained and non-entrained sediments by a threshold particle size, which is a modified critical particle size of incipient motion by accounting for the mixed-size effects, and (2) using the mixture-based pre- and post-entrainment PSDs to provide a continuous estimate of the size-dependent sediment mobility.

Computational and Experimental Studies of Microstructure-Scale Porosity in Metallic Fuels for Improved Gas Swelling Behavior

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

Mllett, Paul; McDeavitt, Sean; Deo, Chaitanya

This proposal will investigate the stability of bimodal pore size distributions in metallic uranium and uranium-zirconium alloys during sintering and re-sintering annealing treatments. The project will utilize both computational and experimental approaches. The computational approach includes both Molecular Dynamics simulations to determine the self-diffusion coefficients in pure U and U-Zr alloys in single crystals, grain boundaries, and free surfaces, as well as calculations of grain boundary and free surface interfacial energies. Phase-field simulations using MOOSE will be conducted to study pore and grain structure evolution in microstructures with bimodal pore size distributions. Experiments will also be performed to validate themore » simulations, and measure the time-dependent densification of bimodal porous compacts.« less

A novel strategy for load balancing of distributed medical applications.

PubMed

Logeswaran, Rajasvaran; Chen, Li-Choo

2012-04-01

Current trends in medicine, specifically in the electronic handling of medical applications, ranging from digital imaging, paperless hospital administration and electronic medical records, telemedicine, to computer-aided diagnosis, creates a burden on the network. Distributed Service Architectures, such as Intelligent Network (IN), Telecommunication Information Networking Architecture (TINA) and Open Service Access (OSA), are able to meet this new challenge. Distribution enables computational tasks to be spread among multiple processors; hence, performance is an important issue. This paper proposes a novel approach in load balancing, the Random Sender Initiated Algorithm, for distribution of tasks among several nodes sharing the same computational object (CO) instances in Distributed Service Architectures. Simulations illustrate that the proposed algorithm produces better network performance than the benchmark load balancing algorithms-the Random Node Selection Algorithm and the Shortest Queue Algorithm, especially under medium and heavily loaded conditions.

Distributed computing feasibility in a non-dedicated homogeneous distributed system

NASA Technical Reports Server (NTRS)

Leutenegger, Scott T.; Sun, Xian-He

1993-01-01

The low cost and availability of clusters of workstations have lead researchers to re-explore distributed computing using independent workstations. This approach may provide better cost/performance than tightly coupled multiprocessors. In practice, this approach often utilizes wasted cycles to run parallel jobs. The feasibility of such a non-dedicated parallel processing environment assuming workstation processes have preemptive priority over parallel tasks is addressed. An analytical model is developed to predict parallel job response times. Our model provides insight into how significantly workstation owner interference degrades parallel program performance. A new term task ratio, which relates the parallel task demand to the mean service demand of nonparallel workstation processes, is introduced. It was proposed that task ratio is a useful metric for determining how large the demand of a parallel applications must be in order to make efficient use of a non-dedicated distributed system.

Distributed parallel computing in stochastic modeling of groundwater systems.

PubMed

Dong, Yanhui; Li, Guomin; Xu, Haizhen

2013-03-01

Stochastic modeling is a rapidly evolving, popular approach to the study of the uncertainty and heterogeneity of groundwater systems. However, the use of Monte Carlo-type simulations to solve practical groundwater problems often encounters computational bottlenecks that hinder the acquisition of meaningful results. To improve the computational efficiency, a system that combines stochastic model generation with MODFLOW-related programs and distributed parallel processing is investigated. The distributed computing framework, called the Java Parallel Processing Framework, is integrated into the system to allow the batch processing of stochastic models in distributed and parallel systems. As an example, the system is applied to the stochastic delineation of well capture zones in the Pinggu Basin in Beijing. Through the use of 50 processing threads on a cluster with 10 multicore nodes, the execution times of 500 realizations are reduced to 3% compared with those of a serial execution. Through this application, the system demonstrates its potential in solving difficult computational problems in practical stochastic modeling. © 2012, The Author(s). Groundwater © 2012, National Ground Water Association.

streamgap-pepper: Effects of peppering streams with many small impacts

NASA Astrophysics Data System (ADS)

Bovy, Jo; Erkal, Denis; Sanders, Jason

2017-02-01

streamgap-pepper computes the effect of subhalo fly-bys on cold tidal streams based on the action-angle representation of streams. A line-of-parallel-angle approach is used to calculate the perturbed distribution function of a given stream segment by undoing the effect of all impacts. This approach allows one to compute the perturbed stream density and track in any coordinate system in minutes for realizations of the subhalo distribution down to 10^5 Msun, accounting for the stream's internal dispersion and overlapping impacts. This code uses galpy (ascl:1411.008) and the streampepperdf.py galpy extension, which implements the fast calculation of the perturbed stream structure.

Distributed Environment Control Using Wireless Sensor/Actuator Networks for Lighting Applications

PubMed Central

Nakamura, Masayuki; Sakurai, Atsushi; Nakamura, Jiro

2009-01-01

We propose a decentralized algorithm to calculate the control signals for lights in wireless sensor/actuator networks. This algorithm uses an appropriate step size in the iterative process used for quickly computing the control signals. We demonstrate the accuracy and efficiency of this approach compared with the penalty method by using Mote-based mesh sensor networks. The estimation error of the new approach is one-eighth as large as that of the penalty method with one-fifth of its computation time. In addition, we describe our sensor/actuator node for distributed lighting control based on the decentralized algorithm and demonstrate its practical efficacy. PMID:22291525

A synchrotron-based local computed tomography combined with data-constrained modelling approach for quantitative analysis of anthracite coal microstructure

PubMed Central

Chen, Wen Hao; Yang, Sam Y. S.; Xiao, Ti Qiao; Mayo, Sherry C.; Wang, Yu Dan; Wang, Hai Peng

2014-01-01

Quantifying three-dimensional spatial distributions of pores and material compositions in samples is a key materials characterization challenge, particularly in samples where compositions are distributed across a range of length scales, and where such compositions have similar X-ray absorption properties, such as in coal. Consequently, obtaining detailed information within sub-regions of a multi-length-scale sample by conventional approaches may not provide the resolution and level of detail one might desire. Herein, an approach for quantitative high-definition determination of material compositions from X-ray local computed tomography combined with a data-constrained modelling method is proposed. The approach is capable of dramatically improving the spatial resolution and enabling finer details within a region of interest of a sample larger than the field of view to be revealed than by using conventional techniques. A coal sample containing distributions of porosity and several mineral compositions is employed to demonstrate the approach. The optimal experimental parameters are pre-analyzed. The quantitative results demonstrated that the approach can reveal significantly finer details of compositional distributions in the sample region of interest. The elevated spatial resolution is crucial for coal-bed methane reservoir evaluation and understanding the transformation of the minerals during coal processing. The method is generic and can be applied for three-dimensional compositional characterization of other materials. PMID:24763649

Electromagnetic Simulation of the Near-Field Distribution around a Wind Farm

DOE PAGES

Yang, Shang-Te; Ling, Hao

2013-01-01

An efficienmore » t approach to compute the near-field distribution around and within a wind farm under plane wave excitation is proposed. To make the problem computationally tractable, several simplifying assumptions are made based on the geometry problem. By comparing the approximations against full-wave simulations at 500 MHz, it is shown that the assumptions do not introduce significant errors into the resulting near-field distribution. The near fields around a 3 × 3 wind farm are computed using the developed methodology at 150 MHz, 500 MHz, and 3 GHz. Both the multipath interference patterns and the forward shadows are predicted by the proposed method.« less

Supersonic propulsion simulation by incorporating component models in the large perturbation inlet (LAPIN) computer code

NASA Technical Reports Server (NTRS)

Cole, Gary L.; Richard, Jacques C.

1991-01-01

An approach to simulating the internal flows of supersonic propulsion systems is presented. The approach is based on a fairly simple modification of the Large Perturbation Inlet (LAPIN) computer code. LAPIN uses a quasi-one dimensional, inviscid, unsteady formulation of the continuity, momentum, and energy equations. The equations are solved using a shock capturing, finite difference algorithm. The original code, developed for simulating supersonic inlets, includes engineering models of unstart/restart, bleed, bypass, and variable duct geometry, by means of source terms in the equations. The source terms also provide a mechanism for incorporating, with the inlet, propulsion system components such as compressor stages, combustors, and turbine stages. This requires each component to be distributed axially over a number of grid points. Because of the distributed nature of such components, this representation should be more accurate than a lumped parameter model. Components can be modeled by performance map(s), which in turn are used to compute the source terms. The general approach is described. Then, simulation of a compressor/fan stage is discussed to show the approach in detail.

A Constructive Induction Approach to Computer Immunology

DTIC Science & Technology

1999-03-01

LVM98] Lamont, Gary B., David A. Van Veldhuizen , and Robert E Marmelstein, A Distributed Architecture for a Self-Adaptive Computer Virus...Artificial Intelligence, Herndon, VA, 1995. [MVL98] Marmelstein, Robert E., David A. Van Veldhuizen , and Gary B. Lamont. Modeling & Analysis

Distributed computing for macromolecular crystallography

PubMed Central

Krissinel, Evgeny; Uski, Ville; Lebedev, Andrey; Ballard, Charles

2018-01-01

Modern crystallographic computing is characterized by the growing role of automated structure-solution pipelines, which represent complex expert systems utilizing a number of program components, decision makers and databases. They also require considerable computational resources and regular database maintenance, which is increasingly more difficult to provide at the level of individual desktop-based CCP4 setups. On the other hand, there is a significant growth in data processed in the field, which brings up the issue of centralized facilities for keeping both the data collected and structure-solution projects. The paradigm of distributed computing and data management offers a convenient approach to tackling these problems, which has become more attractive in recent years owing to the popularity of mobile devices such as tablets and ultra-portable laptops. In this article, an overview is given of developments by CCP4 aimed at bringing distributed crystallographic computations to a wide crystallographic community. PMID:29533240

Distributed computing for macromolecular crystallography.

PubMed

Krissinel, Evgeny; Uski, Ville; Lebedev, Andrey; Winn, Martyn; Ballard, Charles

2018-02-01

Modern crystallographic computing is characterized by the growing role of automated structure-solution pipelines, which represent complex expert systems utilizing a number of program components, decision makers and databases. They also require considerable computational resources and regular database maintenance, which is increasingly more difficult to provide at the level of individual desktop-based CCP4 setups. On the other hand, there is a significant growth in data processed in the field, which brings up the issue of centralized facilities for keeping both the data collected and structure-solution projects. The paradigm of distributed computing and data management offers a convenient approach to tackling these problems, which has become more attractive in recent years owing to the popularity of mobile devices such as tablets and ultra-portable laptops. In this article, an overview is given of developments by CCP4 aimed at bringing distributed crystallographic computations to a wide crystallographic community.

On the sighting of unicorns: A variational approach to computing invariant sets in dynamical systems

NASA Astrophysics Data System (ADS)

Junge, Oliver; Kevrekidis, Ioannis G.

2017-06-01

We propose to compute approximations to invariant sets in dynamical systems by minimizing an appropriate distance between a suitably selected finite set of points and its image under the dynamics. We demonstrate, through computational experiments, that this approach can successfully converge to approximations of (maximal) invariant sets of arbitrary topology, dimension, and stability, such as, e.g., saddle type invariant sets with complicated dynamics. We further propose to extend this approach by adding a Lennard-Jones type potential term to the objective function, which yields more evenly distributed approximating finite point sets, and illustrate the procedure through corresponding numerical experiments.

On the sighting of unicorns: A variational approach to computing invariant sets in dynamical systems.

PubMed

Junge, Oliver; Kevrekidis, Ioannis G

2017-06-01

We propose to compute approximations to invariant sets in dynamical systems by minimizing an appropriate distance between a suitably selected finite set of points and its image under the dynamics. We demonstrate, through computational experiments, that this approach can successfully converge to approximations of (maximal) invariant sets of arbitrary topology, dimension, and stability, such as, e.g., saddle type invariant sets with complicated dynamics. We further propose to extend this approach by adding a Lennard-Jones type potential term to the objective function, which yields more evenly distributed approximating finite point sets, and illustrate the procedure through corresponding numerical experiments.

Probability Distributome: A Web Computational Infrastructure for Exploring the Properties, Interrelations, and Applications of Probability Distributions.

PubMed

Dinov, Ivo D; Siegrist, Kyle; Pearl, Dennis K; Kalinin, Alexandr; Christou, Nicolas

2016-06-01

Probability distributions are useful for modeling, simulation, analysis, and inference on varieties of natural processes and physical phenomena. There are uncountably many probability distributions. However, a few dozen families of distributions are commonly defined and are frequently used in practice for problem solving, experimental applications, and theoretical studies. In this paper, we present a new computational and graphical infrastructure, the Distributome , which facilitates the discovery, exploration and application of diverse spectra of probability distributions. The extensible Distributome infrastructure provides interfaces for (human and machine) traversal, search, and navigation of all common probability distributions. It also enables distribution modeling, applications, investigation of inter-distribution relations, as well as their analytical representations and computational utilization. The entire Distributome framework is designed and implemented as an open-source, community-built, and Internet-accessible infrastructure. It is portable, extensible and compatible with HTML5 and Web2.0 standards (http://Distributome.org). We demonstrate two types of applications of the probability Distributome resources: computational research and science education. The Distributome tools may be employed to address five complementary computational modeling applications (simulation, data-analysis and inference, model-fitting, examination of the analytical, mathematical and computational properties of specific probability distributions, and exploration of the inter-distributional relations). Many high school and college science, technology, engineering and mathematics (STEM) courses may be enriched by the use of modern pedagogical approaches and technology-enhanced methods. The Distributome resources provide enhancements for blended STEM education by improving student motivation, augmenting the classical curriculum with interactive webapps, and overhauling the learning assessment protocols.

Probability Distributome: A Web Computational Infrastructure for Exploring the Properties, Interrelations, and Applications of Probability Distributions

PubMed Central

Dinov, Ivo D.; Siegrist, Kyle; Pearl, Dennis K.; Kalinin, Alexandr; Christou, Nicolas

2015-01-01

Probability distributions are useful for modeling, simulation, analysis, and inference on varieties of natural processes and physical phenomena. There are uncountably many probability distributions. However, a few dozen families of distributions are commonly defined and are frequently used in practice for problem solving, experimental applications, and theoretical studies. In this paper, we present a new computational and graphical infrastructure, the Distributome, which facilitates the discovery, exploration and application of diverse spectra of probability distributions. The extensible Distributome infrastructure provides interfaces for (human and machine) traversal, search, and navigation of all common probability distributions. It also enables distribution modeling, applications, investigation of inter-distribution relations, as well as their analytical representations and computational utilization. The entire Distributome framework is designed and implemented as an open-source, community-built, and Internet-accessible infrastructure. It is portable, extensible and compatible with HTML5 and Web2.0 standards (http://Distributome.org). We demonstrate two types of applications of the probability Distributome resources: computational research and science education. The Distributome tools may be employed to address five complementary computational modeling applications (simulation, data-analysis and inference, model-fitting, examination of the analytical, mathematical and computational properties of specific probability distributions, and exploration of the inter-distributional relations). Many high school and college science, technology, engineering and mathematics (STEM) courses may be enriched by the use of modern pedagogical approaches and technology-enhanced methods. The Distributome resources provide enhancements for blended STEM education by improving student motivation, augmenting the classical curriculum with interactive webapps, and overhauling the learning assessment protocols. PMID:27158191

On joint subtree distributions under two evolutionary models.

PubMed

Wu, Taoyang; Choi, Kwok Pui

2016-04-01

In population and evolutionary biology, hypotheses about micro-evolutionary and macro-evolutionary processes are commonly tested by comparing the shape indices of empirical evolutionary trees with those predicted by neutral models. A key ingredient in this approach is the ability to compute and quantify distributions of various tree shape indices under random models of interest. As a step to meet this challenge, in this paper we investigate the joint distribution of cherries and pitchforks (that is, subtrees with two and three leaves) under two widely used null models: the Yule-Harding-Kingman (YHK) model and the proportional to distinguishable arrangements (PDA) model. Based on two novel recursive formulae, we propose a dynamic approach to numerically compute the exact joint distribution (and hence the marginal distributions) for trees of any size. We also obtained insights into the statistical properties of trees generated under these two models, including a constant correlation between the cherry and the pitchfork distributions under the YHK model, and the log-concavity and unimodality of the cherry distributions under both models. In addition, we show that there exists a unique change point for the cherry distributions between these two models. Copyright © 2015 Elsevier Inc. All rights reserved.

The Gain of Resource Delegation in Distributed Computing Environments

NASA Astrophysics Data System (ADS)

Fölling, Alexander; Grimme, Christian; Lepping, Joachim; Papaspyrou, Alexander

In this paper, we address job scheduling in Distributed Computing Infrastructures, that is a loosely coupled network of autonomous acting High Performance Computing systems. In contrast to the common approach of mutual workload exchange, we consider the more intuitive operator's viewpoint of load-dependent resource reconfiguration. In case of a site's over-utilization, the scheduling system is able to lease resources from other sites to keep up service quality for its local user community. Contrary, the granting of idle resources can increase utilization in times of low local workload and thus ensure higher efficiency. The evaluation considers real workload data and is done with respect to common service quality indicators. For two simple resource exchange policies and three basic setups we show the possible gain of this approach and analyze the dynamics in workload-adaptive reconfiguration behavior.

Vascular system modeling in parallel environment - distributed and shared memory approaches

PubMed Central

Jurczuk, Krzysztof; Kretowski, Marek; Bezy-Wendling, Johanne

2011-01-01

The paper presents two approaches in parallel modeling of vascular system development in internal organs. In the first approach, new parts of tissue are distributed among processors and each processor is responsible for perfusing its assigned parts of tissue to all vascular trees. Communication between processors is accomplished by passing messages and therefore this algorithm is perfectly suited for distributed memory architectures. The second approach is designed for shared memory machines. It parallelizes the perfusion process during which individual processing units perform calculations concerning different vascular trees. The experimental results, performed on a computing cluster and multi-core machines, show that both algorithms provide a significant speedup. PMID:21550891

Representation-Independent Iteration of Sparse Data Arrays

NASA Technical Reports Server (NTRS)

James, Mark

2007-01-01

An approach is defined that describes a method of iterating over massively large arrays containing sparse data using an approach that is implementation independent of how the contents of the sparse arrays are laid out in memory. What is unique and important here is the decoupling of the iteration over the sparse set of array elements from how they are internally represented in memory. This enables this approach to be backward compatible with existing schemes for representing sparse arrays as well as new approaches. What is novel here is a new approach for efficiently iterating over sparse arrays that is independent of the underlying memory layout representation of the array. A functional interface is defined for implementing sparse arrays in any modern programming language with a particular focus for the Chapel programming language. Examples are provided that show the translation of a loop that computes a matrix vector product into this representation for both the distributed and not-distributed cases. This work is directly applicable to NASA and its High Productivity Computing Systems (HPCS) program that JPL and our current program are engaged in. The goal of this program is to create powerful, scalable, and economically viable high-powered computer systems suitable for use in national security and industry by 2010. This is important to NASA for its computationally intensive requirements for analyzing and understanding the volumes of science data from our returned missions.

MapReduce Based Parallel Bayesian Network for Manufacturing Quality Control

NASA Astrophysics Data System (ADS)

Zheng, Mao-Kuan; Ming, Xin-Guo; Zhang, Xian-Yu; Li, Guo-Ming

2017-09-01

Increasing complexity of industrial products and manufacturing processes have challenged conventional statistics based quality management approaches in the circumstances of dynamic production. A Bayesian network and big data analytics integrated approach for manufacturing process quality analysis and control is proposed. Based on Hadoop distributed architecture and MapReduce parallel computing model, big volume and variety quality related data generated during the manufacturing process could be dealt with. Artificial intelligent algorithms, including Bayesian network learning, classification and reasoning, are embedded into the Reduce process. Relying on the ability of the Bayesian network in dealing with dynamic and uncertain problem and the parallel computing power of MapReduce, Bayesian network of impact factors on quality are built based on prior probability distribution and modified with posterior probability distribution. A case study on hull segment manufacturing precision management for ship and offshore platform building shows that computing speed accelerates almost directly proportionally to the increase of computing nodes. It is also proved that the proposed model is feasible for locating and reasoning of root causes, forecasting of manufacturing outcome, and intelligent decision for precision problem solving. The integration of bigdata analytics and BN method offers a whole new perspective in manufacturing quality control.

Inclusion of Mobility-Impaired Children in the One-to-One Computing Era: A Case Study

ERIC Educational Resources Information Center

Mangiatordi, Andrea

2012-01-01

In recent times many developing countries have adopted a one-to-one model for distributing computers in classrooms. Among the various effects that such an approach could imply, it surely increases the availability of computer-related Assistive Technology at school and provides higher resources for empowering disabled children in their learning and…

Mapping snow depth return levels: smooth spatial modeling versus station interpolation

NASA Astrophysics Data System (ADS)

Blanchet, J.; Lehning, M.

2010-12-01

For adequate risk management in mountainous countries, hazard maps for extreme snow events are needed. This requires the computation of spatial estimates of return levels. In this article we use recent developments in extreme value theory and compare two main approaches for mapping snow depth return levels from in situ measurements. The first one is based on the spatial interpolation of pointwise extremal distributions (the so-called Generalized Extreme Value distribution, GEV henceforth) computed at station locations. The second one is new and based on the direct estimation of a spatially smooth GEV distribution with the joint use of all stations. We compare and validate the different approaches for modeling annual maximum snow depth measured at 100 sites in Switzerland during winters 1965-1966 to 2007-2008. The results show a better performance of the smooth GEV distribution fitting, in particular where the station network is sparser. Smooth return level maps can be computed from the fitted model without any further interpolation. Their regional variability can be revealed by removing the altitudinal dependent covariates in the model. We show how return levels and their regional variability are linked to the main climatological patterns of Switzerland.

A distributed computing system for magnetic resonance imaging: Java-based processing and binding of XML.

PubMed

de Beer, R; Graveron-Demilly, D; Nastase, S; van Ormondt, D

2004-03-01

Recently we have developed a Java-based heterogeneous distributed computing system for the field of magnetic resonance imaging (MRI). It is a software system for embedding the various image reconstruction algorithms that we have created for handling MRI data sets with sparse sampling distributions. Since these data sets may result from multi-dimensional MRI measurements our system has to control the storage and manipulation of large amounts of data. In this paper we describe how we have employed the extensible markup language (XML) to realize this data handling in a highly structured way. To that end we have used Java packages, recently released by Sun Microsystems, to process XML documents and to compile pieces of XML code into Java classes. We have effectuated a flexible storage and manipulation approach for all kinds of data within the MRI system, such as data describing and containing multi-dimensional MRI measurements, data configuring image reconstruction methods and data representing and visualizing the various services of the system. We have found that the object-oriented approach, possible with the Java programming environment, combined with the XML technology is a convenient way of describing and handling various data streams in heterogeneous distributed computing systems.

Towards an Approach of Semantic Access Control for Cloud Computing

NASA Astrophysics Data System (ADS)

Hu, Luokai; Ying, Shi; Jia, Xiangyang; Zhao, Kai

With the development of cloud computing, the mutual understandability among distributed Access Control Policies (ACPs) has become an important issue in the security field of cloud computing. Semantic Web technology provides the solution to semantic interoperability of heterogeneous applications. In this paper, we analysis existing access control methods and present a new Semantic Access Control Policy Language (SACPL) for describing ACPs in cloud computing environment. Access Control Oriented Ontology System (ACOOS) is designed as the semantic basis of SACPL. Ontology-based SACPL language can effectively solve the interoperability issue of distributed ACPs. This study enriches the research that the semantic web technology is applied in the field of security, and provides a new way of thinking of access control in cloud computing.

MRPack: Multi-Algorithm Execution Using Compute-Intensive Approach in MapReduce

PubMed Central

2015-01-01

Large quantities of data have been generated from multiple sources at exponential rates in the last few years. These data are generated at high velocity as real time and streaming data in variety of formats. These characteristics give rise to challenges in its modeling, computation, and processing. Hadoop MapReduce (MR) is a well known data-intensive distributed processing framework using the distributed file system (DFS) for Big Data. Current implementations of MR only support execution of a single algorithm in the entire Hadoop cluster. In this paper, we propose MapReducePack (MRPack), a variation of MR that supports execution of a set of related algorithms in a single MR job. We exploit the computational capability of a cluster by increasing the compute-intensiveness of MapReduce while maintaining its data-intensive approach. It uses the available computing resources by dynamically managing the task assignment and intermediate data. Intermediate data from multiple algorithms are managed using multi-key and skew mitigation strategies. The performance study of the proposed system shows that it is time, I/O, and memory efficient compared to the default MapReduce. The proposed approach reduces the execution time by 200% with an approximate 50% decrease in I/O cost. Complexity and qualitative results analysis shows significant performance improvement. PMID:26305223

MRPack: Multi-Algorithm Execution Using Compute-Intensive Approach in MapReduce.

PubMed

Idris, Muhammad; Hussain, Shujaat; Siddiqi, Muhammad Hameed; Hassan, Waseem; Syed Muhammad Bilal, Hafiz; Lee, Sungyoung

2015-01-01

Large quantities of data have been generated from multiple sources at exponential rates in the last few years. These data are generated at high velocity as real time and streaming data in variety of formats. These characteristics give rise to challenges in its modeling, computation, and processing. Hadoop MapReduce (MR) is a well known data-intensive distributed processing framework using the distributed file system (DFS) for Big Data. Current implementations of MR only support execution of a single algorithm in the entire Hadoop cluster. In this paper, we propose MapReducePack (MRPack), a variation of MR that supports execution of a set of related algorithms in a single MR job. We exploit the computational capability of a cluster by increasing the compute-intensiveness of MapReduce while maintaining its data-intensive approach. It uses the available computing resources by dynamically managing the task assignment and intermediate data. Intermediate data from multiple algorithms are managed using multi-key and skew mitigation strategies. The performance study of the proposed system shows that it is time, I/O, and memory efficient compared to the default MapReduce. The proposed approach reduces the execution time by 200% with an approximate 50% decrease in I/O cost. Complexity and qualitative results analysis shows significant performance improvement.

Parallelization of a spatial random field characterization process using the Method of Anchored Distributions and the HTCondor high throughput computing system

NASA Astrophysics Data System (ADS)

Osorio-Murillo, C. A.; Over, M. W.; Frystacky, H.; Ames, D. P.; Rubin, Y.

2013-12-01

A new software application called MAD# has been coupled with the HTCondor high throughput computing system to aid scientists and educators with the characterization of spatial random fields and enable understanding the spatial distribution of parameters used in hydrogeologic and related modeling. MAD# is an open source desktop software application used to characterize spatial random fields using direct and indirect information through Bayesian inverse modeling technique called the Method of Anchored Distributions (MAD). MAD relates indirect information with a target spatial random field via a forward simulation model. MAD# executes inverse process running the forward model multiple times to transfer information from indirect information to the target variable. MAD# uses two parallelization profiles according to computational resources available: one computer with multiple cores and multiple computers - multiple cores through HTCondor. HTCondor is a system that manages a cluster of desktop computers for submits serial or parallel jobs using scheduling policies, resources monitoring, job queuing mechanism. This poster will show how MAD# reduces the time execution of the characterization of random fields using these two parallel approaches in different case studies. A test of the approach was conducted using 1D problem with 400 cells to characterize saturated conductivity, residual water content, and shape parameters of the Mualem-van Genuchten model in four materials via the HYDRUS model. The number of simulations evaluated in the inversion was 10 million. Using the one computer approach (eight cores) were evaluated 100,000 simulations in 12 hours (10 million - 1200 hours approximately). In the evaluation on HTCondor, 32 desktop computers (132 cores) were used, with a processing time of 60 hours non-continuous in five days. HTCondor reduced the processing time for uncertainty characterization by a factor of 20 (1200 hours reduced to 60 hours.)

Internal field distribution of a radially inhomogeneous droplet illuminated by an arbitrary shaped beam

NASA Astrophysics Data System (ADS)

Wang, Jia Jie; Wriedt, Thomas; Han, Yi Ping; Mädler, Lutz; Jiao, Yong Chang

2018-05-01

Light scattering of a radially inhomogeneous droplet, which is modeled by a multilayered sphere, is investigated within the framework of Generalized Lorenz-Mie Theory (GLMT), with particular efforts devoted to the analysis of the internal field distribution in the cases of shaped beam illumination. To circumvent numerical difficulties in the computation of internal field for an absorbing/non-absorbing droplet with pretty large size parameter, a recursive algorithm is proposed by reformulation of the equations for the expansion coefficients. Two approaches are proposed for the prediction of the internal field distribution, namely a rigorous method and an approximation method. The developed computer code is tested to be stable in a wide range of size parameters. Numerical computations are implemented to simulate the internal field distributions of a radially inhomogeneous droplet illuminated by a focused Gaussian beam.

A method for modeling finite-core vortices in wake-flow calculations

NASA Technical Reports Server (NTRS)

Stremel, P. M.

1984-01-01

A numerical method for computing nonplanar vortex wakes represented by finite-core vortices is presented. The approach solves for the velocity on an Eulerian grid, using standard finite-difference techniques; the vortex wake is tracked by Lagrangian methods. In this method, the distribution of continuous vorticity in the wake is replaced by a group of discrete vortices. An axially symmetric distribution of vorticity about the center of each discrete vortex is used to represent the finite-core model. Two distributions of vorticity, or core models, are investigated: a finite distribution of vorticity represented by a third-order polynomial, and a continuous distribution of vorticity throughout the wake. The method provides for a vortex-core model that is insensitive to the mesh spacing. Results for a simplified case are presented. Computed results for the roll-up of a vortex wake generated by wings with different spanwise load distributions are presented; contour plots of the flow-field velocities are included; and comparisons are made of the computed flow-field velocities with experimentally measured velocities.

Least squares QR-based decomposition provides an efficient way of computing optimal regularization parameter in photoacoustic tomography.

PubMed

Shaw, Calvin B; Prakash, Jaya; Pramanik, Manojit; Yalavarthy, Phaneendra K

2013-08-01

A computationally efficient approach that computes the optimal regularization parameter for the Tikhonov-minimization scheme is developed for photoacoustic imaging. This approach is based on the least squares-QR decomposition which is a well-known dimensionality reduction technique for a large system of equations. It is shown that the proposed framework is effective in terms of quantitative and qualitative reconstructions of initial pressure distribution enabled via finding an optimal regularization parameter. The computational efficiency and performance of the proposed method are shown using a test case of numerical blood vessel phantom, where the initial pressure is exactly known for quantitative comparison.

Selecting Summary Statistics in Approximate Bayesian Computation for Calibrating Stochastic Models

PubMed Central

Burr, Tom

2013-01-01

Approximate Bayesian computation (ABC) is an approach for using measurement data to calibrate stochastic computer models, which are common in biology applications. ABC is becoming the “go-to” option when the data and/or parameter dimension is large because it relies on user-chosen summary statistics rather than the full data and is therefore computationally feasible. One technical challenge with ABC is that the quality of the approximation to the posterior distribution of model parameters depends on the user-chosen summary statistics. In this paper, the user requirement to choose effective summary statistics in order to accurately estimate the posterior distribution of model parameters is investigated and illustrated by example, using a model and corresponding real data of mitochondrial DNA population dynamics. We show that for some choices of summary statistics, the posterior distribution of model parameters is closely approximated and for other choices of summary statistics, the posterior distribution is not closely approximated. A strategy to choose effective summary statistics is suggested in cases where the stochastic computer model can be run at many trial parameter settings, as in the example. PMID:24288668

Selecting summary statistics in approximate Bayesian computation for calibrating stochastic models.

PubMed

Burr, Tom; Skurikhin, Alexei

2013-01-01

Approximate Bayesian computation (ABC) is an approach for using measurement data to calibrate stochastic computer models, which are common in biology applications. ABC is becoming the "go-to" option when the data and/or parameter dimension is large because it relies on user-chosen summary statistics rather than the full data and is therefore computationally feasible. One technical challenge with ABC is that the quality of the approximation to the posterior distribution of model parameters depends on the user-chosen summary statistics. In this paper, the user requirement to choose effective summary statistics in order to accurately estimate the posterior distribution of model parameters is investigated and illustrated by example, using a model and corresponding real data of mitochondrial DNA population dynamics. We show that for some choices of summary statistics, the posterior distribution of model parameters is closely approximated and for other choices of summary statistics, the posterior distribution is not closely approximated. A strategy to choose effective summary statistics is suggested in cases where the stochastic computer model can be run at many trial parameter settings, as in the example.

An Equivalent cross-section Framework for improving computational efficiency in Distributed Hydrologic Modelling

NASA Astrophysics Data System (ADS)

Khan, Urooj; Tuteja, Narendra; Ajami, Hoori; Sharma, Ashish

2014-05-01

While the potential uses and benefits of distributed catchment simulation models is undeniable, their practical usage is often hindered by the computational resources they demand. To reduce the computational time/effort in distributed hydrological modelling, a new approach of modelling over an equivalent cross-section is investigated where topographical and physiographic properties of first-order sub-basins are aggregated to constitute modelling elements. To formulate an equivalent cross-section, a homogenization test is conducted to assess the loss in accuracy when averaging topographic and physiographic variables, i.e. length, slope, soil depth and soil type. The homogenization test indicates that the accuracy lost in weighting the soil type is greatest, therefore it needs to be weighted in a systematic manner to formulate equivalent cross-sections. If the soil type remains the same within the sub-basin, a single equivalent cross-section is formulated for the entire sub-basin. If the soil type follows a specific pattern, i.e. different soil types near the centre of the river, middle of hillslope and ridge line, three equivalent cross-sections (left bank, right bank and head water) are required. If the soil types are complex and do not follow any specific pattern, multiple equivalent cross-sections are required based on the number of soil types. The equivalent cross-sections are formulated for a series of first order sub-basins by implementing different weighting methods of topographic and physiographic variables of landforms within the entire or part of a hillslope. The formulated equivalent cross-sections are then simulated using a 2-dimensional, Richards' equation based distributed hydrological model. The simulated fluxes are multiplied by the weighted area of each equivalent cross-section to calculate the total fluxes from the sub-basins. The simulated fluxes include horizontal flow, transpiration, soil evaporation, deep drainage and soil moisture. To assess the accuracy of equivalent cross-section approach, the sub-basins are also divided into equally spaced multiple hillslope cross-sections. These cross-sections are simulated in a fully distributed settings using the 2-dimensional, Richards' equation based distributed hydrological model. The simulated fluxes are multiplied by the contributing area of each cross-section to get total fluxes from each sub-basin referred as reference fluxes. The equivalent cross-section approach is investigated for seven first order sub-basins of the McLaughlin catchment of the Snowy River, NSW, Australia, and evaluated in Wagga-Wagga experimental catchment. Our results show that the simulated fluxes using an equivalent cross-section approach are very close to the reference fluxes whereas computational time is reduced of the order of ~4 to ~22 times in comparison to the fully distributed settings. The transpiration and soil evaporation are the dominant fluxes and constitute ~85% of actual rainfall. Overall, the accuracy achieved in dominant fluxes is higher than the other fluxes. The simulated soil moistures from equivalent cross-section approach are compared with the in-situ soil moisture observations in the Wagga-Wagga experimental catchment in NSW, and results found to be consistent. Our results illustrate that the equivalent cross-section approach reduces the computational time significantly while maintaining the same order of accuracy in predicting the hydrological fluxes. As a result, this approach provides a great potential for implementation of distributed hydrological models at regional scales.

An Event-Based Approach to Distributed Diagnosis of Continuous Systems

NASA Technical Reports Server (NTRS)

Daigle, Matthew; Roychoudhurry, Indranil; Biswas, Gautam; Koutsoukos, Xenofon

2010-01-01

Distributed fault diagnosis solutions are becoming necessary due to the complexity of modern engineering systems, and the advent of smart sensors and computing elements. This paper presents a novel event-based approach for distributed diagnosis of abrupt parametric faults in continuous systems, based on a qualitative abstraction of measurement deviations from the nominal behavior. We systematically derive dynamic fault signatures expressed as event-based fault models. We develop a distributed diagnoser design algorithm that uses these models for designing local event-based diagnosers based on global diagnosability analysis. The local diagnosers each generate globally correct diagnosis results locally, without a centralized coordinator, and by communicating a minimal number of measurements between themselves. The proposed approach is applied to a multi-tank system, and results demonstrate a marked improvement in scalability compared to a centralized approach.

Offdiagonal complexity: A computationally quick complexity measure for graphs and networks

NASA Astrophysics Data System (ADS)

Claussen, Jens Christian

2007-02-01

A vast variety of biological, social, and economical networks shows topologies drastically differing from random graphs; yet the quantitative characterization remains unsatisfactory from a conceptual point of view. Motivated from the discussion of small scale-free networks, a biased link distribution entropy is defined, which takes an extremum for a power-law distribution. This approach is extended to the node-node link cross-distribution, whose nondiagonal elements characterize the graph structure beyond link distribution, cluster coefficient and average path length. From here a simple (and computationally cheap) complexity measure can be defined. This offdiagonal complexity (OdC) is proposed as a novel measure to characterize the complexity of an undirected graph, or network. While both for regular lattices and fully connected networks OdC is zero, it takes a moderately low value for a random graph and shows high values for apparently complex structures as scale-free networks and hierarchical trees. The OdC approach is applied to the Helicobacter pylori protein interaction network and randomly rewired surrogates.

Ant system: optimization by a colony of cooperating agents.

PubMed

Dorigo, M; Maniezzo, V; Colorni, A

1996-01-01

An analogy with the way ant colonies function has suggested the definition of a new computational paradigm, which we call ant system (AS). We propose it as a viable new approach to stochastic combinatorial optimization. The main characteristics of this model are positive feedback, distributed computation, and the use of a constructive greedy heuristic. Positive feedback accounts for rapid discovery of good solutions, distributed computation avoids premature convergence, and the greedy heuristic helps find acceptable solutions in the early stages of the search process. We apply the proposed methodology to the classical traveling salesman problem (TSP), and report simulation results. We also discuss parameter selection and the early setups of the model, and compare it with tabu search and simulated annealing using TSP. To demonstrate the robustness of the approach, we show how the ant system (AS) can be applied to other optimization problems like the asymmetric traveling salesman, the quadratic assignment and the job-shop scheduling. Finally we discuss the salient characteristics-global data structure revision, distributed communication and probabilistic transitions of the AS.

Physics Based Modeling and Rendering of Vegetation in the Thermal Infrared

NASA Technical Reports Server (NTRS)

Smith, J. A.; Ballard, J. R., Jr.

1999-01-01

We outline a procedure for rendering physically-based thermal infrared images of simple vegetation scenes. Our approach incorporates the biophysical processes that affect the temperature distribution of the elements within a scene. Computer graphics plays a key role in two respects. First, in computing the distribution of scene shaded and sunlit facets and, second, in the final image rendering once the temperatures of all the elements in the scene have been computed. We illustrate our approach for a simple corn scene where the three-dimensional geometry is constructed based on measured morphological attributes of the row crop. Statistical methods are used to construct a representation of the scene in agreement with the measured characteristics. Our results are quite good. The rendered images exhibit realistic behavior in directional properties as a function of view and sun angle. The root-mean-square error in measured versus predicted brightness temperatures for the scene was 2.1 deg C.

Numerical Simulations of Flow Separation Control in Low-Pressure Turbines using Plasma Actuators

NASA Technical Reports Server (NTRS)

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

2007-01-01

A recently introduced phenomenological model to simulate flow control applications using plasma actuators has been further developed and improved in order to expand its use to complicated actuator geometries. The new modeling approach eliminates the requirement of an empirical charge density distribution shape by using the embedded electrode as a source for the charge density. The resulting model is validated against a flat plate experiment with quiescent environment. The modeling approach incorporates the effect of the plasma actuators on the external flow into Navier Stokes computations as a body force vector which is obtained as a product of the net charge density and the electric field. The model solves the Maxwell equation to obtain the electric field due to the applied AC voltage at the electrodes and an additional equation for the charge density distribution representing the plasma density. The new modeling approach solves the charge density equation in the computational domain assuming the embedded electrode as a source therefore automatically generating a charge density distribution on the surface exposed to the flow similar to that observed in the experiments without explicitly specifying an empirical distribution. The model is validated against a flat plate experiment with quiescent environment.

Bayesian seismic inversion based on rock-physics prior modeling for the joint estimation of acoustic impedance, porosity and lithofacies

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

Passos de Figueiredo, Leandro, E-mail: leandrop.fgr@gmail.com; Grana, Dario; Santos, Marcio

We propose a Bayesian approach for seismic inversion to estimate acoustic impedance, porosity and lithofacies within the reservoir conditioned to post-stack seismic and well data. The link between elastic and petrophysical properties is given by a joint prior distribution for the logarithm of impedance and porosity, based on a rock-physics model. The well conditioning is performed through a background model obtained by well log interpolation. Two different approaches are presented: in the first approach, the prior is defined by a single Gaussian distribution, whereas in the second approach it is defined by a Gaussian mixture to represent the well datamore » multimodal distribution and link the Gaussian components to different geological lithofacies. The forward model is based on a linearized convolutional model. For the single Gaussian case, we obtain an analytical expression for the posterior distribution, resulting in a fast algorithm to compute the solution of the inverse problem, i.e. the posterior distribution of acoustic impedance and porosity as well as the facies probability given the observed data. For the Gaussian mixture prior, it is not possible to obtain the distributions analytically, hence we propose a Gibbs algorithm to perform the posterior sampling and obtain several reservoir model realizations, allowing an uncertainty analysis of the estimated properties and lithofacies. Both methodologies are applied to a real seismic dataset with three wells to obtain 3D models of acoustic impedance, porosity and lithofacies. The methodologies are validated through a blind well test and compared to a standard Bayesian inversion approach. Using the probability of the reservoir lithofacies, we also compute a 3D isosurface probability model of the main oil reservoir in the studied field.« less

A Group Theoretic Approach to Metaheuristic Local Search for Partitioning Problems

DTIC Science & Technology

2005-05-01

Tabu Search. Mathematical and Computer Modeling 39: 599-616. 107 Daskin , M.S., E. Stern. 1981. A Hierarchical Objective Set Covering Model for EMS... A Group Theoretic Approach to Metaheuristic Local Search for Partitioning Problems by Gary W. Kinney Jr., B.G.S., M.S. Dissertation Presented to the...DISTRIBUTION STATEMENT A Approved for Public Release Distribution Unlimited The University of Texas at Austin May, 2005 20050504 002 REPORT

Distributed Computing for Signal Processing: Modeling of Asynchronous Parallel Computation.

DTIC Science & Technology

1986-03-01

the proposed approaches 16, 16, 40 . 451. The conclusion most often reached is that the best scheme to use in a particular design depends highly upon...76. 40 . Siegel, H. J., McMillen. R. J., and Mueller. P. T.. Jr. A survey of interconnection methods for reconligurable parallel processing systems...addressing meehaanm distributed in the network area rimonication% tit reach gigabit./second speeds je g.. PoCoS83 .’ i.V--i the lirO! lk i nitronment is

User-Defined Data Distributions in High-Level Programming Languages

NASA Technical Reports Server (NTRS)

Diaconescu, Roxana E.; Zima, Hans P.

2006-01-01

One of the characteristic features of today s high performance computing systems is a physically distributed memory. Efficient management of locality is essential for meeting key performance requirements for these architectures. The standard technique for dealing with this issue has involved the extension of traditional sequential programming languages with explicit message passing, in the context of a processor-centric view of parallel computation. This has resulted in complex and error-prone assembly-style codes in which algorithms and communication are inextricably interwoven. This paper presents a high-level approach to the design and implementation of data distributions. Our work is motivated by the need to improve the current parallel programming methodology by introducing a paradigm supporting the development of efficient and reusable parallel code. This approach is currently being implemented in the context of a new programming language called Chapel, which is designed in the HPCS project Cascade.

A high performance computing framework for physics-based modeling and simulation of military ground vehicles

NASA Astrophysics Data System (ADS)

Negrut, Dan; Lamb, David; Gorsich, David

2011-06-01

This paper describes a software infrastructure made up of tools and libraries designed to assist developers in implementing computational dynamics applications running on heterogeneous and distributed computing environments. Together, these tools and libraries compose a so called Heterogeneous Computing Template (HCT). The heterogeneous and distributed computing hardware infrastructure is assumed herein to be made up of a combination of CPUs and Graphics Processing Units (GPUs). The computational dynamics applications targeted to execute on such a hardware topology include many-body dynamics, smoothed-particle hydrodynamics (SPH) fluid simulation, and fluid-solid interaction analysis. The underlying theme of the solution approach embraced by HCT is that of partitioning the domain of interest into a number of subdomains that are each managed by a separate core/accelerator (CPU/GPU) pair. Five components at the core of HCT enable the envisioned distributed computing approach to large-scale dynamical system simulation: (a) the ability to partition the problem according to the one-to-one mapping; i.e., spatial subdivision, discussed above (pre-processing); (b) a protocol for passing data between any two co-processors; (c) algorithms for element proximity computation; and (d) the ability to carry out post-processing in a distributed fashion. In this contribution the components (a) and (b) of the HCT are demonstrated via the example of the Discrete Element Method (DEM) for rigid body dynamics with friction and contact. The collision detection task required in frictional-contact dynamics (task (c) above), is shown to benefit on the GPU of a two order of magnitude gain in efficiency when compared to traditional sequential implementations. Note: Reference herein to any specific commercial products, process, or service by trade name, trademark, manufacturer, or otherwise, does not imply its endorsement, recommendation, or favoring by the United States Army. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Army, and shall not be used for advertising or product endorsement purposes.

A parallel-processing approach to computing for the geographic sciences

USGS Publications Warehouse

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

2001-01-01

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

An asymptotic method for estimating the vertical ozone distribution in the Earth's atmosphere from satellite measurements of backscattered solar UV-radiation

NASA Technical Reports Server (NTRS)

Ishov, Alexander G.

1994-01-01

An asymptotic approach to solution of the inverse problems of remote sensing is presented. It consists in changing integral operators characteristic of outgoing radiation into their asymptotic analogues. Such approach does not add new principal uncertainties into the problem and significantly reduces computation time that allows to develop the real (or about) time algorithms for interpretation of satellite measurements. The asymptotic approach has been realized for estimating vertical ozone distribution from satellite measurements of backscatter solar UV radiation in the Earth's atmosphere.

Distributed Algorithms for Probabilistic Solution of Computational Vision Problems.

DTIC Science & Technology

1988-03-01

34 targets. Legters and Young (1982) developed an operator-based approach r% using foreground and background models and solved a least-squares minimiza...1960), "Finite Markov Chains", Van Nostrand, , - New York. Legters , G.R., and Young, T.Y. (1982), "A Mathematical Model for Computer Image Tracking

Processing Diabetes Mellitus Composite Events in MAGPIE.

PubMed

Brugués, Albert; Bromuri, Stefano; Barry, Michael; Del Toro, Óscar Jiménez; Mazurkiewicz, Maciej R; Kardas, Przemyslaw; Pegueroles, Josep; Schumacher, Michael

2016-02-01

The focus of this research is in the definition of programmable expert Personal Health Systems (PHS) to monitor patients affected by chronic diseases using agent oriented programming and mobile computing to represent the interactions happening amongst the components of the system. The paper also discusses issues of knowledge representation within the medical domain when dealing with temporal patterns concerning the physiological values of the patient. In the presented agent based PHS the doctors can personalize for each patient monitoring rules that can be defined in a graphical way. Furthermore, to achieve better scalability, the computations for monitoring the patients are distributed among their devices rather than being performed in a centralized server. The system is evaluated using data of 21 diabetic patients to detect temporal patterns according to a set of monitoring rules defined. The system's scalability is evaluated by comparing it with a centralized approach. The evaluation concerning the detection of temporal patterns highlights the system's ability to monitor chronic patients affected by diabetes. Regarding the scalability, the results show the fact that an approach exploiting the use of mobile computing is more scalable than a centralized approach. Therefore, more likely to satisfy the needs of next generation PHSs. PHSs are becoming an adopted technology to deal with the surge of patients affected by chronic illnesses. This paper discusses architectural choices to make an agent based PHS more scalable by using a distributed mobile computing approach. It also discusses how to model the medical knowledge in the PHS in such a way that it is modifiable at run time. The evaluation highlights the necessity of distributing the reasoning to the mobile part of the system and that modifiable rules are able to deal with the change in lifestyle of the patients affected by chronic illnesses.

Modeling the distribution of white spruce (Picea glauca) for Alaska with high accuracy: an open access role-model for predicting tree species in last remaining wilderness areas

Treesearch

Bettina Ohse; Falk Huettmann; Stefanie M. Ickert-Bond; Glenn P. Juday

2009-01-01

Most wilderness areas still lack accurate distribution information on tree species. We met this need with a predictive GIS modeling approach, using freely available digital data and computer programs to efficiently obtain high-quality species distribution maps. Here we present a digital map with the predicted distribution of white spruce (Picea glauca...

3-D parallel program for numerical calculation of gas dynamics problems with heat conductivity on distributed memory computational systems (CS)

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

Sofronov, I.D.; Voronin, B.L.; Butnev, O.I.

1997-12-31

The aim of the work performed is to develop a 3D parallel program for numerical calculation of gas dynamics problem with heat conductivity on distributed memory computational systems (CS), satisfying the condition of numerical result independence from the number of processors involved. Two basically different approaches to the structure of massive parallel computations have been developed. The first approach uses the 3D data matrix decomposition reconstructed at temporal cycle and is a development of parallelization algorithms for multiprocessor CS with shareable memory. The second approach is based on using a 3D data matrix decomposition not reconstructed during a temporal cycle.more » The program was developed on 8-processor CS MP-3 made in VNIIEF and was adapted to a massive parallel CS Meiko-2 in LLNL by joint efforts of VNIIEF and LLNL staffs. A large number of numerical experiments has been carried out with different number of processors up to 256 and the efficiency of parallelization has been evaluated in dependence on processor number and their parameters.« less

Distributed Prognostics based on Structural Model Decomposition

NASA Technical Reports Server (NTRS)

Daigle, Matthew J.; Bregon, Anibal; Roychoudhury, I.

2014-01-01

Within systems health management, prognostics focuses on predicting the remaining useful life of a system. In the model-based prognostics paradigm, physics-based models are constructed that describe the operation of a system and how it fails. Such approaches consist of an estimation phase, in which the health state of the system is first identified, and a prediction phase, in which the health state is projected forward in time to determine the end of life. Centralized solutions to these problems are often computationally expensive, do not scale well as the size of the system grows, and introduce a single point of failure. In this paper, we propose a novel distributed model-based prognostics scheme that formally describes how to decompose both the estimation and prediction problems into independent local subproblems whose solutions may be easily composed into a global solution. The decomposition of the prognostics problem is achieved through structural decomposition of the underlying models. The decomposition algorithm creates from the global system model a set of local submodels suitable for prognostics. Independent local estimation and prediction problems are formed based on these local submodels, resulting in a scalable distributed prognostics approach that allows the local subproblems to be solved in parallel, thus offering increases in computational efficiency. Using a centrifugal pump as a case study, we perform a number of simulation-based experiments to demonstrate the distributed approach, compare the performance with a centralized approach, and establish its scalability. Index Terms-model-based prognostics, distributed prognostics, structural model decomposition ABBREVIATIONS

Merging molecular mechanism and evolution: theory and computation at the interface of biophysics and evolutionary population genetics

PubMed Central

Serohijos, Adrian W.R.; Shakhnovich, Eugene I.

2014-01-01

The variation among sequences and structures in nature is both determined by physical laws and by evolutionary history. However, these two factors are traditionally investigated by disciplines with different emphasis and philosophy—molecular biophysics on one hand and evolutionary population genetics in another. Here, we review recent theoretical and computational approaches that address the critical need to integrate these two disciplines. We first articulate the elements of these integrated approaches. Then, we survey their contribution to our mechanistic understanding of molecular evolution, the polymorphisms in coding region, the distribution of fitness effects (DFE) of mutations, the observed folding stability of proteins in nature, and the distribution of protein folds in genomes. PMID:24952216

Merging molecular mechanism and evolution: theory and computation at the interface of biophysics and evolutionary population genetics.

PubMed

Serohijos, Adrian W R; Shakhnovich, Eugene I

2014-06-01

The variation among sequences and structures in nature is both determined by physical laws and by evolutionary history. However, these two factors are traditionally investigated by disciplines with different emphasis and philosophy-molecular biophysics on one hand and evolutionary population genetics in another. Here, we review recent theoretical and computational approaches that address the crucial need to integrate these two disciplines. We first articulate the elements of these approaches. Then, we survey their contribution to our mechanistic understanding of molecular evolution, the polymorphisms in coding region, the distribution of fitness effects (DFE) of mutations, the observed folding stability of proteins in nature, and the distribution of protein folds in genomes. Copyright © 2014 Elsevier Ltd. All rights reserved.

Iterative Importance Sampling Algorithms for Parameter Estimation

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

Grout, Ray W; Morzfeld, Matthias; Day, Marcus S.

In parameter estimation problems one computes a posterior distribution over uncertain parameters defined jointly by a prior distribution, a model, and noisy data. Markov chain Monte Carlo (MCMC) is often used for the numerical solution of such problems. An alternative to MCMC is importance sampling, which can exhibit near perfect scaling with the number of cores on high performance computing systems because samples are drawn independently. However, finding a suitable proposal distribution is a challenging task. Several sampling algorithms have been proposed over the past years that take an iterative approach to constructing a proposal distribution. We investigate the applicabilitymore » of such algorithms by applying them to two realistic and challenging test problems, one in subsurface flow, and one in combustion modeling. More specifically, we implement importance sampling algorithms that iterate over the mean and covariance matrix of Gaussian or multivariate t-proposal distributions. Our implementation leverages massively parallel computers, and we present strategies to initialize the iterations using 'coarse' MCMC runs or Gaussian mixture models.« less

Computing the Expected Cost of an Appointment Schedule for Statistically Identical Customers with Probabilistic Service Times

PubMed Central

Dietz, Dennis C.

2014-01-01

A cogent method is presented for computing the expected cost of an appointment schedule where customers are statistically identical, the service time distribution has known mean and variance, and customer no-shows occur with time-dependent probability. The approach is computationally efficient and can be easily implemented to evaluate candidate schedules within a schedule optimization algorithm. PMID:24605070

How to ensure sustainable interoperability in heterogeneous distributed systems through architectural approach.

PubMed

Pape-Haugaard, Louise; Frank, Lars

2011-01-01

A major obstacle in ensuring ubiquitous information is the utilization of heterogeneous systems in eHealth. The objective in this paper is to illustrate how an architecture for distributed eHealth databases can be designed without lacking the characteristic features of traditional sustainable databases. The approach is firstly to explain traditional architecture in central and homogeneous distributed database computing, followed by a possible approach to use an architectural framework to obtain sustainability across disparate systems i.e. heterogeneous databases, concluded with a discussion. It is seen that through a method of using relaxed ACID properties on a service-oriented architecture it is possible to achieve data consistency which is essential when ensuring sustainable interoperability.

The emerging role of cloud computing in molecular modelling.

PubMed

Ebejer, Jean-Paul; Fulle, Simone; Morris, Garrett M; Finn, Paul W

2013-07-01

There is a growing recognition of the importance of cloud computing for large-scale and data-intensive applications. The distinguishing features of cloud computing and their relationship to other distributed computing paradigms are described, as are the strengths and weaknesses of the approach. We review the use made to date of cloud computing for molecular modelling projects and the availability of front ends for molecular modelling applications. Although the use of cloud computing technologies for molecular modelling is still in its infancy, we demonstrate its potential by presenting several case studies. Rapid growth can be expected as more applications become available and costs continue to fall; cloud computing can make a major contribution not just in terms of the availability of on-demand computing power, but could also spur innovation in the development of novel approaches that utilize that capacity in more effective ways. Copyright © 2013 Elsevier Inc. All rights reserved.

Reusable Component Model Development Approach for Parallel and Distributed Simulation

PubMed Central

Zhu, Feng; Yao, Yiping; Chen, Huilong; Yao, Feng

2014-01-01

Model reuse is a key issue to be resolved in parallel and distributed simulation at present. However, component models built by different domain experts usually have diversiform interfaces, couple tightly, and bind with simulation platforms closely. As a result, they are difficult to be reused across different simulation platforms and applications. To address the problem, this paper first proposed a reusable component model framework. Based on this framework, then our reusable model development approach is elaborated, which contains two phases: (1) domain experts create simulation computational modules observing three principles to achieve their independence; (2) model developer encapsulates these simulation computational modules with six standard service interfaces to improve their reusability. The case study of a radar model indicates that the model developed using our approach has good reusability and it is easy to be used in different simulation platforms and applications. PMID:24729751

Bayesian generalized least squares regression with application to log Pearson type 3 regional skew estimation

NASA Astrophysics Data System (ADS)

Reis, D. S.; Stedinger, J. R.; Martins, E. S.

2005-10-01

This paper develops a Bayesian approach to analysis of a generalized least squares (GLS) regression model for regional analyses of hydrologic data. The new approach allows computation of the posterior distributions of the parameters and the model error variance using a quasi-analytic approach. Two regional skew estimation studies illustrate the value of the Bayesian GLS approach for regional statistical analysis of a shape parameter and demonstrate that regional skew models can be relatively precise with effective record lengths in excess of 60 years. With Bayesian GLS the marginal posterior distribution of the model error variance and the corresponding mean and variance of the parameters can be computed directly, thereby providing a simple but important extension of the regional GLS regression procedures popularized by Tasker and Stedinger (1989), which is sensitive to the likely values of the model error variance when it is small relative to the sampling error in the at-site estimator.

A Columnar Storage Strategy with Spatiotemporal Index for Big Climate Data

NASA Astrophysics Data System (ADS)

Hu, F.; Bowen, M. K.; Li, Z.; Schnase, J. L.; Duffy, D.; Lee, T. J.; Yang, C. P.

2015-12-01

Large collections of observational, reanalysis, and climate model output data may grow to as large as a 100 PB in the coming years, so climate dataset is in the Big Data domain, and various distributed computing frameworks have been utilized to address the challenges by big climate data analysis. However, due to the binary data format (NetCDF, HDF) with high spatial and temporal dimensions, the computing frameworks in Apache Hadoop ecosystem are not originally suited for big climate data. In order to make the computing frameworks in Hadoop ecosystem directly support big climate data, we propose a columnar storage format with spatiotemporal index to store climate data, which will support any project in the Apache Hadoop ecosystem (e.g. MapReduce, Spark, Hive, Impala). With this approach, the climate data will be transferred into binary Parquet data format, a columnar storage format, and spatial and temporal index will be built and attached into the end of Parquet files to enable real-time data query. Then such climate data in Parquet data format could be available to any computing frameworks in Hadoop ecosystem. The proposed approach is evaluated using the NASA Modern-Era Retrospective Analysis for Research and Applications (MERRA) climate reanalysis dataset. Experimental results show that this approach could efficiently overcome the gap between the big climate data and the distributed computing frameworks, and the spatiotemporal index could significantly accelerate data querying and processing.

Constructing Confidence Intervals for Reliability Coefficients Using Central and Noncentral Distributions.

ERIC Educational Resources Information Center

Weber, Deborah A.

Greater understanding and use of confidence intervals is central to changes in statistical practice (G. Cumming and S. Finch, 2001). Reliability coefficients and confidence intervals for reliability coefficients can be computed using a variety of methods. Estimating confidence intervals includes both central and noncentral distribution approaches.…

A distributed data base management system. [for Deep Space Network

NASA Technical Reports Server (NTRS)

Bryan, A. I.

1975-01-01

Major system design features of a distributed data management system for the NASA Deep Space Network (DSN) designed for continuous two-way deep space communications are described. The reasons for which the distributed data base utilizing third-generation minicomputers is selected as the optimum approach for the DSN are threefold: (1) with a distributed master data base, valid data is available in real-time to support DSN management activities at each location; (2) data base integrity is the responsibility of local management; and (3) the data acquisition/distribution and processing power of a third-generation computer enables the computer to function successfully as a data handler or as an on-line process controller. The concept of the distributed data base is discussed along with the software, data base integrity, and hardware used. The data analysis/update constraint is examined.

Issues and recommendations associated with distributed computation and data management systems for the space sciences

NASA Technical Reports Server (NTRS)

1986-01-01

The primary purpose of the report is to explore management approaches and technology developments for computation and data management systems designed to meet future needs in the space sciences.The report builds on work presented in previous reports on solar-terrestrial and planetary reports, broadening the outlook to all of the space sciences, and considering policy issues aspects related to coordiantion between data centers, missions, and ongoing research activities, because it is perceived that the rapid growth of data and the wide geographic distribution of relevant facilities will present especially troublesome problems for data archiving, distribution, and analysis.

Artificial Intelligence (AI) Center of Excellence at the University of Pennsylvania

DTIC Science & Technology

1995-07-01

that controls impact forces. Robust Location Estimation for MLR and Non-MLR Distributions (Dissertation Proposal) Gerda L. Kamberova MS-CIS-92-28...Bayesian Approach To Computer Vision Problems Gerda L. Kamberova MS-CIS-92-29 GRASP LAB 310 The object of our study is the Bayesian approach in...Estimation for MLR and Non-MLR Distributions (Dissertation) Gerda L. Kamberova MS-CIS-92-93 GRASP LAB 340 We study the problem of estimating an unknown

Using Computers in Fluids Engineering Education

NASA Technical Reports Server (NTRS)

Benson, Thomas J.

1998-01-01

Three approaches for using computers to improve basic fluids engineering education are presented. The use of computational fluid dynamics solutions to fundamental flow problems is discussed. The use of interactive, highly graphical software which operates on either a modern workstation or personal computer is highlighted. And finally, the development of 'textbooks' and teaching aids which are used and distributed on the World Wide Web is described. Arguments for and against this technology as applied to undergraduate education are also discussed.

Assessment regarding the use of the computer aided analytical models in the calculus of the general strength of a ship hull

NASA Astrophysics Data System (ADS)

Hreniuc, V.; Hreniuc, A.; Pescaru, A.

2017-08-01

Solving a general strength problem of a ship hull may be done using analytical approaches which are useful to deduce the buoyancy forces distribution, the weighting forces distribution along the hull and the geometrical characteristics of the sections. These data are used to draw the free body diagrams and to compute the stresses. The general strength problems require a large amount of calculi, therefore it is interesting how a computer may be used to solve such problems. Using computer programming an engineer may conceive software instruments based on analytical approaches. However, before developing the computer code the research topic must be thoroughly analysed, in this way being reached a meta-level of understanding of the problem. The following stage is to conceive an appropriate development strategy of the original software instruments useful for the rapid development of computer aided analytical models. The geometrical characteristics of the sections may be computed using a bool algebra that operates with ‘simple’ geometrical shapes. By ‘simple’ we mean that for the according shapes we have direct calculus relations. In the set of ‘simple’ shapes we also have geometrical entities bounded by curves approximated as spline functions or as polygons. To conclude, computer programming offers the necessary support to solve general strength ship hull problems using analytical methods.

Spatial distribution of nuclei in progressive nucleation: Modeling and application

NASA Astrophysics Data System (ADS)

Tomellini, Massimo

2018-04-01

Phase transformations ruled by non-simultaneous nucleation and growth do not lead to random distribution of nuclei. Since nucleation is only allowed in the untransformed portion of space, positions of nuclei are correlated. In this article an analytical approach is presented for computing pair-correlation function of nuclei in progressive nucleation. This quantity is further employed for characterizing the spatial distribution of nuclei through the nearest neighbor distribution function. The modeling is developed for nucleation in 2D space with power growth law and it is applied to describe electrochemical nucleation where correlation effects are significant. Comparison with both computer simulations and experimental data lends support to the model which gives insights into the transition from Poissonian to correlated nearest neighbor probability density.

Visualization of Electrical Field of Electrode Using Voltage-Controlled Fluorescence Release

PubMed Central

Jia, Wenyan; Wu, Jiamin; Gao, Di; Wang, Hao; Sun, Mingui

2016-01-01

In this study we propose an approach to directly visualize electrical current distribution at the electrode-electrolyte interface of a biopotential electrode. High-speed fluorescent microscopic images are acquired when an electric potential is applied across the interface to trigger the release of fluorescent material from the surface of the electrode. These images are analyzed computationally to obtain the distribution of the electric field from the fluorescent intensity of each pixel. Our approach allows direct observation of microscopic electrical current distribution around the electrode. Experiments are conducted to validate the feasibility of the fluorescent imaging method. PMID:27253615

Evaluating the performance of distributed approaches for modal identification

NASA Astrophysics Data System (ADS)

Krishnan, Sriram S.; Sun, Zhuoxiong; Irfanoglu, Ayhan; Dyke, Shirley J.; Yan, Guirong

2011-04-01

In this paper two modal identification approaches appropriate for use in a distributed computing environment are applied to a full-scale, complex structure. The natural excitation technique (NExT) is used in conjunction with a condensed eigensystem realization algorithm (ERA), and the frequency domain decomposition with peak-picking (FDD-PP) are both applied to sensor data acquired from a 57.5-ft, 10 bay highway sign truss structure. Monte-Carlo simulations are performed on a numerical example to investigate the statistical properties and sensitivity to noise of the two distributed algorithms. Experimental results are provided and discussed.

HAlign-II: efficient ultra-large multiple sequence alignment and phylogenetic tree reconstruction with distributed and parallel computing.

PubMed

Wan, Shixiang; Zou, Quan

2017-01-01

Multiple sequence alignment (MSA) plays a key role in biological sequence analyses, especially in phylogenetic tree construction. Extreme increase in next-generation sequencing results in shortage of efficient ultra-large biological sequence alignment approaches for coping with different sequence types. Distributed and parallel computing represents a crucial technique for accelerating ultra-large (e.g. files more than 1 GB) sequence analyses. Based on HAlign and Spark distributed computing system, we implement a highly cost-efficient and time-efficient HAlign-II tool to address ultra-large multiple biological sequence alignment and phylogenetic tree construction. The experiments in the DNA and protein large scale data sets, which are more than 1GB files, showed that HAlign II could save time and space. It outperformed the current software tools. HAlign-II can efficiently carry out MSA and construct phylogenetic trees with ultra-large numbers of biological sequences. HAlign-II shows extremely high memory efficiency and scales well with increases in computing resource. THAlign-II provides a user-friendly web server based on our distributed computing infrastructure. HAlign-II with open-source codes and datasets was established at http://lab.malab.cn/soft/halign.

Common data buffer

NASA Technical Reports Server (NTRS)

Byrne, F.

1981-01-01

Time-shared interface speeds data processing in distributed computer network. Two-level high-speed scanning approach routes information to buffer, portion of which is reserved for series of "first-in, first-out" memory stacks. Buffer address structure and memory are protected from noise or failed components by error correcting code. System is applicable to any computer or processing language.

Factors Affecting University Students' Intention to Use Cloud Computing in Jordan

ERIC Educational Resources Information Center

Rababah, Khalid Ali; Khasawneh, Mohammad; Nassar, Bilal

2017-01-01

The aim of this study is to examine the factors affecting students' intention to use cloud computing in the Jordanian universities. To achieve this purpose, a quantitative research approach which is a survey-based was deployed. Around 400 questionnaires were distributed randomly to Information Technology (IT) students at four universities in…

Knowledge Cultures and the Shaping of Work-Based Learning: The Case of Computer Engineering

ERIC Educational Resources Information Center

Nerland, Monika

2008-01-01

This paper examines how the knowledge culture of computer engineering--that is, the ways in which knowledge is produced, distributed, accumulated and collectively approached within this profession--serve to construct work-based learning in specific ways. Typically, the epistemic infrastructures take the form of information structures with a global…

Spectrally resolving and scattering-compensated x-ray luminescence/fluorescence computed tomography

PubMed Central

Cong, Wenxiang; Shen, Haiou; Wang, Ge

2011-01-01

The nanophosphors, or other similar materials, emit near-infrared (NIR) light upon x-ray excitation. They were designed as optical probes for in vivo visualization and analysis of molecular and cellular targets, pathways, and responses. Based on the previous work on x-ray fluorescence computed tomography (XFCT) and x-ray luminescence computed tomography (XLCT), here we propose a spectrally-resolving and scattering-compensated x-ray luminescence/fluorescence computed tomography (SXLCT or SXFCT) approach to quantify a spatial distribution of nanophosphors (other similar materials or chemical elements) within a biological object. In this paper, the x-ray scattering is taken into account in the reconstruction algorithm. The NIR scattering is described in the diffusion approximation model. Then, x-ray excitations are applied with different spectra, and NIR signals are measured in a spectrally resolving fashion. Finally, a linear relationship is established between the nanophosphor distribution and measured NIR data using the finite element method and inverted using the compressive sensing technique. The numerical simulation results demonstrate the feasibility and merits of the proposed approach. PMID:21721815

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

PubMed

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

2017-04-01

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

Dynamic Load-Balancing for Distributed Heterogeneous Computing of Parallel CFD Problems

NASA Technical Reports Server (NTRS)

Ecer, A.; Chien, Y. P.; Boenisch, T.; Akay, H. U.

2000-01-01

The developed methodology is aimed at improving the efficiency of executing block-structured algorithms on parallel, distributed, heterogeneous computers. The basic approach of these algorithms is to divide the flow domain into many sub- domains called blocks, and solve the governing equations over these blocks. Dynamic load balancing problem is defined as the efficient distribution of the blocks among the available processors over a period of several hours of computations. In environments with computers of different architecture, operating systems, CPU speed, memory size, load, and network speed, balancing the loads and managing the communication between processors becomes crucial. Load balancing software tools for mutually dependent parallel processes have been created to efficiently utilize an advanced computation environment and algorithms. These tools are dynamic in nature because of the chances in the computer environment during execution time. More recently, these tools were extended to a second operating system: NT. In this paper, the problems associated with this application will be discussed. Also, the developed algorithms were combined with the load sharing capability of LSF to efficiently utilize workstation clusters for parallel computing. Finally, results will be presented on running a NASA based code ADPAC to demonstrate the developed tools for dynamic load balancing.

Distribution-Agnostic Stochastic Optimal Power Flow for Distribution Grids: Preprint

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

Baker, Kyri; Dall'Anese, Emiliano; Summers, Tyler

2016-09-01

This paper outlines a data-driven, distributionally robust approach to solve chance-constrained AC optimal power flow problems in distribution networks. Uncertain forecasts for loads and power generated by photovoltaic (PV) systems are considered, with the goal of minimizing PV curtailment while meeting power flow and voltage regulation constraints. A data- driven approach is utilized to develop a distributionally robust conservative convex approximation of the chance-constraints; particularly, the mean and covariance matrix of the forecast errors are updated online, and leveraged to enforce voltage regulation with predetermined probability via Chebyshev-based bounds. By combining an accurate linear approximation of the AC power flowmore » equations with the distributionally robust chance constraint reformulation, the resulting optimization problem becomes convex and computationally tractable.« less

NavP: Structured and Multithreaded Distributed Parallel Programming

NASA Technical Reports Server (NTRS)

Pan, Lei

2007-01-01

We present Navigational Programming (NavP) -- a distributed parallel programming methodology based on the principles of migrating computations and multithreading. The four major steps of NavP are: (1) Distribute the data using the data communication pattern in a given algorithm; (2) Insert navigational commands for the computation to migrate and follow large-sized distributed data; (3) Cut the sequential migrating thread and construct a mobile pipeline; and (4) Loop back for refinement. NavP is significantly different from the current prevailing Message Passing (MP) approach. The advantages of NavP include: (1) NavP is structured distributed programming and it does not change the code structure of an original algorithm. This is in sharp contrast to MP as MP implementations in general do not resemble the original sequential code; (2) NavP implementations are always competitive with the best MPI implementations in terms of performance. Approaches such as DSM or HPF have failed to deliver satisfying performance as of today in contrast, even if they are relatively easy to use compared to MP; (3) NavP provides incremental parallelization, which is beyond the reach of MP; and (4) NavP is a unifying approach that allows us to exploit both fine- (multithreading on shared memory) and coarse- (pipelined tasks on distributed memory) grained parallelism. This is in contrast to the currently popular hybrid use of MP+OpenMP, which is known to be complex to use. We present experimental results that demonstrate the effectiveness of NavP.

SU-E-T-422: Fast Analytical Beamlet Optimization for Volumetric Intensity-Modulated Arc Therapy

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

Chan, Kenny S K; Lee, Louis K Y; Xing, L

2015-06-15

Purpose: To implement a fast optimization algorithm on CPU/GPU heterogeneous computing platform and to obtain an optimal fluence for a given target dose distribution from the pre-calculated beamlets in an analytical approach. Methods: The 2D target dose distribution was modeled as an n-dimensional vector and estimated by a linear combination of independent basis vectors. The basis set was composed of the pre-calculated beamlet dose distributions at every 6 degrees of gantry angle and the cost function was set as the magnitude square of the vector difference between the target and the estimated dose distribution. The optimal weighting of the basis,more » which corresponds to the optimal fluence, was obtained analytically by the least square method. Those basis vectors with a positive weighting were selected for entering into the next level of optimization. Totally, 7 levels of optimization were implemented in the study.Ten head-and-neck and ten prostate carcinoma cases were selected for the study and mapped to a round water phantom with a diameter of 20cm. The Matlab computation was performed in a heterogeneous programming environment with Intel i7 CPU and NVIDIA Geforce 840M GPU. Results: In all selected cases, the estimated dose distribution was in a good agreement with the given target dose distribution and their correlation coefficients were found to be in the range of 0.9992 to 0.9997. Their root-mean-square error was monotonically decreasing and converging after 7 cycles of optimization. The computation took only about 10 seconds and the optimal fluence maps at each gantry angle throughout an arc were quickly obtained. Conclusion: An analytical approach is derived for finding the optimal fluence for a given target dose distribution and a fast optimization algorithm implemented on the CPU/GPU heterogeneous computing environment greatly reduces the optimization time.« less

A global distributed storage architecture

NASA Technical Reports Server (NTRS)

Lionikis, Nemo M.; Shields, Michael F.

1996-01-01

NSA architects and planners have come to realize that to gain the maximum benefit from, and keep pace with, emerging technologies, we must move to a radically different computing architecture. The compute complex of the future will be a distributed heterogeneous environment, where, to a much greater extent than today, network-based services are invoked to obtain resources. Among the rewards of implementing the services-based view are that it insulates the user from much of the complexity of our multi-platform, networked, computer and storage environment and hides its diverse underlying implementation details. In this paper, we will describe one of the fundamental services being built in our envisioned infrastructure; a global, distributed archive with near-real-time access characteristics. Our approach for adapting mass storage services to this infrastructure will become clear as the service is discussed.

Momentum Distribution as a Fingerprint of Quantum Delocalization in Enzymatic Reactions: Open-Chain Path-Integral Simulations of Model Systems and the Hydride Transfer in Dihydrofolate Reductase.

PubMed

Engel, Hamutal; Doron, Dvir; Kohen, Amnon; Major, Dan Thomas

2012-04-10

The inclusion of nuclear quantum effects such as zero-point energy and tunneling is of great importance in studying condensed phase chemical reactions involving the transfer of protons, hydrogen atoms, and hydride ions. In the current work, we derive an efficient quantum simulation approach for the computation of the momentum distribution in condensed phase chemical reactions. The method is based on a quantum-classical approach wherein quantum and classical simulations are performed separately. The classical simulations use standard sampling techniques, whereas the quantum simulations employ an open polymer chain path integral formulation which is computed using an efficient Monte Carlo staging algorithm. The approach is validated by applying it to a one-dimensional harmonic oscillator and symmetric double-well potential. Subsequently, the method is applied to the dihydrofolate reductase (DHFR) catalyzed reduction of 7,8-dihydrofolate by nicotinamide adenine dinucleotide phosphate hydride (NADPH) to yield S-5,6,7,8-tetrahydrofolate and NADP(+). The key chemical step in the catalytic cycle of DHFR involves a stereospecific hydride transfer. In order to estimate the amount of quantum delocalization, we compute the position and momentum distributions for the transferring hydride ion in the reactant state (RS) and transition state (TS) using a recently developed hybrid semiempirical quantum mechanics-molecular mechanics potential energy surface. Additionally, we examine the effect of compression of the donor-acceptor distance (DAD) in the TS on the momentum distribution. The present results suggest differential quantum delocalization in the RS and TS, as well as reduced tunneling upon DAD compression.

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

Baker, Kyri; Dall'Anese, Emiliano; Summers, Tyler

This paper outlines a data-driven, distributionally robust approach to solve chance-constrained AC optimal power flow problems in distribution networks. Uncertain forecasts for loads and power generated by photovoltaic (PV) systems are considered, with the goal of minimizing PV curtailment while meeting power flow and voltage regulation constraints. A data- driven approach is utilized to develop a distributionally robust conservative convex approximation of the chance-constraints; particularly, the mean and covariance matrix of the forecast errors are updated online, and leveraged to enforce voltage regulation with predetermined probability via Chebyshev-based bounds. By combining an accurate linear approximation of the AC power flowmore » equations with the distributionally robust chance constraint reformulation, the resulting optimization problem becomes convex and computationally tractable.« less

TESS

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

Dmitriy Morozov, Tom Peterka

2014-07-29

Computing a Voronoi or Delaunay tessellation from a set of points is a core part of the analysis of many simulated and measured datasets. As the scale of simulations and observations surpasses billions of particles, a distributed-memory scalable parallel algorithm is the only feasible approach. The primary contribution of this software is a distributed-memory parallel Delaunay and Voronoi tessellation algorithm based on existing serial computational geometry libraries that automatically determines which neighbor points need to be exchanged among the subdomains of a spatial decomposition. Other contributions include the addition of periodic and wall boundary conditions.

Distribution of shortest cycle lengths in random networks

NASA Astrophysics Data System (ADS)

Bonneau, Haggai; Hassid, Aviv; Biham, Ofer; Kühn, Reimer; Katzav, Eytan

2017-12-01

We present analytical results for the distribution of shortest cycle lengths (DSCL) in random networks. The approach is based on the relation between the DSCL and the distribution of shortest path lengths (DSPL). We apply this approach to configuration model networks, for which analytical results for the DSPL were obtained before. We first calculate the fraction of nodes in the network which reside on at least one cycle. Conditioning on being on a cycle, we provide the DSCL over ensembles of configuration model networks with degree distributions which follow a Poisson distribution (Erdős-Rényi network), degenerate distribution (random regular graph), and a power-law distribution (scale-free network). The mean and variance of the DSCL are calculated. The analytical results are found to be in very good agreement with the results of computer simulations.

Two-dimensional analysis of coupled heat and moisture transport in masonry structures

NASA Astrophysics Data System (ADS)

Krejčí, Tomáš

2016-06-01

Reconstruction and maintenance of historical buildings and bridges require good knowledge of temperature and moisture distribution. Sharp changes in the temperature and moisture can lead to damage. This paper describes analysis of coupled heat and moisture transfer in masonry based on two-level approach. Macro-scale level describes the whole structure while meso-scale level takes into account detailed composition of the masonry. The two-level approach is very computationally demanding and it was implemented in parallel. The two-level approach was used in analysis of temperature and moisture distribution in Charles bridge in Prague, Czech Republic.

Metabolic Flux Analysis in Isotope Labeling Experiments Using the Adjoint Approach.

PubMed

Mottelet, Stephane; Gaullier, Gil; Sadaka, Georges

2017-01-01

Comprehension of metabolic pathways is considerably enhanced by metabolic flux analysis (MFA-ILE) in isotope labeling experiments. The balance equations are given by hundreds of algebraic (stationary MFA) or ordinary differential equations (nonstationary MFA), and reducing the number of operations is therefore a crucial part of reducing the computation cost. The main bottleneck for deterministic algorithms is the computation of derivatives, particularly for nonstationary MFA. In this article, we explain how the overall identification process may be speeded up by using the adjoint approach to compute the gradient of the residual sum of squares. The proposed approach shows significant improvements in terms of complexity and computation time when it is compared with the usual (direct) approach. Numerical results are obtained for the central metabolic pathways of Escherichia coli and are validated against reference software in the stationary case. The methods and algorithms described in this paper are included in the sysmetab software package distributed under an Open Source license at http://forge.scilab.org/index.php/p/sysmetab/.

Alternative Smoothing and Scaling Strategies for Weighted Composite Scores

ERIC Educational Resources Information Center

Moses, Tim

2014-01-01

In this study, smoothing and scaling approaches are compared for estimating subscore-to-composite scaling results involving composites computed as rounded and weighted combinations of subscores. The considered smoothing and scaling approaches included those based on raw data, on smoothing the bivariate distribution of the subscores, on smoothing…

A Scalable Distributed Approach to Mobile Robot Vision

NASA Technical Reports Server (NTRS)

Kuipers, Benjamin; Browning, Robert L.; Gribble, William S.

1997-01-01

This paper documents our progress during the first year of work on our original proposal entitled 'A Scalable Distributed Approach to Mobile Robot Vision'. We are pursuing a strategy for real-time visual identification and tracking of complex objects which does not rely on specialized image-processing hardware. In this system perceptual schemas represent objects as a graph of primitive features. Distributed software agents identify and track these features, using variable-geometry image subwindows of limited size. Active control of imaging parameters and selective processing makes simultaneous real-time tracking of many primitive features tractable. Perceptual schemas operate independently from the tracking of primitive features, so that real-time tracking of a set of image features is not hurt by latency in recognition of the object that those features make up. The architecture allows semantically significant features to be tracked with limited expenditure of computational resources, and allows the visual computation to be distributed across a network of processors. Early experiments are described which demonstrate the usefulness of this formulation, followed by a brief overview of our more recent progress (after the first year).

MapReduce SVM Game

DOE PAGES

Vineyard, Craig M.; Verzi, Stephen J.; James, Conrad D.; ...

2015-08-10

Despite technological advances making computing devices faster, smaller, and more prevalent in today's age, data generation and collection has outpaced data processing capabilities. Simply having more compute platforms does not provide a means of addressing challenging problems in the big data era. Rather, alternative processing approaches are needed and the application of machine learning to big data is hugely important. The MapReduce programming paradigm is an alternative to conventional supercomputing approaches, and requires less stringent data passing constrained problem decompositions. Rather, MapReduce relies upon defining a means of partitioning the desired problem so that subsets may be computed independently andmore » recom- bined to yield the net desired result. However, not all machine learning algorithms are amenable to such an approach. Game-theoretic algorithms are often innately distributed, consisting of local interactions between players without requiring a central authority and are iterative by nature rather than requiring extensive retraining. Effectively, a game-theoretic approach to machine learning is well suited for the MapReduce paradigm and provides a novel, alternative new perspective to addressing the big data problem. In this paper we present a variant of our Support Vector Machine (SVM) Game classifier which may be used in a distributed manner, and show an illustrative example of applying this algorithm.« less

MapReduce SVM Game

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

Vineyard, Craig M.; Verzi, Stephen J.; James, Conrad D.

Despite technological advances making computing devices faster, smaller, and more prevalent in today's age, data generation and collection has outpaced data processing capabilities. Simply having more compute platforms does not provide a means of addressing challenging problems in the big data era. Rather, alternative processing approaches are needed and the application of machine learning to big data is hugely important. The MapReduce programming paradigm is an alternative to conventional supercomputing approaches, and requires less stringent data passing constrained problem decompositions. Rather, MapReduce relies upon defining a means of partitioning the desired problem so that subsets may be computed independently andmore » recom- bined to yield the net desired result. However, not all machine learning algorithms are amenable to such an approach. Game-theoretic algorithms are often innately distributed, consisting of local interactions between players without requiring a central authority and are iterative by nature rather than requiring extensive retraining. Effectively, a game-theoretic approach to machine learning is well suited for the MapReduce paradigm and provides a novel, alternative new perspective to addressing the big data problem. In this paper we present a variant of our Support Vector Machine (SVM) Game classifier which may be used in a distributed manner, and show an illustrative example of applying this algorithm.« less

Adaptive Load-Balancing Algorithms Using Symmetric Broadcast Networks

NASA Technical Reports Server (NTRS)

Das, Sajal K.; Biswas, Rupak; Chancellor, Marisa K. (Technical Monitor)

1997-01-01

In a distributed-computing environment, it is important to ensure that the processor workloads are adequately balanced. Among numerous load-balancing algorithms, a unique approach due to Dam and Prasad defines a symmetric broadcast network (SBN) that provides a robust communication pattern among the processors in a topology-independent manner. In this paper, we propose and analyze three novel SBN-based load-balancing algorithms, and implement them on an SP2. A thorough experimental study with Poisson-distributed synthetic loads demonstrates that these algorithms are very effective in balancing system load while minimizing processor idle time. They also compare favorably with several other existing load-balancing techniques. Additional experiments performed with real data demonstrate that the SBN approach is effective in adaptive computational science and engineering applications where dynamic load balancing is extremely crucial.

An Intrinsic Algorithm for Parallel Poisson Disk Sampling on Arbitrary Surfaces.

PubMed

Ying, Xiang; Xin, Shi-Qing; Sun, Qian; He, Ying

2013-03-08

Poisson disk sampling plays an important role in a variety of visual computing, due to its useful statistical property in distribution and the absence of aliasing artifacts. While many effective techniques have been proposed to generate Poisson disk distribution in Euclidean space, relatively few work has been reported to the surface counterpart. This paper presents an intrinsic algorithm for parallel Poisson disk sampling on arbitrary surfaces. We propose a new technique for parallelizing the dart throwing. Rather than the conventional approaches that explicitly partition the spatial domain to generate the samples in parallel, our approach assigns each sample candidate a random and unique priority that is unbiased with regard to the distribution. Hence, multiple threads can process the candidates simultaneously and resolve conflicts by checking the given priority values. It is worth noting that our algorithm is accurate as the generated Poisson disks are uniformly and randomly distributed without bias. Our method is intrinsic in that all the computations are based on the intrinsic metric and are independent of the embedding space. This intrinsic feature allows us to generate Poisson disk distributions on arbitrary surfaces. Furthermore, by manipulating the spatially varying density function, we can obtain adaptive sampling easily.

CAPTIONALS: A computer aided testing environment for the verification and validation of communication protocols

NASA Technical Reports Server (NTRS)

Feng, C.; Sun, X.; Shen, Y. N.; Lombardi, Fabrizio

1992-01-01

This paper covers the verification and protocol validation for distributed computer and communication systems using a computer aided testing approach. Validation and verification make up the so-called process of conformance testing. Protocol applications which pass conformance testing are then checked to see whether they can operate together. This is referred to as interoperability testing. A new comprehensive approach to protocol testing is presented which address: (1) modeling for inter-layer representation for compatibility between conformance and interoperability testing; (2) computational improvement to current testing methods by using the proposed model inclusive of formulation of new qualitative and quantitative measures and time-dependent behavior; (3) analysis and evaluation of protocol behavior for interactive testing without extensive simulation.

Detection of abnormal item based on time intervals for recommender systems.

PubMed

Gao, Min; Yuan, Quan; Ling, Bin; Xiong, Qingyu

2014-01-01

With the rapid development of e-business, personalized recommendation has become core competence for enterprises to gain profits and improve customer satisfaction. Although collaborative filtering is the most successful approach for building a recommender system, it suffers from "shilling" attacks. In recent years, the research on shilling attacks has been greatly improved. However, the approaches suffer from serious problem in attack model dependency and high computational cost. To solve the problem, an approach for the detection of abnormal item is proposed in this paper. In the paper, two common features of all attack models are analyzed at first. A revised bottom-up discretized approach is then proposed based on time intervals and the features for the detection. The distributions of ratings in different time intervals are compared to detect anomaly based on the calculation of chi square distribution (χ(2)). We evaluated our approach on four types of items which are defined according to the life cycles of these items. The experimental results show that the proposed approach achieves a high detection rate with low computational cost when the number of attack profiles is more than 15. It improves the efficiency in shilling attacks detection by narrowing down the suspicious users.

Computation of Steady-State Probability Distributions in Stochastic Models of Cellular Networks

PubMed Central

Hallen, Mark; Li, Bochong; Tanouchi, Yu; Tan, Cheemeng; West, Mike; You, Lingchong

2011-01-01

Cellular processes are “noisy”. In each cell, concentrations of molecules are subject to random fluctuations due to the small numbers of these molecules and to environmental perturbations. While noise varies with time, it is often measured at steady state, for example by flow cytometry. When interrogating aspects of a cellular network by such steady-state measurements of network components, a key need is to develop efficient methods to simulate and compute these distributions. We describe innovations in stochastic modeling coupled with approaches to this computational challenge: first, an approach to modeling intrinsic noise via solution of the chemical master equation, and second, a convolution technique to account for contributions of extrinsic noise. We show how these techniques can be combined in a streamlined procedure for evaluation of different sources of variability in a biochemical network. Evaluation and illustrations are given in analysis of two well-characterized synthetic gene circuits, as well as a signaling network underlying the mammalian cell cycle entry. PMID:22022252

Trivariate characteristics of intensity fluctuations for heavily saturated optical systems.

PubMed

Das, Biman; Drake, Eli; Jack, John

2004-02-01

Trivariate cumulants of intensity fluctuations have been computed starting from a trivariate intensity probability distribution function, which rests on the assumption that the variation of intensity has a maximum entropy distribution with the constraint that the total intensity is constant. The assumption holds for optical systems such as a thin, long, mirrorless gas laser amplifier where under heavy gain saturation the total output approaches a constant intensity, although intensity of any mode fluctuates rapidly over the average intensity. The relations between trivariate cumulants and central moments that were needed for the computation of trivariate cumulants were derived. The results of the computation show that the cumulants have characteristic values that depend on the number of interacting modes in the system. The cumulant values approach zero when the number of modes is infinite, as expected. The results will be useful for comparison with the experimental triavariate statistics of heavily saturated optical systems such as the output from a thin, long, bidirectional gas laser amplifier.

Validation of the thermal challenge problem using Bayesian Belief Networks.

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

McFarland, John; Swiler, Laura Painton

The thermal challenge problem has been developed at Sandia National Laboratories as a testbed for demonstrating various types of validation approaches and prediction methods. This report discusses one particular methodology to assess the validity of a computational model given experimental data. This methodology is based on Bayesian Belief Networks (BBNs) and can incorporate uncertainty in experimental measurements, in physical quantities, and model uncertainties. The approach uses the prior and posterior distributions of model output to compute a validation metric based on Bayesian hypothesis testing (a Bayes' factor). This report discusses various aspects of the BBN, specifically in the context ofmore » the thermal challenge problem. A BBN is developed for a given set of experimental data in a particular experimental configuration. The development of the BBN and the method for ''solving'' the BBN to develop the posterior distribution of model output through Monte Carlo Markov Chain sampling is discussed in detail. The use of the BBN to compute a Bayes' factor is demonstrated.« less

An efficient algorithm for accurate computation of the Dirichlet-multinomial log-likelihood function.

PubMed

Yu, Peng; Shaw, Chad A

2014-06-01

The Dirichlet-multinomial (DMN) distribution is a fundamental model for multicategory count data with overdispersion. This distribution has many uses in bioinformatics including applications to metagenomics data, transctriptomics and alternative splicing. The DMN distribution reduces to the multinomial distribution when the overdispersion parameter ψ is 0. Unfortunately, numerical computation of the DMN log-likelihood function by conventional methods results in instability in the neighborhood of [Formula: see text]. An alternative formulation circumvents this instability, but it leads to long runtimes that make it impractical for large count data common in bioinformatics. We have developed a new method for computation of the DMN log-likelihood to solve the instability problem without incurring long runtimes. The new approach is composed of a novel formula and an algorithm to extend its applicability. Our numerical experiments show that this new method both improves the accuracy of log-likelihood evaluation and the runtime by several orders of magnitude, especially in high-count data situations that are common in deep sequencing data. Using real metagenomic data, our method achieves manyfold runtime improvement. Our method increases the feasibility of using the DMN distribution to model many high-throughput problems in bioinformatics. We have included in our work an R package giving access to this method and a vingette applying this approach to metagenomic data. © The Author 2014. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Rainbow Fourier Transform

NASA Technical Reports Server (NTRS)

Alexandrov, Mikhail D.; Cairns, Brian; Mishchenko, Michael I.

2012-01-01

We present a novel technique for remote sensing of cloud droplet size distributions. Polarized reflectances in the scattering angle range between 135deg and 165deg exhibit a sharply defined rainbow structure, the shape of which is determined mostly by single scattering properties of cloud particles, and therefore, can be modeled using the Mie theory. Fitting the observed rainbow with such a model (computed for a parameterized family of particle size distributions) has been used for cloud droplet size retrievals. We discovered that the relationship between the rainbow structures and the corresponding particle size distributions is deeper than it had been commonly understood. In fact, the Mie theory-derived polarized reflectance as a function of reduced scattering angle (in the rainbow angular range) and the (monodisperse) particle radius appears to be a proxy to a kernel of an integral transform (similar to the sine Fourier transform on the positive semi-axis). This approach, called the rainbow Fourier transform (RFT), allows us to accurately retrieve the shape of the droplet size distribution by the application of the corresponding inverse transform to the observed polarized rainbow. While the basis functions of the proxy-transform are not exactly orthogonal in the finite angular range, this procedure needs to be complemented by a simple regression technique, which removes the retrieval artifacts. This non-parametric approach does not require any a priori knowledge of the droplet size distribution functional shape and is computationally fast (no look-up tables, no fitting, computations are the same as for the forward modeling).

Precision Parameter Estimation and Machine Learning

NASA Astrophysics Data System (ADS)

Wandelt, Benjamin D.

2008-12-01

I discuss the strategy of ``Acceleration by Parallel Precomputation and Learning'' (AP-PLe) that can vastly accelerate parameter estimation in high-dimensional parameter spaces and costly likelihood functions, using trivially parallel computing to speed up sequential exploration of parameter space. This strategy combines the power of distributed computing with machine learning and Markov-Chain Monte Carlo techniques efficiently to explore a likelihood function, posterior distribution or χ2-surface. This strategy is particularly successful in cases where computing the likelihood is costly and the number of parameters is moderate or large. We apply this technique to two central problems in cosmology: the solution of the cosmological parameter estimation problem with sufficient accuracy for the Planck data using PICo; and the detailed calculation of cosmological helium and hydrogen recombination with RICO. Since the APPLe approach is designed to be able to use massively parallel resources to speed up problems that are inherently serial, we can bring the power of distributed computing to bear on parameter estimation problems. We have demonstrated this with the CosmologyatHome project.

Parallel Computation of Unsteady Flows on a Network of Workstations

NASA Technical Reports Server (NTRS)

1997-01-01

Parallel computation of unsteady flows requires significant computational resources. The utilization of a network of workstations seems an efficient solution to the problem where large problems can be treated at a reasonable cost. This approach requires the solution of several problems: 1) the partitioning and distribution of the problem over a network of workstation, 2) efficient communication tools, 3) managing the system efficiently for a given problem. Of course, there is the question of the efficiency of any given numerical algorithm to such a computing system. NPARC code was chosen as a sample for the application. For the explicit version of the NPARC code both two- and three-dimensional problems were studied. Again both steady and unsteady problems were investigated. The issues studied as a part of the research program were: 1) how to distribute the data between the workstations, 2) how to compute and how to communicate at each node efficiently, 3) how to balance the load distribution. In the following, a summary of these activities is presented. Details of the work have been presented and published as referenced.

Towards a cyber-physical era: soft computing framework based multi-sensor array for water quality monitoring

NASA Astrophysics Data System (ADS)

Bhardwaj, Jyotirmoy; Gupta, Karunesh K.; Gupta, Rajiv

2018-02-01

New concepts and techniques are replacing traditional methods of water quality parameter measurement systems. This paper introduces a cyber-physical system (CPS) approach for water quality assessment in a distribution network. Cyber-physical systems with embedded sensors, processors and actuators can be designed to sense and interact with the water environment. The proposed CPS is comprised of sensing framework integrated with five different water quality parameter sensor nodes and soft computing framework for computational modelling. Soft computing framework utilizes the applications of Python for user interface and fuzzy sciences for decision making. Introduction of multiple sensors in a water distribution network generates a huge number of data matrices, which are sometimes highly complex, difficult to understand and convoluted for effective decision making. Therefore, the proposed system framework also intends to simplify the complexity of obtained sensor data matrices and to support decision making for water engineers through a soft computing framework. The target of this proposed research is to provide a simple and efficient method to identify and detect presence of contamination in a water distribution network using applications of CPS.

A Collaborative Neurodynamic Approach to Multiple-Objective Distributed Optimization.

PubMed

Yang, Shaofu; Liu, Qingshan; Wang, Jun

2018-04-01

This paper is concerned with multiple-objective distributed optimization. Based on objective weighting and decision space decomposition, a collaborative neurodynamic approach to multiobjective distributed optimization is presented. In the approach, a system of collaborative neural networks is developed to search for Pareto optimal solutions, where each neural network is associated with one objective function and given constraints. Sufficient conditions are derived for ascertaining the convergence to a Pareto optimal solution of the collaborative neurodynamic system. In addition, it is proved that each connected subsystem can generate a Pareto optimal solution when the communication topology is disconnected. Then, a switching-topology-based method is proposed to compute multiple Pareto optimal solutions for discretized approximation of Pareto front. Finally, simulation results are discussed to substantiate the performance of the collaborative neurodynamic approach. A portfolio selection application is also given.

Nuclear Ensemble Approach with Importance Sampling.

PubMed

Kossoski, Fábris; Barbatti, Mario

2018-06-12

We show that the importance sampling technique can effectively augment the range of problems where the nuclear ensemble approach can be applied. A sampling probability distribution function initially determines the collection of initial conditions for which calculations are performed, as usual. Then, results for a distinct target distribution are computed by introducing compensating importance sampling weights for each sampled point. This mapping between the two probability distributions can be performed whenever they are both explicitly constructed. Perhaps most notably, this procedure allows for the computation of temperature dependent observables. As a test case, we investigated the UV absorption spectra of phenol, which has been shown to have a marked temperature dependence. Application of the proposed technique to a range that covers 500 K provides results that converge to those obtained with conventional sampling. We further show that an overall improved rate of convergence is obtained when sampling is performed at intermediate temperatures. The comparison between calculated and the available measured cross sections is very satisfactory, as the main features of the spectra are correctly reproduced. As a second test case, one of Tully's classical models was revisited, and we show that the computation of dynamical observables also profits from the importance sampling technique. In summary, the strategy developed here can be employed to assess the role of temperature for any property calculated within the nuclear ensemble method, with the same computational cost as doing so for a single temperature.

Examining Stakeholder Perceptions of Accessibility and Utilization of Computer and Internet Technology in the Selinsgrove Area School District

ERIC Educational Resources Information Center

Krause, Lorinda M.

2014-01-01

This study utilized a mixed methods approach to examine the issue of how parents, students, and teachers (stakeholders) perceive accessibility and the utilization of computer and Internet technology within the Selinsgrove, Pennsylvania Area School District. Quantitative data was collected through the use of questionnaires distributed to the…

Computer-Based Assessment of Collaborative Problem Solving: Exploring the Feasibility of Human-to-Agent Approach

ERIC Educational Resources Information Center

Rosen, Yigal

2015-01-01

How can activities in which collaborative skills of an individual are measured be standardized? In order to understand how students perform on collaborative problem solving (CPS) computer-based assessment, it is necessary to examine empirically the multi-faceted performance that may be distributed across collaboration methods. The aim of this…

An efficient distribution method for nonlinear transport problems in stochastic porous media

NASA Astrophysics Data System (ADS)

Ibrahima, F.; Tchelepi, H.; Meyer, D. W.

2015-12-01

Because geophysical data are inexorably sparse and incomplete, stochastic treatments of simulated responses are convenient to explore possible scenarios and assess risks in subsurface problems. In particular, understanding how uncertainties propagate in porous media with nonlinear two-phase flow is essential, yet challenging, in reservoir simulation and hydrology. We give a computationally efficient and numerically accurate method to estimate the one-point probability density (PDF) and cumulative distribution functions (CDF) of the water saturation for the stochastic Buckley-Leverett problem when the probability distributions of the permeability and porosity fields are available. The method draws inspiration from the streamline approach and expresses the distributions of interest essentially in terms of an analytically derived mapping and the distribution of the time of flight. In a large class of applications the latter can be estimated at low computational costs (even via conventional Monte Carlo). Once the water saturation distribution is determined, any one-point statistics thereof can be obtained, especially its average and standard deviation. Moreover, rarely available in other approaches, yet crucial information such as the probability of rare events and saturation quantiles (e.g. P10, P50 and P90) can be derived from the method. We provide various examples and comparisons with Monte Carlo simulations to illustrate the performance of the method.

Component architecture in drug discovery informatics.

PubMed

Smith, Peter M

2002-05-01

This paper reviews the characteristics of a new model of computing that has been spurred on by the Internet, known as Netcentric computing. Developments in this model led to distributed component architectures, which, although not new ideas, are now realizable with modern tools such as Enterprise Java. The application of this approach to scientific computing, particularly in pharmaceutical discovery research, is discussed and highlighted by a particular case involving the management of biological assay data.

CLINICAL SURFACES - Activity-Based Computing for Distributed Multi-Display Environments in Hospitals

NASA Astrophysics Data System (ADS)

Bardram, Jakob E.; Bunde-Pedersen, Jonathan; Doryab, Afsaneh; Sørensen, Steffen

A multi-display environment (MDE) is made up of co-located and networked personal and public devices that form an integrated workspace enabling co-located group work. Traditionally, MDEs have, however, mainly been designed to support a single “smart room”, and have had little sense of the tasks and activities that the MDE is being used for. This paper presents a novel approach to support activity-based computing in distributed MDEs, where displays are physically distributed across a large building. CLINICAL SURFACES was designed for clinical work in hospitals, and enables context-sensitive retrieval and browsing of patient data on public displays. We present the design and implementation of CLINICAL SURFACES, and report from an evaluation of the system at a large hospital. The evaluation shows that using distributed public displays to support activity-based computing inside a hospital is very useful for clinical work, and that the apparent contradiction between maintaining privacy of medical data in a public display environment can be mitigated by the use of CLINICAL SURFACES.

HTSFinder: Powerful Pipeline of DNA Signature Discovery by Parallel and Distributed Computing

PubMed Central

Karimi, Ramin; Hajdu, Andras

2016-01-01

Comprehensive effort for low-cost sequencing in the past few years has led to the growth of complete genome databases. In parallel with this effort, a strong need, fast and cost-effective methods and applications have been developed to accelerate sequence analysis. Identification is the very first step of this task. Due to the difficulties, high costs, and computational challenges of alignment-based approaches, an alternative universal identification method is highly required. Like an alignment-free approach, DNA signatures have provided new opportunities for the rapid identification of species. In this paper, we present an effective pipeline HTSFinder (high-throughput signature finder) with a corresponding k-mer generator GkmerG (genome k-mers generator). Using this pipeline, we determine the frequency of k-mers from the available complete genome databases for the detection of extensive DNA signatures in a reasonably short time. Our application can detect both unique and common signatures in the arbitrarily selected target and nontarget databases. Hadoop and MapReduce as parallel and distributed computing tools with commodity hardware are used in this pipeline. This approach brings the power of high-performance computing into the ordinary desktop personal computers for discovering DNA signatures in large databases such as bacterial genome. A considerable number of detected unique and common DNA signatures of the target database bring the opportunities to improve the identification process not only for polymerase chain reaction and microarray assays but also for more complex scenarios such as metagenomics and next-generation sequencing analysis. PMID:26884678

HTSFinder: Powerful Pipeline of DNA Signature Discovery by Parallel and Distributed Computing.

PubMed

Karimi, Ramin; Hajdu, Andras

2016-01-01

Comprehensive effort for low-cost sequencing in the past few years has led to the growth of complete genome databases. In parallel with this effort, a strong need, fast and cost-effective methods and applications have been developed to accelerate sequence analysis. Identification is the very first step of this task. Due to the difficulties, high costs, and computational challenges of alignment-based approaches, an alternative universal identification method is highly required. Like an alignment-free approach, DNA signatures have provided new opportunities for the rapid identification of species. In this paper, we present an effective pipeline HTSFinder (high-throughput signature finder) with a corresponding k-mer generator GkmerG (genome k-mers generator). Using this pipeline, we determine the frequency of k-mers from the available complete genome databases for the detection of extensive DNA signatures in a reasonably short time. Our application can detect both unique and common signatures in the arbitrarily selected target and nontarget databases. Hadoop and MapReduce as parallel and distributed computing tools with commodity hardware are used in this pipeline. This approach brings the power of high-performance computing into the ordinary desktop personal computers for discovering DNA signatures in large databases such as bacterial genome. A considerable number of detected unique and common DNA signatures of the target database bring the opportunities to improve the identification process not only for polymerase chain reaction and microarray assays but also for more complex scenarios such as metagenomics and next-generation sequencing analysis.

An efficient distribution method for nonlinear transport problems in highly heterogeneous stochastic porous media

NASA Astrophysics Data System (ADS)

Ibrahima, Fayadhoi; Meyer, Daniel; Tchelepi, Hamdi

2016-04-01

Because geophysical data are inexorably sparse and incomplete, stochastic treatments of simulated responses are crucial to explore possible scenarios and assess risks in subsurface problems. In particular, nonlinear two-phase flows in porous media are essential, yet challenging, in reservoir simulation and hydrology. Adding highly heterogeneous and uncertain input, such as the permeability and porosity fields, transforms the estimation of the flow response into a tough stochastic problem for which computationally expensive Monte Carlo (MC) simulations remain the preferred option.We propose an alternative approach to evaluate the probability distribution of the (water) saturation for the stochastic Buckley-Leverett problem when the probability distributions of the permeability and porosity fields are available. We give a computationally efficient and numerically accurate method to estimate the one-point probability density (PDF) and cumulative distribution functions (CDF) of the (water) saturation. The distribution method draws inspiration from a Lagrangian approach of the stochastic transport problem and expresses the saturation PDF and CDF essentially in terms of a deterministic mapping and the distribution and statistics of scalar random fields. In a large class of applications these random fields can be estimated at low computational costs (few MC runs), thus making the distribution method attractive. Even though the method relies on a key assumption of fixed streamlines, we show that it performs well for high input variances, which is the case of interest. Once the saturation distribution is determined, any one-point statistics thereof can be obtained, especially the saturation average and standard deviation. Moreover, the probability of rare events and saturation quantiles (e.g. P10, P50 and P90) can be efficiently derived from the distribution method. These statistics can then be used for risk assessment, as well as data assimilation and uncertainty reduction in the prior knowledge of input distributions. We provide various examples and comparisons with MC simulations to illustrate the performance of the method.

Visualizing Spatially Varying Distribution Data

NASA Technical Reports Server (NTRS)

Kao, David; Luo, Alison; Dungan, Jennifer L.; Pang, Alex; Biegel, Bryan A. (Technical Monitor)

2002-01-01

Box plot is a compact representation that encodes the minimum, maximum, mean, median, and quarters information of a distribution. In practice, a single box plot is drawn for each variable of interest. With the advent of more accessible computing power, we are now facing the problem of visual icing data where there is a distribution at each 2D spatial location. Simply extending the box plot technique to distributions over 2D domain is not straightforward. One challenge is reducing the visual clutter if a box plot is drawn over each grid location in the 2D domain. This paper presents and discusses two general approaches, using parametric statistics and shape descriptors, to present 2D distribution data sets. Both approaches provide additional insights compared to the traditional box plot technique

A Process-Based Transport-Distance Model of Aeolian Transport

NASA Astrophysics Data System (ADS)

Naylor, A. K.; Okin, G.; Wainwright, J.; Parsons, A. J.

2017-12-01

We present a new approach to modeling aeolian transport based on transport distance. Particle fluxes are based on statistical probabilities of particle detachment and distributions of transport lengths, which are functions of particle size classes. A computational saltation model is used to simulate transport distances over a variety of sizes. These are fit to an exponential distribution, which has the advantages of computational economy, concordance with current field measurements, and a meaningful relationship to theoretical assumptions about mean and median particle transport distance. This novel approach includes particle-particle interactions, which are important for sustaining aeolian transport and dust emission. Results from this model are compared with results from both bulk- and particle-sized-specific transport equations as well as empirical wind tunnel studies. The transport-distance approach has been successfully used for hydraulic processes, and extending this methodology from hydraulic to aeolian transport opens up the possibility of modeling joint transport by wind and water using consistent physics. Particularly in nutrient-limited environments, modeling the joint action of aeolian and hydraulic transport is essential for understanding the spatial distribution of biomass across landscapes and how it responds to climatic variability and change.

Role of the ATLAS Grid Information System (AGIS) in Distributed Data Analysis and Simulation

NASA Astrophysics Data System (ADS)

Anisenkov, A. V.

2018-03-01

In modern high-energy physics experiments, particular attention is paid to the global integration of information and computing resources into a unified system for efficient storage and processing of experimental data. Annually, the ATLAS experiment performed at the Large Hadron Collider at the European Organization for Nuclear Research (CERN) produces tens of petabytes raw data from the recording electronics and several petabytes of data from the simulation system. For processing and storage of such super-large volumes of data, the computing model of the ATLAS experiment is based on heterogeneous geographically distributed computing environment, which includes the worldwide LHC computing grid (WLCG) infrastructure and is able to meet the requirements of the experiment for processing huge data sets and provide a high degree of their accessibility (hundreds of petabytes). The paper considers the ATLAS grid information system (AGIS) used by the ATLAS collaboration to describe the topology and resources of the computing infrastructure, to configure and connect the high-level software systems of computer centers, to describe and store all possible parameters, control, configuration, and other auxiliary information required for the effective operation of the ATLAS distributed computing applications and services. The role of the AGIS system in the development of a unified description of the computing resources provided by grid sites, supercomputer centers, and cloud computing into a consistent information model for the ATLAS experiment is outlined. This approach has allowed the collaboration to extend the computing capabilities of the WLCG project and integrate the supercomputers and cloud computing platforms into the software components of the production and distributed analysis workload management system (PanDA, ATLAS).

A modified Monte Carlo model for the ionospheric heating rates

NASA Technical Reports Server (NTRS)

Mayr, H. G.; Fontheim, E. G.; Robertson, S. C.

1972-01-01

A Monte Carlo method is adopted as a basis for the derivation of the photoelectron heat input into the ionospheric plasma. This approach is modified in an attempt to minimize the computation time. The heat input distributions are computed for arbitrarily small source elements that are spaced at distances apart corresponding to the photoelectron dissipation range. By means of a nonlinear interpolation procedure their individual heating rate distributions are utilized to produce synthetic ones that fill the gaps between the Monte Carlo generated distributions. By varying these gaps and the corresponding number of Monte Carlo runs the accuracy of the results is tested to verify the validity of this procedure. It is concluded that this model can reduce the computation time by more than a factor of three, thus improving the feasibility of including Monte Carlo calculations in self-consistent ionosphere models.

A Simpli ed, General Approach to Simulating from Multivariate Copula Functions

Treesearch

Barry Goodwin

2012-01-01

Copulas have become an important analytic tool for characterizing multivariate distributions and dependence. One is often interested in simulating data from copula estimates. The process can be analytically and computationally complex and usually involves steps that are unique to a given parametric copula. We describe an alternative approach that uses \\probability{...

Variance computations for functional of absolute risk estimates.

PubMed

Pfeiffer, R M; Petracci, E

2011-07-01

We present a simple influence function based approach to compute the variances of estimates of absolute risk and functions of absolute risk. We apply this approach to criteria that assess the impact of changes in the risk factor distribution on absolute risk for an individual and at the population level. As an illustration we use an absolute risk prediction model for breast cancer that includes modifiable risk factors in addition to standard breast cancer risk factors. Influence function based variance estimates for absolute risk and the criteria are compared to bootstrap variance estimates.

Variance computations for functional of absolute risk estimates

PubMed Central

Pfeiffer, R.M.; Petracci, E.

2011-01-01

We present a simple influence function based approach to compute the variances of estimates of absolute risk and functions of absolute risk. We apply this approach to criteria that assess the impact of changes in the risk factor distribution on absolute risk for an individual and at the population level. As an illustration we use an absolute risk prediction model for breast cancer that includes modifiable risk factors in addition to standard breast cancer risk factors. Influence function based variance estimates for absolute risk and the criteria are compared to bootstrap variance estimates. PMID:21643476

Microdot - A Four-Bit Microcontroller Designed for Distributed Low-End Computing in Satellites

NASA Astrophysics Data System (ADS)

2002-03-01

Many satellites are an integrated collection of sensors and actuators that require dedicated real-time control. For single processor systems, additional sensors require an increase in computing power and speed to provide the multi-tasking capability needed to service each sensor. Faster processors cost more and consume more power, which taxes a satellite's power resources and may lead to shorter satellite lifetimes. An alternative design approach is a distributed network of small and low power microcontrollers designed for space that handle the computing requirements of each individual sensor and actuator. The design of microdot, a four-bit microcontroller for distributed low-end computing, is presented. The design is based on previous research completed at the Space Electronics Branch, Air Force Research Laboratory (AFRL/VSSE) at Kirtland AFB, NM, and the Air Force Institute of Technology at Wright-Patterson AFB, OH. The Microdot has 29 instructions and a 1K x 4 instruction memory. The distributed computing architecture is based on the Philips Semiconductor I2C Serial Bus Protocol. A prototype was implemented and tested using an Altera Field Programmable Gate Array (FPGA). The prototype was operable to 9.1 MHz. The design was targeted for fabrication in a radiation-hardened-by-design gate-array cell library for the TSMC 0.35 micrometer CMOS process.

A convergent model for distributed processing of Big Sensor Data in urban engineering networks

NASA Astrophysics Data System (ADS)

Parygin, D. S.; Finogeev, A. G.; Kamaev, V. A.; Finogeev, A. A.; Gnedkova, E. P.; Tyukov, A. P.

2017-01-01

The problems of development and research of a convergent model of the grid, cloud, fog and mobile computing for analytical Big Sensor Data processing are reviewed. The model is meant to create monitoring systems of spatially distributed objects of urban engineering networks and processes. The proposed approach is the convergence model of the distributed data processing organization. The fog computing model is used for the processing and aggregation of sensor data at the network nodes and/or industrial controllers. The program agents are loaded to perform computing tasks for the primary processing and data aggregation. The grid and the cloud computing models are used for integral indicators mining and accumulating. A computing cluster has a three-tier architecture, which includes the main server at the first level, a cluster of SCADA system servers at the second level, a lot of GPU video cards with the support for the Compute Unified Device Architecture at the third level. The mobile computing model is applied to visualize the results of intellectual analysis with the elements of augmented reality and geo-information technologies. The integrated indicators are transferred to the data center for accumulation in a multidimensional storage for the purpose of data mining and knowledge gaining.

A probabilistic method for computing quantitative risk indexes from medical injuries compensation claims.

PubMed

Dalle Carbonare, S; Folli, F; Patrini, E; Giudici, P; Bellazzi, R

2013-01-01

The increasing demand of health care services and the complexity of health care delivery require Health Care Organizations (HCOs) to approach clinical risk management through proper methods and tools. An important aspect of risk management is to exploit the analysis of medical injuries compensation claims in order to reduce adverse events and, at the same time, to optimize the costs of health insurance policies. This work provides a probabilistic method to estimate the risk level of a HCO by computing quantitative risk indexes from medical injury compensation claims. Our method is based on the estimate of a loss probability distribution from compensation claims data through parametric and non-parametric modeling and Monte Carlo simulations. The loss distribution can be estimated both on the whole dataset and, thanks to the application of a Bayesian hierarchical model, on stratified data. The approach allows to quantitatively assessing the risk structure of the HCO by analyzing the loss distribution and deriving its expected value and percentiles. We applied the proposed method to 206 cases of injuries with compensation requests collected from 1999 to the first semester of 2007 by the HCO of Lodi, in the Northern part of Italy. We computed the risk indexes taking into account the different clinical departments and the different hospitals involved. The approach proved to be useful to understand the HCO risk structure in terms of frequency, severity, expected and unexpected loss related to adverse events.

Prototyping manufacturing in the cloud

NASA Astrophysics Data System (ADS)

Ciortea, E. M.

2017-08-01

This paper attempts a theoretical approach to cloud systems with impacts on production systems. I call systems as cloud computing because form a relatively new concept in the field of informatics, representing an overall distributed computing services, applications, access to information and data storage without the user to know the physical location and configuration of systems. The advantages of this approach are especially computing speed and storage capacity without investment in additional configurations, synchronizing user data, data processing using web applications. The disadvantage is that it wants to identify a solution for data security, leading to mistrust users. The case study is applied to a module of the system of production, because the system is complex.

A maximum entropy reconstruction technique for tomographic particle image velocimetry

NASA Astrophysics Data System (ADS)

Bilsky, A. V.; Lozhkin, V. A.; Markovich, D. M.; Tokarev, M. P.

2013-04-01

This paper studies a novel approach for reducing tomographic PIV computational complexity. The proposed approach is an algebraic reconstruction technique, termed MENT (maximum entropy). This technique computes the three-dimensional light intensity distribution several times faster than SMART, using at least ten times less memory. Additionally, the reconstruction quality remains nearly the same as with SMART. This paper presents the theoretical computation performance comparison for MENT, SMART and MART, followed by validation using synthetic particle images. Both the theoretical assessment and validation of synthetic images demonstrate significant computational time reduction. The data processing accuracy of MENT was compared to that of SMART in a slot jet experiment. A comparison of the average velocity profiles shows a high level of agreement between the results obtained with MENT and those obtained with SMART.

A Fully Distributed Approach to the Design of a KBIT/SEC VHF Packet Radio Network,

DTIC Science & Technology

1984-02-01

topological change and consequent out-modea routing data. Algorithm development has been aided by computer simulation using a finite state machine technique...development has been aided by computer simulation using a finite state machine technique to model a realistic network of up to fifty nodes. This is...use of computer based equipments in weapons systems and their associated sensors and command and control elements and the trend from voice to data

Efficient Parallel Algorithm For Direct Numerical Simulation of Turbulent Flows

NASA Technical Reports Server (NTRS)

Moitra, Stuti; Gatski, Thomas B.

1997-01-01

A distributed algorithm for a high-order-accurate finite-difference approach to the direct numerical simulation (DNS) of transition and turbulence in compressible flows is described. This work has two major objectives. The first objective is to demonstrate that parallel and distributed-memory machines can be successfully and efficiently used to solve computationally intensive and input/output intensive algorithms of the DNS class. The second objective is to show that the computational complexity involved in solving the tridiagonal systems inherent in the DNS algorithm can be reduced by algorithm innovations that obviate the need to use a parallelized tridiagonal solver.

Singularity computations

NASA Technical Reports Server (NTRS)

Swedlow, J. L.

1976-01-01

An approach is described for singularity computations based on a numerical method for elastoplastic flow to delineate radial and angular distribution of field quantities and measure the intensity of the singularity. The method is applicable to problems in solid mechanics and lends itself to certain types of heat flow and fluid motion studies. Its use is not limited to linear, elastic, small strain, or two-dimensional situations.

Exact analytical formulae for linearly distributed vortex and source sheets in uence computation in 2D vortex methods

NASA Astrophysics Data System (ADS)

Kuzmina, K. S.; Marchevsky, I. K.; Ryatina, E. P.

2017-11-01

We consider the methodology of numerical schemes development for two-dimensional vortex method. We describe two different approaches to deriving integral equation for unknown vortex sheet intensity. We simulate the velocity of the surface line of an airfoil as the influence of attached vortex and source sheets. We consider a polygonal approximation of the airfoil and assume intensity distributions of free and attached vortex sheets and attached source sheet to be approximated with piecewise constant or piecewise linear (continuous or discontinuous) functions. We describe several specific numerical schemes that provide different accuracy and have a different computational cost. The study shows that a Galerkin-type approach to solving boundary integral equation requires computing several integrals and double integrals over the panels. We obtain exact analytical formulae for all the necessary integrals, which makes it possible to raise significantly the accuracy of vortex sheet intensity computation and improve the quality of velocity and vorticity field representation, especially in proximity to the surface line of the airfoil. All the formulae are written down in the invariant form and depend only on the geometric relationship between the positions of the beginnings and ends of the panels.

Parallel Tensor Compression for Large-Scale Scientific Data.

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

Kolda, Tamara G.; Ballard, Grey; Austin, Woody Nathan

As parallel computing trends towards the exascale, scientific data produced by high-fidelity simulations are growing increasingly massive. For instance, a simulation on a three-dimensional spatial grid with 512 points per dimension that tracks 64 variables per grid point for 128 time steps yields 8 TB of data. By viewing the data as a dense five way tensor, we can compute a Tucker decomposition to find inherent low-dimensional multilinear structure, achieving compression ratios of up to 10000 on real-world data sets with negligible loss in accuracy. So that we can operate on such massive data, we present the first-ever distributed memorymore » parallel implementation for the Tucker decomposition, whose key computations correspond to parallel linear algebra operations, albeit with nonstandard data layouts. Our approach specifies a data distribution for tensors that avoids any tensor data redistribution, either locally or in parallel. We provide accompanying analysis of the computation and communication costs of the algorithms. To demonstrate the compression and accuracy of the method, we apply our approach to real-world data sets from combustion science simulations. We also provide detailed performance results, including parallel performance in both weak and strong scaling experiments.« less

A theoretical and computational study of lithium-ion battery thermal management for electric vehicles using heat pipes

NASA Astrophysics Data System (ADS)

Greco, Angelo; Cao, Dongpu; Jiang, Xi; Yang, Hong

2014-07-01

A simplified one-dimensional transient computational model of a prismatic lithium-ion battery cell is developed using thermal circuit approach in conjunction with the thermal model of the heat pipe. The proposed model is compared to an analytical solution based on variable separation as well as three-dimensional (3D) computational fluid dynamics (CFD) simulations. The three approaches, i.e. the 1D computational model, analytical solution, and 3D CFD simulations, yielded nearly identical results for the thermal behaviours. Therefore the 1D model is considered to be sufficient to predict the temperature distribution of lithium-ion battery thermal management using heat pipes. Moreover, a maximum temperature of 27.6 °C was predicted for the design of the heat pipe setup in a distributed configuration, while a maximum temperature of 51.5 °C was predicted when forced convection was applied to the same configuration. The higher surface contact of the heat pipes allows a better cooling management compared to forced convection cooling. Accordingly, heat pipes can be used to achieve effective thermal management of a battery pack with confined surface areas.

Sampling free energy surfaces as slices by combining umbrella sampling and metadynamics.

PubMed

Awasthi, Shalini; Kapil, Venkat; Nair, Nisanth N

2016-06-15

Metadynamics (MTD) is a very powerful technique to sample high-dimensional free energy landscapes, and due to its self-guiding property, the method has been successful in studying complex reactions and conformational changes. MTD sampling is based on filling the free energy basins by biasing potentials and thus for cases with flat, broad, and unbound free energy wells, the computational time to sample them becomes very large. To alleviate this problem, we combine the standard Umbrella Sampling (US) technique with MTD to sample orthogonal collective variables (CVs) in a simultaneous way. Within this scheme, we construct the equilibrium distribution of CVs from biased distributions obtained from independent MTD simulations with umbrella potentials. Reweighting is carried out by a procedure that combines US reweighting and Tiwary-Parrinello MTD reweighting within the Weighted Histogram Analysis Method (WHAM). The approach is ideal for a controlled sampling of a CV in a MTD simulation, making it computationally efficient in sampling flat, broad, and unbound free energy surfaces. This technique also allows for a distributed sampling of a high-dimensional free energy surface, further increasing the computational efficiency in sampling. We demonstrate the application of this technique in sampling high-dimensional surface for various chemical reactions using ab initio and QM/MM hybrid molecular dynamics simulations. Further, to carry out MTD bias reweighting for computing forward reaction barriers in ab initio or QM/MM simulations, we propose a computationally affordable approach that does not require recrossing trajectories. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

A rapid local singularity analysis algorithm with applications

NASA Astrophysics Data System (ADS)

Chen, Zhijun; Cheng, Qiuming; Agterberg, Frits

2015-04-01

The local singularity model developed by Cheng is fast gaining popularity in characterizing mineralization and detecting anomalies of geochemical, geophysical and remote sensing data. However in one of the conventional algorithms involving the moving average values with different scales is time-consuming especially while analyzing a large dataset. Summed area table (SAT), also called as integral image, is a fast algorithm used within the Viola-Jones object detection framework in computer vision area. Historically, the principle of SAT is well-known in the study of multi-dimensional probability distribution functions, namely in computing 2D (or ND) probabilities (area under the probability distribution) from the respective cumulative distribution functions. We introduce SAT and it's variation Rotated Summed Area Table in the isotropic, anisotropic or directional local singularity mapping in this study. Once computed using SAT, any one of the rectangular sum can be computed at any scale or location in constant time. The area for any rectangular region in the image can be computed by using only 4 array accesses in constant time independently of the size of the region; effectively reducing the time complexity from O(n) to O(1). New programs using Python, Julia, matlab and C++ are implemented respectively to satisfy different applications, especially to the big data analysis. Several large geochemical and remote sensing datasets are tested. A wide variety of scale changes (linear spacing or log spacing) for non-iterative or iterative approach are adopted to calculate the singularity index values and compare the results. The results indicate that the local singularity analysis with SAT is more robust and superior to traditional approach in identifying anomalies.

Computer Training for Entrepreneurial Meteorologists.

NASA Astrophysics Data System (ADS)

Koval, Joseph P.; Young, George S.

2001-05-01

Computer applications of increasing diversity form a growing part of the undergraduate education of meteorologists in the early twenty-first century. The advent of the Internet economy, as well as a waning demand for traditional forecasters brought about by better numerical models and statistical forecasting techniques has greatly increased the need for operational and commercial meteorologists to acquire computer skills beyond the traditional techniques of numerical analysis and applied statistics. Specifically, students with the skills to develop data distribution products are in high demand in the private sector job market. Meeting these demands requires greater breadth, depth, and efficiency in computer instruction. The authors suggest that computer instruction for undergraduate meteorologists should include three key elements: a data distribution focus, emphasis on the techniques required to learn computer programming on an as-needed basis, and a project orientation to promote management skills and support student morale. In an exploration of this approach, the authors have reinvented the Applications of Computers to Meteorology course in the Department of Meteorology at The Pennsylvania State University to teach computer programming within the framework of an Internet product development cycle. Because the computer skills required for data distribution programming change rapidly, specific languages are valuable for only a limited time. A key goal of this course was therefore to help students learn how to retrain efficiently as technologies evolve. The crux of the course was a semester-long project during which students developed an Internet data distribution product. As project management skills are also important in the job market, the course teamed students in groups of four for this product development project. The success, failures, and lessons learned from this experiment are discussed and conclusions drawn concerning undergraduate instructional methods for computer applications in meteorology.

A Distributed Middleware-Based Architecture for Fault-Tolerant Computing over Distributed Repositories

DTIC Science & Technology

2011-09-01

process). Beyond this project, it will be useful to determine  what access structures are meaningful and take the processing  cost  into  account  as well. In...14  Table 9  Costs  incurred by various approaches...28  Table 10  Costs  incurred by various approaches for Top K Plans

Functional requirements of computer systems for the U.S. Geological Survey, Water Resources Division, 1988-97

USGS Publications Warehouse

Hathaway, R.M.; McNellis, J.M.

1989-01-01

Investigating the occurrence, quantity, quality, distribution, and movement of the Nation 's water resources is the principal mission of the U.S. Geological Survey 's Water Resources Division. Reports of these investigations are published and available to the public. To accomplish this mission, the Division requires substantial computer technology to process, store, and analyze data from more than 57,000 hydrologic sites. The Division 's computer resources are organized through the Distributed Information System Program Office that manages the nationwide network of computers. The contract that provides the major computer components for the Water Resources Division 's Distributed information System expires in 1991. Five work groups were organized to collect the information needed to procure a new generation of computer systems for the U. S. Geological Survey, Water Resources Division. Each group was assigned a major Division activity and asked to describe its functional requirements of computer systems for the next decade. The work groups and major activities are: (1) hydrologic information; (2) hydrologic applications; (3) geographic information systems; (4) reports and electronic publishing; and (5) administrative. The work groups identified 42 functions and described their functional requirements for 1988, 1992, and 1997. A few new functions such as Decision Support Systems and Executive Information Systems, were identified, but most are the same as performed today. Although the number of functions will remain about the same, steady growth in the size, complexity, and frequency of many functions is predicted for the next decade. No compensating increase in the Division 's staff is anticipated during this period. To handle the increased workload and perform these functions, new approaches will be developed that use advanced computer technology. The advanced technology is required in a unified, tightly coupled system that will support all functions simultaneously. The new approaches and expanded use of computers will require substantial increases in the quantity and sophistication of the Division 's computer resources. The requirements presented in this report will be used to develop technical specifications that describe the computer resources needed during the 1990's. (USGS)

Distributed-Memory Fast Maximal Independent Set

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

Kanewala Appuhamilage, Thejaka Amila J.; Zalewski, Marcin J.; Lumsdaine, Andrew

The Maximal Independent Set (MIS) graph problem arises in many applications such as computer vision, information theory, molecular biology, and process scheduling. The growing scale of MIS problems suggests the use of distributed-memory hardware as a cost-effective approach to providing necessary compute and memory resources. Luby proposed four randomized algorithms to solve the MIS problem. All those algorithms are designed focusing on shared-memory machines and are analyzed using the PRAM model. These algorithms do not have direct efficient distributed-memory implementations. In this paper, we extend two of Luby’s seminal MIS algorithms, “Luby(A)” and “Luby(B),” to distributed-memory execution, and we evaluatemore » their performance. We compare our results with the “Filtered MIS” implementation in the Combinatorial BLAS library for two types of synthetic graph inputs.« less

Using an object-based grid system to evaluate a newly developed EP approach to formulate SVMs as applied to the classification of organophosphate nerve agents

NASA Astrophysics Data System (ADS)

Land, Walker H., Jr.; Lewis, Michael; Sadik, Omowunmi; Wong, Lut; Wanekaya, Adam; Gonzalez, Richard J.; Balan, Arun

2004-04-01

This paper extends the classification approaches described in reference [1] in the following way: (1.) developing and evaluating a new method for evolving organophosphate nerve agent Support Vector Machine (SVM) classifiers using Evolutionary Programming, (2.) conducting research experiments using a larger database of organophosphate nerve agents, and (3.) upgrading the architecture to an object-based grid system for evaluating the classification of EP derived SVMs. Due to the increased threats of chemical and biological weapons of mass destruction (WMD) by international terrorist organizations, a significant effort is underway to develop tools that can be used to detect and effectively combat biochemical warfare. This paper reports the integration of multi-array sensors with Support Vector Machines (SVMs) for the detection of organophosphates nerve agents using a grid computing system called Legion. Grid computing is the use of large collections of heterogeneous, distributed resources (including machines, databases, devices, and users) to support large-scale computations and wide-area data access. Finally, preliminary results using EP derived support vector machines designed to operate on distributed systems have provided accurate classification results. In addition, distributed training time architectures are 50 times faster when compared to standard iterative training time methods.

An object-oriented software approach for a distributed human tracking motion system

NASA Astrophysics Data System (ADS)

Micucci, Daniela L.

2003-06-01

Tracking is a composite job involving the co-operation of autonomous activities which exploit a complex information model and rely on a distributed architecture. Both information and activities must be classified and related in several dimensions: abstraction levels (what is modelled and how information is processed); topology (where the modelled entities are); time (when entities exist); strategy (why something happens); responsibilities (who is in charge of processing the information). A proper Object-Oriented analysis and design approach leads to a modular architecture where information about conceptual entities is modelled at each abstraction level via classes and intra-level associations, whereas inter-level associations between classes model the abstraction process. Both information and computation are partitioned according to level-specific topological models. They are also placed in a temporal framework modelled by suitable abstractions. Domain-specific strategies control the execution of the computations. Computational components perform both intra-level processing and intra-level information conversion. The paper overviews the phases of the analysis and design process, presents major concepts at each abstraction level, and shows how the resulting design turns into a modular, flexible and adaptive architecture. Finally, the paper sketches how the conceptual architecture can be deployed into a concrete distribute architecture by relying on an experimental framework.

Quantitative accuracy of the closed-form least-squares solution for targeted SPECT.

PubMed

Shcherbinin, S; Celler, A

2010-10-07

The aim of this study is to investigate the quantitative accuracy of the closed-form least-squares solution (LSS) for single photon emission computed tomography (SPECT). The main limitation for employing this method in actual clinical reconstructions is the computational cost related to operations with a large-sized system matrix. However, in some clinical situations, the size of the system matrix can be decreased using targeted reconstruction. For example, some oncology SPECT studies are characterized by intense tracer uptakes that are localized in relatively small areas, while the remaining parts of the patient body have only a low activity background. Conventional procedures reconstruct the activity distribution in the whole object, which leads to relatively poor image accuracy/resolution for tumors while computer resources are wasted, trying to rebuild diagnostically useless background. In this study, we apply a concept of targeted reconstruction to SPECT phantom experiments imitating such oncology scans. Our approach includes two major components: (i) disconnection of the entire imaging system of equations and extraction of only those parts that correspond to the targets, i.e., regions of interest (ROI) encompassing active containers/tumors and (ii) generation of the closed-form LSS for each target ROI. We compared these ROI-based LSS with those reconstructed by the conventional MLEM approach. The analysis of the five processed cases from two phantom experiments demonstrated that the LSS approach outperformed MLEM in terms of the noise level inside ROI. On the other hand, MLEM better recovered total activity if the number of iterations was large enough. For the experiment without background activity, the ROI-based LSS led to noticeably better spatial activity distribution inside ROI. However, the distributions pertaining to both approaches were practically identical for the experiment with the concentration ratio 7:1 between the containers and the background.

An approach to a real-time distribution system

NASA Technical Reports Server (NTRS)

Kittle, Frank P., Jr.; Paddock, Eddie J.; Pocklington, Tony; Wang, Lui

1990-01-01

The requirements of a real-time data distribution system are to provide fast, reliable delivery of data from source to destination with little or no impact to the data source. In this particular case, the data sources are inside an operational environment, the Mission Control Center (MCC), and any workstation receiving data directly from the operational computer must conform to the software standards of the MCC. In order to supply data to development workstations outside of the MCC, it is necessary to use gateway computers that prevent unauthorized data transfer back to the operational computers. Many software programs produced on the development workstations are targeted for real-time operation. Therefore, these programs must migrate from the development workstation to the operational workstation. It is yet another requirement for the Data Distribution System to ensure smooth transition of the data interfaces for the application developers. A standard data interface model has already been set up for the operational environment, so the interface between the distribution system and the application software was developed to match that model as closely as possible. The system as a whole therefore allows the rapid development of real-time applications without impacting the data sources. In summary, this approach to a real-time data distribution system provides development users outside of the MCC with an interface to MCC real-time data sources. In addition, the data interface was developed with a flexible and portable software design. This design allows for the smooth transition of new real-time applications to the MCC operational environment.

Meet EPA Environmental Engineer Terra Haxton, Ph.D.

EPA Pesticide Factsheets

EPA Environmental Engineer Terra Haxton, Ph.D., uses computer simulation models to protect drinking water. She investigates approaches to help water utilities be better prepared to respond to contamination incidents in their distribution systems.

Frequent Statement and Dereference Elimination for Imperative and Object-Oriented Distributed Programs

PubMed Central

El-Zawawy, Mohamed A.

2014-01-01

This paper introduces new approaches for the analysis of frequent statement and dereference elimination for imperative and object-oriented distributed programs running on parallel machines equipped with hierarchical memories. The paper uses languages whose address spaces are globally partitioned. Distributed programs allow defining data layout and threads writing to and reading from other thread memories. Three type systems (for imperative distributed programs) are the tools of the proposed techniques. The first type system defines for every program point a set of calculated (ready) statements and memory accesses. The second type system uses an enriched version of types of the first type system and determines which of the ready statements and memory accesses are used later in the program. The third type system uses the information gather so far to eliminate unnecessary statement computations and memory accesses (the analysis of frequent statement and dereference elimination). Extensions to these type systems are also presented to cover object-oriented distributed programs. Two advantages of our work over related work are the following. The hierarchical style of concurrent parallel computers is similar to the memory model used in this paper. In our approach, each analysis result is assigned a type derivation (serves as a correctness proof). PMID:24892098

Hybrid approach combining multiple characterization techniques and simulations for microstructural analysis of proton exchange membrane fuel cell electrodes

NASA Astrophysics Data System (ADS)

Cetinbas, Firat C.; Ahluwalia, Rajesh K.; Kariuki, Nancy; De Andrade, Vincent; Fongalland, Dash; Smith, Linda; Sharman, Jonathan; Ferreira, Paulo; Rasouli, Somaye; Myers, Deborah J.

2017-03-01

The cost and performance of proton exchange membrane fuel cells strongly depend on the cathode electrode due to usage of expensive platinum (Pt) group metal catalyst and sluggish reaction kinetics. Development of low Pt content high performance cathodes requires comprehensive understanding of the electrode microstructure. In this study, a new approach is presented to characterize the detailed cathode electrode microstructure from nm to μm length scales by combining information from different experimental techniques. In this context, nano-scale X-ray computed tomography (nano-CT) is performed to extract the secondary pore space of the electrode. Transmission electron microscopy (TEM) is employed to determine primary C particle and Pt particle size distributions. X-ray scattering, with its ability to provide size distributions of orders of magnitude more particles than TEM, is used to confirm the TEM-determined size distributions. The number of primary pores that cannot be resolved by nano-CT is approximated using mercury intrusion porosimetry. An algorithm is developed to incorporate all these experimental data in one geometric representation. Upon validation of pore size distribution against gas adsorption and mercury intrusion porosimetry data, reconstructed ionomer size distribution is reported. In addition, transport related characteristics and effective properties are computed by performing simulations on the hybrid microstructure.

A path integral methodology for obtaining thermodynamic properties of nonadiabatic systems using Gaussian mixture distributions

NASA Astrophysics Data System (ADS)

Raymond, Neil; Iouchtchenko, Dmitri; Roy, Pierre-Nicholas; Nooijen, Marcel

2018-05-01

We introduce a new path integral Monte Carlo method for investigating nonadiabatic systems in thermal equilibrium and demonstrate an approach to reducing stochastic error. We derive a general path integral expression for the partition function in a product basis of continuous nuclear and discrete electronic degrees of freedom without the use of any mapping schemes. We separate our Hamiltonian into a harmonic portion and a coupling portion; the partition function can then be calculated as the product of a Monte Carlo estimator (of the coupling contribution to the partition function) and a normalization factor (that is evaluated analytically). A Gaussian mixture model is used to evaluate the Monte Carlo estimator in a computationally efficient manner. Using two model systems, we demonstrate our approach to reduce the stochastic error associated with the Monte Carlo estimator. We show that the selection of the harmonic oscillators comprising the sampling distribution directly affects the efficiency of the method. Our results demonstrate that our path integral Monte Carlo method's deviation from exact Trotter calculations is dominated by the choice of the sampling distribution. By improving the sampling distribution, we can drastically reduce the stochastic error leading to lower computational cost.

A Note on Procrustean Rotation in Exploratory Factor Analysis: A Computer Intensive Approach to Goodness-of-Fit Evaluation.

ERIC Educational Resources Information Center

Raykov, Tenko; Little, Todd D.

1999-01-01

Describes a method for evaluating results of Procrustean rotation to a target factor pattern matrix in exploratory factor analysis. The approach, based on the bootstrap method, yields empirical approximations of the sampling distributions of: (1) differences between target elements and rotated factor pattern matrices; and (2) the overall…

COTS-based OO-component approach for software inter-operability and reuse (software systems engineering methodology)

NASA Technical Reports Server (NTRS)

Yin, J.; Oyaki, A.; Hwang, C.; Hung, C.

2000-01-01

The purpose of this research and study paper is to provide a summary description and results of rapid development accomplishments at NASA/JPL in the area of advanced distributed computing technology using a Commercial-Off--The-Shelf (COTS)-based object oriented component approach to open inter-operable software development and software reuse.

Fog computing job scheduling optimization based on bees swarm

NASA Astrophysics Data System (ADS)

Bitam, Salim; Zeadally, Sherali; Mellouk, Abdelhamid

2018-04-01

Fog computing is a new computing architecture, composed of a set of near-user edge devices called fog nodes, which collaborate together in order to perform computational services such as running applications, storing an important amount of data, and transmitting messages. Fog computing extends cloud computing by deploying digital resources at the premise of mobile users. In this new paradigm, management and operating functions, such as job scheduling aim at providing high-performance, cost-effective services requested by mobile users and executed by fog nodes. We propose a new bio-inspired optimization approach called Bees Life Algorithm (BLA) aimed at addressing the job scheduling problem in the fog computing environment. Our proposed approach is based on the optimized distribution of a set of tasks among all the fog computing nodes. The objective is to find an optimal tradeoff between CPU execution time and allocated memory required by fog computing services established by mobile users. Our empirical performance evaluation results demonstrate that the proposal outperforms the traditional particle swarm optimization and genetic algorithm in terms of CPU execution time and allocated memory.

Static and Dynamic Model Update of an Inflatable/Rigidizable Torus Structure

NASA Technical Reports Server (NTRS)

Horta, Lucas G.; Reaves, mercedes C.

2006-01-01

The present work addresses the development of an experimental and computational procedure for validating finite element models. A torus structure, part of an inflatable/rigidizable Hexapod, is used to demonstrate the approach. Because of fabrication, materials, and geometric uncertainties, a statistical approach combined with optimization is used to modify key model parameters. Static test results are used to update stiffness parameters and dynamic test results are used to update the mass distribution. Updated parameters are computed using gradient and non-gradient based optimization algorithms. Results show significant improvements in model predictions after parameters are updated. Lessons learned in the areas of test procedures, modeling approaches, and uncertainties quantification are presented.

XNsim: Internet-Enabled Collaborative Distributed Simulation via an Extensible Network

NASA Technical Reports Server (NTRS)

Novotny, John; Karpov, Igor; Zhang, Chendi; Bedrossian, Nazareth S.

2007-01-01

In this paper, the XNsim approach to achieve Internet-enabled, dynamically scalable collaborative distributed simulation capabilities is presented. With this approach, a complete simulation can be assembled from shared component subsystems written in different formats, that run on different computing platforms, with different sampling rates, in different geographic locations, and over singlelmultiple networks. The subsystems interact securely with each other via the Internet. Furthermore, the simulation topology can be dynamically modified. The distributed simulation uses a combination of hub-and-spoke and peer-topeer network topology. A proof-of-concept demonstrator is also presented. The XNsim demonstrator can be accessed at http://www.jsc.draver.corn/xn that hosts various examples of Internet enabled simulations.

Models@Home: distributed computing in bioinformatics using a screensaver based approach.

PubMed

Krieger, Elmar; Vriend, Gert

2002-02-01

Due to the steadily growing computational demands in bioinformatics and related scientific disciplines, one is forced to make optimal use of the available resources. A straightforward solution is to build a network of idle computers and let each of them work on a small piece of a scientific challenge, as done by Seti@Home (http://setiathome.berkeley.edu), the world's largest distributed computing project. We developed a generally applicable distributed computing solution that uses a screensaver system similar to Seti@Home. The software exploits the coarse-grained nature of typical bioinformatics projects. Three major considerations for the design were: (1) often, many different programs are needed, while the time is lacking to parallelize them. Models@Home can run any program in parallel without modifications to the source code; (2) in contrast to the Seti project, bioinformatics applications are normally more sensitive to lost jobs. Models@Home therefore includes stringent control over job scheduling; (3) to allow use in heterogeneous environments, Linux and Windows based workstations can be combined with dedicated PCs to build a homogeneous cluster. We present three practical applications of Models@Home, running the modeling programs WHAT IF and YASARA on 30 PCs: force field parameterization, molecular dynamics docking, and database maintenance.

Direct statistical modeling and its implications for predictive mapping in mining exploration

NASA Astrophysics Data System (ADS)

Sterligov, Boris; Gumiaux, Charles; Barbanson, Luc; Chen, Yan; Cassard, Daniel; Cherkasov, Sergey; Zolotaya, Ludmila

2010-05-01

Recent advances in geosciences make more and more multidisciplinary data available for mining exploration. This allowed developing methodologies for computing forecast ore maps from the statistical combination of such different input parameters, all based on an inverse problem theory. Numerous statistical methods (e.g. algebraic method, weight of evidence, Siris method, etc) with varying degrees of complexity in their development and implementation, have been proposed and/or adapted for ore geology purposes. In literature, such approaches are often presented through applications on natural examples and the results obtained can present specificities due to local characteristics. Moreover, though crucial for statistical computations, "minimum requirements" needed for input parameters (number of minimum data points, spatial distribution of objects, etc) are often only poorly expressed. From these, problems often arise when one has to choose between one and the other method for her/his specific question. In this study, a direct statistical modeling approach is developed in order to i) evaluate the constraints on the input parameters and ii) test the validity of different existing inversion methods. The approach particularly focused on the analysis of spatial relationships between location of points and various objects (e.g. polygons and /or polylines) which is particularly well adapted to constrain the influence of intrusive bodies - such as a granite - and faults or ductile shear-zones on spatial location of ore deposits (point objects). The method is designed in a way to insure a-dimensionality with respect to scale. In this approach, both spatial distribution and topology of objects (polygons and polylines) can be parametrized by the user (e.g. density of objects, length, surface, orientation, clustering). Then, the distance of points with respect to a given type of objects (polygons or polylines) is given using a probability distribution. The location of points is computed assuming either independency or different grades of dependency between the two probability distributions. The results show that i)polygons surface mean value, polylines length mean value, the number of objects and their clustering are critical and ii) the validity of the different tested inversion methods strongly depends on the relative importance and on the dependency between the parameters used. In addition, this combined approach of direct and inverse modeling offers an opportunity to test the robustness of the inferred distribution point laws with respect to the quality of the input data set.

Efficient Redundancy Techniques in Cloud and Desktop Grid Systems using MAP/G/c-type Queues

NASA Astrophysics Data System (ADS)

Chakravarthy, Srinivas R.; Rumyantsev, Alexander

2018-03-01

Cloud computing is continuing to prove its flexibility and versatility in helping industries and businesses as well as academia as a way of providing needed computing capacity. As an important alternative to cloud computing, desktop grids allow to utilize the idle computer resources of an enterprise/community by means of distributed computing system, providing a more secure and controllable environment with lower operational expenses. Further, both cloud computing and desktop grids are meant to optimize limited resources and at the same time to decrease the expected latency for users. The crucial parameter for optimization both in cloud computing and in desktop grids is the level of redundancy (replication) for service requests/workunits. In this paper we study the optimal replication policies by considering three variations of Fork-Join systems in the context of a multi-server queueing system with a versatile point process for the arrivals. For services we consider phase type distributions as well as shifted exponential and Weibull. We use both analytical and simulation approach in our analysis and report some interesting qualitative results.

The Distributed Diagonal Force Decomposition Method for Parallelizing Molecular Dynamics Simulations

PubMed Central

Boršnik, Urban; Miller, Benjamin T.; Brooks, Bernard R.; Janežič, Dušanka

2011-01-01

Parallelization is an effective way to reduce the computational time needed for molecular dynamics simulations. We describe a new parallelization method, the distributed-diagonal force decomposition method, with which we extend and improve the existing force decomposition methods. Our new method requires less data communication during molecular dynamics simulations than replicated data and current force decomposition methods, increasing the parallel efficiency. It also dynamically load-balances the processors' computational load throughout the simulation. The method is readily implemented in existing molecular dynamics codes and it has been incorporated into the CHARMM program, allowing its immediate use in conjunction with the many molecular dynamics simulation techniques that are already present in the program. We also present the design of the Force Decomposition Machine, a cluster of personal computers and networks that is tailored to running molecular dynamics simulations using the distributed diagonal force decomposition method. The design is expandable and provides various degrees of fault resilience. This approach is easily adaptable to computers with Graphics Processing Units because it is independent of the processor type being used. PMID:21793007

A Neural Information Field Approach to Computational Cognition

DTIC Science & Technology

2016-11-18

We have extended our perceptual decision making model to account for the effects of context in this flexible DISTRIBUTION A. Approved for public...developed a new perceptual decision making model; demonstrated adaptive motor control in a large-scale cognitive simulation with spiking neurons (Spaun...TERMS EOARD, Computational Cognition, Mixed-initiative decision making 16. SECURITY CLASSIFICATION OF: 17. LIMITATION OF ABSTRACT SAR 18. NUMBER OF

A Comparative Study of "The International Educational Technology Conference" (IETC) and "The International Conference on Computers in Education" (ICCE): The Program, Essay Distribution, the Themes, and Research Methods

ERIC Educational Resources Information Center

Chen, Gwo-Dong; Chen, Chun-Hsiang; Wang, Chin-Yeh; Li, Liang-Yi

2012-01-01

The article aims to compare international conferences, "The International Educational Technology Conference" (IETC, 2011) and "The International Conference on Computers in Education" (ICCE, 2010), from various dimensions. The comparison is expected to conclude a better approach for every IETC and ICCE to be held. (Contains 4…

Hamiltonian Monte Carlo acceleration using surrogate functions with random bases.

PubMed

Zhang, Cheng; Shahbaba, Babak; Zhao, Hongkai

2017-11-01

For big data analysis, high computational cost for Bayesian methods often limits their applications in practice. In recent years, there have been many attempts to improve computational efficiency of Bayesian inference. Here we propose an efficient and scalable computational technique for a state-of-the-art Markov chain Monte Carlo methods, namely, Hamiltonian Monte Carlo. The key idea is to explore and exploit the structure and regularity in parameter space for the underlying probabilistic model to construct an effective approximation of its geometric properties. To this end, we build a surrogate function to approximate the target distribution using properly chosen random bases and an efficient optimization process. The resulting method provides a flexible, scalable, and efficient sampling algorithm, which converges to the correct target distribution. We show that by choosing the basis functions and optimization process differently, our method can be related to other approaches for the construction of surrogate functions such as generalized additive models or Gaussian process models. Experiments based on simulated and real data show that our approach leads to substantially more efficient sampling algorithms compared to existing state-of-the-art methods.

A Distributed-Memory Package for Dense Hierarchically Semi-Separable Matrix Computations Using Randomization

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

Rouet, François-Henry; Li, Xiaoye S.; Ghysels, Pieter

In this paper, we present a distributed-memory library for computations with dense structured matrices. A matrix is considered structured if its off-diagonal blocks can be approximated by a rank-deficient matrix with low numerical rank. Here, we use Hierarchically Semi-Separable (HSS) representations. Such matrices appear in many applications, for example, finite-element methods, boundary element methods, and so on. Exploiting this structure allows for fast solution of linear systems and/or fast computation of matrix-vector products, which are the two main building blocks of matrix computations. The compression algorithm that we use, that computes the HSS form of an input dense matrix, reliesmore » on randomized sampling with a novel adaptive sampling mechanism. We discuss the parallelization of this algorithm and also present the parallelization of structured matrix-vector product, structured factorization, and solution routines. The efficiency of the approach is demonstrated on large problems from different academic and industrial applications, on up to 8,000 cores. Finally, this work is part of a more global effort, the STRUctured Matrices PACKage (STRUMPACK) software package for computations with sparse and dense structured matrices. Hence, although useful on their own right, the routines also represent a step in the direction of a distributed-memory sparse solver.« less

A Distributed-Memory Package for Dense Hierarchically Semi-Separable Matrix Computations Using Randomization

DOE PAGES

Rouet, François-Henry; Li, Xiaoye S.; Ghysels, Pieter; ...

2016-06-30

In this paper, we present a distributed-memory library for computations with dense structured matrices. A matrix is considered structured if its off-diagonal blocks can be approximated by a rank-deficient matrix with low numerical rank. Here, we use Hierarchically Semi-Separable (HSS) representations. Such matrices appear in many applications, for example, finite-element methods, boundary element methods, and so on. Exploiting this structure allows for fast solution of linear systems and/or fast computation of matrix-vector products, which are the two main building blocks of matrix computations. The compression algorithm that we use, that computes the HSS form of an input dense matrix, reliesmore » on randomized sampling with a novel adaptive sampling mechanism. We discuss the parallelization of this algorithm and also present the parallelization of structured matrix-vector product, structured factorization, and solution routines. The efficiency of the approach is demonstrated on large problems from different academic and industrial applications, on up to 8,000 cores. Finally, this work is part of a more global effort, the STRUctured Matrices PACKage (STRUMPACK) software package for computations with sparse and dense structured matrices. Hence, although useful on their own right, the routines also represent a step in the direction of a distributed-memory sparse solver.« less

Job Scheduling in a Heterogeneous Grid Environment

NASA Technical Reports Server (NTRS)

Shan, Hong-Zhang; Smith, Warren; Oliker, Leonid; Biswas, Rupak

2004-01-01

Computational grids have the potential for solving large-scale scientific problems using heterogeneous and geographically distributed resources. However, a number of major technical hurdles must be overcome before this potential can be realized. One problem that is critical to effective utilization of computational grids is the efficient scheduling of jobs. This work addresses this problem by describing and evaluating a grid scheduling architecture and three job migration algorithms. The architecture is scalable and does not assume control of local site resources. The job migration policies use the availability and performance of computer systems, the network bandwidth available between systems, and the volume of input and output data associated with each job. An extensive performance comparison is presented using real workloads from leading computational centers. The results, based on several key metrics, demonstrate that the performance of our distributed migration algorithms is significantly greater than that of a local scheduling framework and comparable to a non-scalable global scheduling approach.

Simulating Quantile Models with Applications to Economics and Management

NASA Astrophysics Data System (ADS)

Machado, José A. F.

2010-05-01

The massive increase in the speed of computers over the past forty years changed the way that social scientists, applied economists and statisticians approach their trades and also the very nature of the problems that they could feasibly tackle. The new methods that use intensively computer power go by the names of "computer-intensive" or "simulation". My lecture will start with bird's eye view of the uses of simulation in Economics and Statistics. Then I will turn out to my own research on uses of computer- intensive methods. From a methodological point of view the question I address is how to infer marginal distributions having estimated a conditional quantile process, (Counterfactual Decomposition of Changes in Wage Distributions using Quantile Regression," Journal of Applied Econometrics 20, 2005). Illustrations will be provided of the use of the method to perform counterfactual analysis in several different areas of knowledge.

Analytic saddlepoint approximation for ionization energy loss distributions

DOE PAGES

Sjue, Sky K. L.; George, Jr., Richard Neal; Mathews, David Gregory

2017-07-27

Here, we present a saddlepoint approximation for ionization energy loss distributions, valid for arbitrary relativistic velocities of the incident particle 0 < v/c < 1, provided that ionizing collisions are still the dominant energy loss mechanism. We derive a closed form solution closely related to Moyal’s distribution. This distribution is intended for use in simulations with relatively low computational overhead. The approximation generally reproduces the Vavilov most probable energy loss and full width at half maximum to better than 1% and 10%, respectively, with significantly better agreement as Vavilov’s κ approaches 1.

Analytic saddlepoint approximation for ionization energy loss distributions

NASA Astrophysics Data System (ADS)

Sjue, S. K. L.; George, R. N.; Mathews, D. G.

2017-09-01

We present a saddlepoint approximation for ionization energy loss distributions, valid for arbitrary relativistic velocities of the incident particle 0 < v / c < 1 , provided that ionizing collisions are still the dominant energy loss mechanism. We derive a closed form solution closely related to Moyal's distribution. This distribution is intended for use in simulations with relatively low computational overhead. The approximation generally reproduces the Vavilov most probable energy loss and full width at half maximum to better than 1% and 10%, respectively, with significantly better agreement as Vavilov's κ approaches 1.

Analytic saddlepoint approximation for ionization energy loss distributions

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

Sjue, Sky K. L.; George, Jr., Richard Neal; Mathews, David Gregory

Here, we present a saddlepoint approximation for ionization energy loss distributions, valid for arbitrary relativistic velocities of the incident particle 0 < v/c < 1, provided that ionizing collisions are still the dominant energy loss mechanism. We derive a closed form solution closely related to Moyal’s distribution. This distribution is intended for use in simulations with relatively low computational overhead. The approximation generally reproduces the Vavilov most probable energy loss and full width at half maximum to better than 1% and 10%, respectively, with significantly better agreement as Vavilov’s κ approaches 1.

Finite-dimensional approximation for optimal fixed-order compensation of distributed parameter systems

NASA Technical Reports Server (NTRS)

Bernstein, Dennis S.; Rosen, I. G.

1988-01-01

In controlling distributed parameter systems it is often desirable to obtain low-order, finite-dimensional controllers in order to minimize real-time computational requirements. Standard approaches to this problem employ model/controller reduction techniques in conjunction with LQG theory. In this paper we consider the finite-dimensional approximation of the infinite-dimensional Bernstein/Hyland optimal projection theory. This approach yields fixed-finite-order controllers which are optimal with respect to high-order, approximating, finite-dimensional plant models. The technique is illustrated by computing a sequence of first-order controllers for one-dimensional, single-input/single-output, parabolic (heat/diffusion) and hereditary systems using spline-based, Ritz-Galerkin, finite element approximation. Numerical studies indicate convergence of the feedback gains with less than 2 percent performance degradation over full-order LQG controllers for the parabolic system and 10 percent degradation for the hereditary system.

Distributed Coordinated Control of Large-Scale Nonlinear Networks

DOE PAGES

Kundu, Soumya; Anghel, Marian

2015-11-08

We provide a distributed coordinated approach to the stability analysis and control design of largescale nonlinear dynamical systems by using a vector Lyapunov functions approach. In this formulation the large-scale system is decomposed into a network of interacting subsystems and the stability of the system is analyzed through a comparison system. However finding such comparison system is not trivial. In this work, we propose a sum-of-squares based completely decentralized approach for computing the comparison systems for networks of nonlinear systems. Moreover, based on the comparison systems, we introduce a distributed optimal control strategy in which the individual subsystems (agents) coordinatemore » with their immediate neighbors to design local control policies that can exponentially stabilize the full system under initial disturbances.We illustrate the control algorithm on a network of interacting Van der Pol systems.« less

A Bayesian approach for parameter estimation and prediction using a computationally intensive model

DOE PAGES

Higdon, Dave; McDonnell, Jordan D.; Schunck, Nicolas; ...

2015-02-05

Bayesian methods have been successful in quantifying uncertainty in physics-based problems in parameter estimation and prediction. In these cases, physical measurements y are modeled as the best fit of a physics-based modelmore » $$\\eta (\\theta )$$, where θ denotes the uncertain, best input setting. Hence the statistical model is of the form $$y=\\eta (\\theta )+\\epsilon ,$$ where $$\\epsilon $$ accounts for measurement, and possibly other, error sources. When nonlinearity is present in $$\\eta (\\cdot )$$, the resulting posterior distribution for the unknown parameters in the Bayesian formulation is typically complex and nonstandard, requiring computationally demanding computational approaches such as Markov chain Monte Carlo (MCMC) to produce multivariate draws from the posterior. Although generally applicable, MCMC requires thousands (or even millions) of evaluations of the physics model $$\\eta (\\cdot )$$. This requirement is problematic if the model takes hours or days to evaluate. To overcome this computational bottleneck, we present an approach adapted from Bayesian model calibration. This approach combines output from an ensemble of computational model runs with physical measurements, within a statistical formulation, to carry out inference. A key component of this approach is a statistical response surface, or emulator, estimated from the ensemble of model runs. We demonstrate this approach with a case study in estimating parameters for a density functional theory model, using experimental mass/binding energy measurements from a collection of atomic nuclei. Lastly, we also demonstrate how this approach produces uncertainties in predictions for recent mass measurements obtained at Argonne National Laboratory.« less

Desktop supercomputer: what can it do?

NASA Astrophysics Data System (ADS)

Bogdanov, A.; Degtyarev, A.; Korkhov, V.

2017-12-01

The paper addresses the issues of solving complex problems that require using supercomputers or multiprocessor clusters available for most researchers nowadays. Efficient distribution of high performance computing resources according to actual application needs has been a major research topic since high-performance computing (HPC) technologies became widely introduced. At the same time, comfortable and transparent access to these resources was a key user requirement. In this paper we discuss approaches to build a virtual private supercomputer available at user's desktop: a virtual computing environment tailored specifically for a target user with a particular target application. We describe and evaluate possibilities to create the virtual supercomputer based on light-weight virtualization technologies, and analyze the efficiency of our approach compared to traditional methods of HPC resource management.

Semiautomatic and Automatic Cooperative Inversion of Seismic and Magnetotelluric Data

NASA Astrophysics Data System (ADS)

Le, Cuong V. A.; Harris, Brett D.; Pethick, Andrew M.; Takam Takougang, Eric M.; Howe, Brendan

2016-09-01

Natural source electromagnetic methods have the potential to recover rock property distributions from the surface to great depths. Unfortunately, results in complex 3D geo-electrical settings can be disappointing, especially where significant near-surface conductivity variations exist. In such settings, unconstrained inversion of magnetotelluric data is inexorably non-unique. We believe that: (1) correctly introduced information from seismic reflection can substantially improve MT inversion, (2) a cooperative inversion approach can be automated, and (3) massively parallel computing can make such a process viable. Nine inversion strategies including baseline unconstrained inversion and new automated/semiautomated cooperative inversion approaches are applied to industry-scale co-located 3D seismic and magnetotelluric data sets. These data sets were acquired in one of the Carlin gold deposit districts in north-central Nevada, USA. In our approach, seismic information feeds directly into the creation of sets of prior conductivity model and covariance coefficient distributions. We demonstrate how statistical analysis of the distribution of selected seismic attributes can be used to automatically extract subvolumes that form the framework for prior model 3D conductivity distribution. Our cooperative inversion strategies result in detailed subsurface conductivity distributions that are consistent with seismic, electrical logs and geochemical analysis of cores. Such 3D conductivity distributions would be expected to provide clues to 3D velocity structures that could feed back into full seismic inversion for an iterative practical and truly cooperative inversion process. We anticipate that, with the aid of parallel computing, cooperative inversion of seismic and magnetotelluric data can be fully automated, and we hold confidence that significant and practical advances in this direction have been accomplished.

A Cognitive Approach to e-Learning

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

Greitzer, Frank L.; Rice, Douglas M.; Eaton, Sharon L.

2003-12-01

Like traditional classroom instruction, distributed learning derives from passive training paradigms. Just as student-centered classroom teaching methods have been applied over several decades of classroom instruction, interactive approaches have been encouraged for distributed learning. While implementation of multimedia-based training features may appear to produce active learning, sophisticated use of multimedia features alone does not necessarily enhance learning. This paper describes the results of applying cognitive science principles to enhance learning in a student-centered, distributed learning environment, and lessons learned in developing and delivering this training. Our interactive, scenario-based approach exploits multimedia technology within a systematic, cognitive framework for learning. Themore » basis of the application of cognitive principles is the innovative use of multimedia technology to implement interaction elements. These simple multimedia interactions, which are used to support new concepts, are later combined with other interaction elements to create more complex, integrated practical exercises. This technology-based approach may be applied in a variety of training and education contexts, but is especially well suited for training of equipment operators and maintainers. For example, it has been used in a sustainment training application for the United States Army's Combat Support System Automated Information System Interface (CAISI). The CAISI provides a wireless communications capability that allows various logistics systems to communicate across the battlefield. Based on classroom training material developed by the CAISI Project Office, the Pacific Northwest National Laboratory designed and developed an interactive, student-centered distributed-learning application for CAISI operators and maintainers. This web-based CAISI training system is also distributed on CD media for use on individual computers, and material developed for the computer-based course can be used in the classroom. In addition to its primary role in sustainment training, this distributed learning course can complement or replace portions of the classroom instruction, thus supporting a blended learning solution.« less

A Comparative Distributed Evaluation of the NWS-RDHM using Shape Matching and Traditional Measures with In Situ and Remotely Sensed Information

NASA Astrophysics Data System (ADS)

KIM, J.; Bastidas, L. A.

2011-12-01

We evaluate, calibrate and diagnose the performance of National Weather Service RDHM distributed model over the Durango River Basin in Colorado using simultaneously in situ and remotely sensed information from different discharge gaging stations (USGS), information about snow cover (SCV) and snow water equivalent (SWE) in situ from several SNOTEL sites and snow information distributed over the catchment from remotely sensed information (NOAA-NASA). In the process of evaluation we attempt to establish the optimal degree of parameter distribution over the catchment by calibration. A multi-criteria approach based on traditional measures (RMSE) and similarity based pattern comparisons using the Hausdorff and Earth Movers Distance approaches is used for the overall evaluation of the model performance. These pattern based approaches (shape matching) are found to be extremely relevant to account for the relatively large degree of inaccuracy in the remotely sensed SWE (judged inaccurate in terms of the value but reliable in terms of the distribution pattern) and the high reliability of the SCV (yes/no situation) while at the same time allow for an evaluation that quantifies the accuracy of the model over the entire catchment considering the different types of observations. The Hausdorff norm, due to its intrinsically multi-dimensional nature, allows for the incorporation of variables such as the terrain elevation as one of the variables for evaluation. The EMD, because of its extremely high computational overburden, requires the mapping of the set of evaluation variables into a two dimensional matrix for computation.

Calculation of absolute protein-ligand binding free energy using distributed replica sampling.

PubMed

Rodinger, Tomas; Howell, P Lynne; Pomès, Régis

2008-10-21

Distributed replica sampling [T. Rodinger et al., J. Chem. Theory Comput. 2, 725 (2006)] is a simple and general scheme for Boltzmann sampling of conformational space by computer simulation in which multiple replicas of the system undergo a random walk in reaction coordinate or temperature space. Individual replicas are linked through a generalized Hamiltonian containing an extra potential energy term or bias which depends on the distribution of all replicas, thus enforcing the desired sampling distribution along the coordinate or parameter of interest regardless of free energy barriers. In contrast to replica exchange methods, efficient implementation of the algorithm does not require synchronicity of the individual simulations. The algorithm is inherently suited for large-scale simulations using shared or heterogeneous computing platforms such as a distributed network. In this work, we build on our original algorithm by introducing Boltzmann-weighted jumping, which allows moves of a larger magnitude and thus enhances sampling efficiency along the reaction coordinate. The approach is demonstrated using a realistic and biologically relevant application; we calculate the standard binding free energy of benzene to the L99A mutant of T4 lysozyme. Distributed replica sampling is used in conjunction with thermodynamic integration to compute the potential of mean force for extracting the ligand from protein and solvent along a nonphysical spatial coordinate. Dynamic treatment of the reaction coordinate leads to faster statistical convergence of the potential of mean force than a conventional static coordinate, which suffers from slow transitions on a rugged potential energy surface.

Calculation of absolute protein-ligand binding free energy using distributed replica sampling

NASA Astrophysics Data System (ADS)

Rodinger, Tomas; Howell, P. Lynne; Pomès, Régis

2008-10-01

Distributed replica sampling [T. Rodinger et al., J. Chem. Theory Comput. 2, 725 (2006)] is a simple and general scheme for Boltzmann sampling of conformational space by computer simulation in which multiple replicas of the system undergo a random walk in reaction coordinate or temperature space. Individual replicas are linked through a generalized Hamiltonian containing an extra potential energy term or bias which depends on the distribution of all replicas, thus enforcing the desired sampling distribution along the coordinate or parameter of interest regardless of free energy barriers. In contrast to replica exchange methods, efficient implementation of the algorithm does not require synchronicity of the individual simulations. The algorithm is inherently suited for large-scale simulations using shared or heterogeneous computing platforms such as a distributed network. In this work, we build on our original algorithm by introducing Boltzmann-weighted jumping, which allows moves of a larger magnitude and thus enhances sampling efficiency along the reaction coordinate. The approach is demonstrated using a realistic and biologically relevant application; we calculate the standard binding free energy of benzene to the L99A mutant of T4 lysozyme. Distributed replica sampling is used in conjunction with thermodynamic integration to compute the potential of mean force for extracting the ligand from protein and solvent along a nonphysical spatial coordinate. Dynamic treatment of the reaction coordinate leads to faster statistical convergence of the potential of mean force than a conventional static coordinate, which suffers from slow transitions on a rugged potential energy surface.

A Spatiotemporal Clustering Approach to Maritime Domain Awareness

DTIC Science & Technology

2013-09-01

1997. [25] M. E. Celebi, “Effective initialization of k-means for color quantization,” 16th IEEE International Conference on Image Processing (ICIP...release; distribution is unlimited 12b. DISTRIBUTION CODE 13. ABSTRACT (maximum 200 words) Spatiotemporal clustering is the process of grouping...Department of Electrical and Computer Engineering iv THIS PAGE INTENTIONALLY LEFT BLANK v ABSTRACT Spatiotemporal clustering is the process of

Computing the Effects of Strain on Electronic States: A Survey of Methods and Issues

DTIC Science & Technology

2012-12-01

DISTRIBUTION/AVAILABILITY STATEMENT Approved for public release; distribution is unlimited. 13. SUPPLEMENTARY NOTES 14. ABSTRACT We present a...lays the foundations for first-principles approaches, including discussion of spin-orbit coupling. Section 3 presents an overview of empirical...addition and removal energies of the independent-electron approximation. For simplicity, the energy levels in the figure have been presented as if they

Towards a model of pion generalized parton distributions from Dyson-Schwinger equations

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

Moutarde, H.

2015-04-10

We compute the pion quark Generalized Parton Distribution H{sup q} and Double Distributions F{sup q} and G{sup q} in a coupled Bethe-Salpeter and Dyson-Schwinger approach. We use simple algebraic expressions inspired by the numerical resolution of Dyson-Schwinger and Bethe-Salpeter equations. We explicitly check the support and polynomiality properties, and the behavior under charge conjugation or time invariance of our model. We derive analytic expressions for the pion Double Distributions and Generalized Parton Distribution at vanishing pion momentum transfer at a low scale. Our model compares very well to experimental pion form factor or parton distribution function data.

Validation of Bayesian analysis of compartmental kinetic models in medical imaging.

PubMed

Sitek, Arkadiusz; Li, Quanzheng; El Fakhri, Georges; Alpert, Nathaniel M

2016-10-01

Kinetic compartmental analysis is frequently used to compute physiologically relevant quantitative values from time series of images. In this paper, a new approach based on Bayesian analysis to obtain information about these parameters is presented and validated. The closed-form of the posterior distribution of kinetic parameters is derived with a hierarchical prior to model the standard deviation of normally distributed noise. Markov chain Monte Carlo methods are used for numerical estimation of the posterior distribution. Computer simulations of the kinetics of F18-fluorodeoxyglucose (FDG) are used to demonstrate drawing statistical inferences about kinetic parameters and to validate the theory and implementation. Additionally, point estimates of kinetic parameters and covariance of those estimates are determined using the classical non-linear least squares approach. Posteriors obtained using methods proposed in this work are accurate as no significant deviation from the expected shape of the posterior was found (one-sided P>0.08). It is demonstrated that the results obtained by the standard non-linear least-square methods fail to provide accurate estimation of uncertainty for the same data set (P<0.0001). The results of this work validate new methods for a computer simulations of FDG kinetics. Results show that in situations where the classical approach fails in accurate estimation of uncertainty, Bayesian estimation provides an accurate information about the uncertainties in the parameters. Although a particular example of FDG kinetics was used in the paper, the methods can be extended for different pharmaceuticals and imaging modalities. Copyright © 2016 Associazione Italiana di Fisica Medica. Published by Elsevier Ltd. All rights reserved.

Efficient workload management in geographically distributed data centers leveraging autoregressive models

NASA Astrophysics Data System (ADS)

Altomare, Albino; Cesario, Eugenio; Mastroianni, Carlo

2016-10-01

The opportunity of using Cloud resources on a pay-as-you-go basis and the availability of powerful data centers and high bandwidth connections are speeding up the success and popularity of Cloud systems, which is making on-demand computing a common practice for enterprises and scientific communities. The reasons for this success include natural business distribution, the need for high availability and disaster tolerance, the sheer size of their computational infrastructure, and/or the desire to provide uniform access times to the infrastructure from widely distributed client sites. Nevertheless, the expansion of large data centers is resulting in a huge rise of electrical power consumed by hardware facilities and cooling systems. The geographical distribution of data centers is becoming an opportunity: the variability of electricity prices, environmental conditions and client requests, both from site to site and with time, makes it possible to intelligently and dynamically (re)distribute the computational workload and achieve as diverse business goals as: the reduction of costs, energy consumption and carbon emissions, the satisfaction of performance constraints, the adherence to Service Level Agreement established with users, etc. This paper proposes an approach that helps to achieve the business goals established by the data center administrators. The workload distribution is driven by a fitness function, evaluated for each data center, which weighs some key parameters related to business objectives, among which, the price of electricity, the carbon emission rate, the balance of load among the data centers etc. For example, the energy costs can be reduced by using a "follow the moon" approach, e.g. by migrating the workload to data centers where the price of electricity is lower at that time. Our approach uses data about historical usage of the data centers and data about environmental conditions to predict, with the help of regressive models, the values of the parameters of the fitness function, and then to appropriately tune the weights assigned to the parameters in accordance to the business goals. Preliminary experimental results, presented in this paper, show encouraging benefits.

A Parameter Communication Optimization Strategy for Distributed Machine Learning in Sensors.

PubMed

Zhang, Jilin; Tu, Hangdi; Ren, Yongjian; Wan, Jian; Zhou, Li; Li, Mingwei; Wang, Jue; Yu, Lifeng; Zhao, Chang; Zhang, Lei

2017-09-21

In order to utilize the distributed characteristic of sensors, distributed machine learning has become the mainstream approach, but the different computing capability of sensors and network delays greatly influence the accuracy and the convergence rate of the machine learning model. Our paper describes a reasonable parameter communication optimization strategy to balance the training overhead and the communication overhead. We extend the fault tolerance of iterative-convergent machine learning algorithms and propose the Dynamic Finite Fault Tolerance (DFFT). Based on the DFFT, we implement a parameter communication optimization strategy for distributed machine learning, named Dynamic Synchronous Parallel Strategy (DSP), which uses the performance monitoring model to dynamically adjust the parameter synchronization strategy between worker nodes and the Parameter Server (PS). This strategy makes full use of the computing power of each sensor, ensures the accuracy of the machine learning model, and avoids the situation that the model training is disturbed by any tasks unrelated to the sensors.

Collaborative Simulation Grid: Multiscale Quantum-Mechanical/Classical Atomistic Simulations on Distributed PC Clusters in the US and Japan

NASA Technical Reports Server (NTRS)

Kikuchi, Hideaki; Kalia, Rajiv; Nakano, Aiichiro; Vashishta, Priya; Iyetomi, Hiroshi; Ogata, Shuji; Kouno, Takahisa; Shimojo, Fuyuki; Tsuruta, Kanji; Saini, Subhash;

Steady state, relaxation and first-passage properties of a run-and-tumble particle in one-dimension

NASA Astrophysics Data System (ADS)

Malakar, Kanaya; Jemseena, V.; Kundu, Anupam; Vijay Kumar, K.; Sabhapandit, Sanjib; Majumdar, Satya N.; Redner, S.; Dhar, Abhishek

2018-04-01

We investigate the motion of a run-and-tumble particle (RTP) in one dimension. We find the exact probability distribution of the particle with and without diffusion on the infinite line, as well as in a finite interval. In the infinite domain, this probability distribution approaches a Gaussian form in the long-time limit, as in the case of a regular Brownian particle. At intermediate times, this distribution exhibits unexpected multi-modal forms. In a finite domain, the probability distribution reaches a steady-state form with peaks at the boundaries, in contrast to a Brownian particle. We also study the relaxation to the steady-state analytically. Finally we compute the survival probability of the RTP in a semi-infinite domain with an absorbing boundary condition at the origin. In the finite interval, we compute the exit probability and the associated exit times. We provide numerical verification of our analytical results.

Simulation framework for intelligent transportation systems

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

Ewing, T.; Doss, E.; Hanebutte, U.

1996-10-01

A simulation framework has been developed for a large-scale, comprehensive, scaleable simulation of an Intelligent Transportation System (ITS). The simulator is designed for running on parallel computers and distributed (networked) computer systems, but can run on standalone workstations for smaller simulations. The simulator currently models instrumented smart vehicles with in-vehicle navigation units capable of optimal route planning and Traffic Management Centers (TMC). The TMC has probe vehicle tracking capabilities (display position and attributes of instrumented vehicles), and can provide two-way interaction with traffic to provide advisories and link times. Both the in-vehicle navigation module and the TMC feature detailed graphicalmore » user interfaces to support human-factors studies. Realistic modeling of variations of the posted driving speed are based on human factors studies that take into consideration weather, road conditions, driver personality and behavior, and vehicle type. The prototype has been developed on a distributed system of networked UNIX computers but is designed to run on parallel computers, such as ANL`s IBM SP-2, for large-scale problems. A novel feature of the approach is that vehicles are represented by autonomous computer processes which exchange messages with other processes. The vehicles have a behavior model which governs route selection and driving behavior, and can react to external traffic events much like real vehicles. With this approach, the simulation is scaleable to take advantage of emerging massively parallel processor (MPP) systems.« less

Divide and Conquer (DC) BLAST: fast and easy BLAST execution within HPC environments

DOE PAGES

Yim, Won Cheol; Cushman, John C.

2017-07-22

Bioinformatics is currently faced with very large-scale data sets that lead to computational jobs, especially sequence similarity searches, that can take absurdly long times to run. For example, the National Center for Biotechnology Information (NCBI) Basic Local Alignment Search Tool (BLAST and BLAST+) suite, which is by far the most widely used tool for rapid similarity searching among nucleic acid or amino acid sequences, is highly central processing unit (CPU) intensive. While the BLAST suite of programs perform searches very rapidly, they have the potential to be accelerated. In recent years, distributed computing environments have become more widely accessible andmore » used due to the increasing availability of high-performance computing (HPC) systems. Therefore, simple solutions for data parallelization are needed to expedite BLAST and other sequence analysis tools. However, existing software for parallel sequence similarity searches often requires extensive computational experience and skill on the part of the user. In order to accelerate BLAST and other sequence analysis tools, Divide and Conquer BLAST (DCBLAST) was developed to perform NCBI BLAST searches within a cluster, grid, or HPC environment by using a query sequence distribution approach. Scaling from one (1) to 256 CPU cores resulted in significant improvements in processing speed. Thus, DCBLAST dramatically accelerates the execution of BLAST searches using a simple, accessible, robust, and parallel approach. DCBLAST works across multiple nodes automatically and it overcomes the speed limitation of single-node BLAST programs. DCBLAST can be used on any HPC system, can take advantage of hundreds of nodes, and has no output limitations. Thus, this freely available tool simplifies distributed computation pipelines to facilitate the rapid discovery of sequence similarities between very large data sets.« less

Divide and Conquer (DC) BLAST: fast and easy BLAST execution within HPC environments

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

Yim, Won Cheol; Cushman, John C.

Bioinformatics is currently faced with very large-scale data sets that lead to computational jobs, especially sequence similarity searches, that can take absurdly long times to run. For example, the National Center for Biotechnology Information (NCBI) Basic Local Alignment Search Tool (BLAST and BLAST+) suite, which is by far the most widely used tool for rapid similarity searching among nucleic acid or amino acid sequences, is highly central processing unit (CPU) intensive. While the BLAST suite of programs perform searches very rapidly, they have the potential to be accelerated. In recent years, distributed computing environments have become more widely accessible andmore » used due to the increasing availability of high-performance computing (HPC) systems. Therefore, simple solutions for data parallelization are needed to expedite BLAST and other sequence analysis tools. However, existing software for parallel sequence similarity searches often requires extensive computational experience and skill on the part of the user. In order to accelerate BLAST and other sequence analysis tools, Divide and Conquer BLAST (DCBLAST) was developed to perform NCBI BLAST searches within a cluster, grid, or HPC environment by using a query sequence distribution approach. Scaling from one (1) to 256 CPU cores resulted in significant improvements in processing speed. Thus, DCBLAST dramatically accelerates the execution of BLAST searches using a simple, accessible, robust, and parallel approach. DCBLAST works across multiple nodes automatically and it overcomes the speed limitation of single-node BLAST programs. DCBLAST can be used on any HPC system, can take advantage of hundreds of nodes, and has no output limitations. Thus, this freely available tool simplifies distributed computation pipelines to facilitate the rapid discovery of sequence similarities between very large data sets.« less

Computational and experimental studies of LEBUs at high device Reynolds numbers

NASA Technical Reports Server (NTRS)

Bertelrud, Arild; Watson, R. D.

1988-01-01

The present paper summarizes computational and experimental studies for large-eddy breakup devices (LEBUs). LEBU optimization (using a computational approach considering compressibility, Reynolds number, and the unsteadiness of the flow) and experiments with LEBUs at high Reynolds numbers in flight are discussed. The measurements include streamwise as well as spanwise distributions of local skin friction. The unsteady flows around the LEBU devices and far downstream are characterized by strain-gage measurements on the devices and hot-wire readings downstream. Computations are made with available time-averaged and quasi-stationary techniques to find suitable device profiles with minimum drag.

A note on a simplified and general approach to simulating from multivariate copula functions

Treesearch

Barry K. Goodwin

2013-01-01

Copulas have become an important analytic tool for characterizing multivariate distributions and dependence. One is often interested in simulating data from copula estimates. The process can be analytically and computationally complex and usually involves steps that are unique to a given parametric copula. We describe an alternative approach that uses ‘Probability-...

Structural factoring approach for analyzing stochastic networks

NASA Technical Reports Server (NTRS)

Hayhurst, Kelly J.; Shier, Douglas R.

1991-01-01

The problem of finding the distribution of the shortest path length through a stochastic network is investigated. A general algorithm for determining the exact distribution of the shortest path length is developed based on the concept of conditional factoring, in which a directed, stochastic network is decomposed into an equivalent set of smaller, generally less complex subnetworks. Several network constructs are identified and exploited to reduce significantly the computational effort required to solve a network problem relative to complete enumeration. This algorithm can be applied to two important classes of stochastic path problems: determining the critical path distribution for acyclic networks and the exact two-terminal reliability for probabilistic networks. Computational experience with the algorithm was encouraging and allowed the exact solution of networks that have been previously analyzed only by approximation techniques.

Discriminative Bayesian Dictionary Learning for Classification.

PubMed

Akhtar, Naveed; Shafait, Faisal; Mian, Ajmal

2016-12-01

We propose a Bayesian approach to learn discriminative dictionaries for sparse representation of data. The proposed approach infers probability distributions over the atoms of a discriminative dictionary using a finite approximation of Beta Process. It also computes sets of Bernoulli distributions that associate class labels to the learned dictionary atoms. This association signifies the selection probabilities of the dictionary atoms in the expansion of class-specific data. Furthermore, the non-parametric character of the proposed approach allows it to infer the correct size of the dictionary. We exploit the aforementioned Bernoulli distributions in separately learning a linear classifier. The classifier uses the same hierarchical Bayesian model as the dictionary, which we present along the analytical inference solution for Gibbs sampling. For classification, a test instance is first sparsely encoded over the learned dictionary and the codes are fed to the classifier. We performed experiments for face and action recognition; and object and scene-category classification using five public datasets and compared the results with state-of-the-art discriminative sparse representation approaches. Experiments show that the proposed Bayesian approach consistently outperforms the existing approaches.

Multimodal registration via spatial-context mutual information.

PubMed

Yi, Zhao; Soatto, Stefano

2011-01-01

We propose a method to efficiently compute mutual information between high-dimensional distributions of image patches. This in turn is used to perform accurate registration of images captured under different modalities, while exploiting their local structure otherwise missed in traditional mutual information definition. We achieve this by organizing the space of image patches into orbits under the action of Euclidean transformations of the image plane, and estimating the modes of a distribution in such an orbit space using affinity propagation. This way, large collections of patches that are equivalent up to translations and rotations are mapped to the same representative, or "dictionary element". We then show analytically that computing mutual information for a joint distribution in this space reduces to computing mutual information between the (scalar) label maps, and between the transformations mapping each patch into its closest dictionary element. We show that our approach improves registration performance compared with the state of the art in multimodal registration, using both synthetic and real images with quantitative ground truth.

A uniform approach for programming distributed heterogeneous computing systems

PubMed Central

Grasso, Ivan; Pellegrini, Simone; Cosenza, Biagio; Fahringer, Thomas

2014-01-01

Large-scale compute clusters of heterogeneous nodes equipped with multi-core CPUs and GPUs are getting increasingly popular in the scientific community. However, such systems require a combination of different programming paradigms making application development very challenging. In this article we introduce libWater, a library-based extension of the OpenCL programming model that simplifies the development of heterogeneous distributed applications. libWater consists of a simple interface, which is a transparent abstraction of the underlying distributed architecture, offering advanced features such as inter-context and inter-node device synchronization. It provides a runtime system which tracks dependency information enforced by event synchronization to dynamically build a DAG of commands, on which we automatically apply two optimizations: collective communication pattern detection and device-host-device copy removal. We assess libWater’s performance in three compute clusters available from the Vienna Scientific Cluster, the Barcelona Supercomputing Center and the University of Innsbruck, demonstrating improved performance and scaling with different test applications and configurations. PMID:25844015

A uniform approach for programming distributed heterogeneous computing systems.

PubMed

Grasso, Ivan; Pellegrini, Simone; Cosenza, Biagio; Fahringer, Thomas

2014-12-01

Large-scale compute clusters of heterogeneous nodes equipped with multi-core CPUs and GPUs are getting increasingly popular in the scientific community. However, such systems require a combination of different programming paradigms making application development very challenging. In this article we introduce libWater, a library-based extension of the OpenCL programming model that simplifies the development of heterogeneous distributed applications. libWater consists of a simple interface, which is a transparent abstraction of the underlying distributed architecture, offering advanced features such as inter-context and inter-node device synchronization. It provides a runtime system which tracks dependency information enforced by event synchronization to dynamically build a DAG of commands, on which we automatically apply two optimizations: collective communication pattern detection and device-host-device copy removal. We assess libWater's performance in three compute clusters available from the Vienna Scientific Cluster, the Barcelona Supercomputing Center and the University of Innsbruck, demonstrating improved performance and scaling with different test applications and configurations.

Stochastic simulation of human pulmonary blood flow and transit time frequency distribution based on anatomic and elasticity data.

PubMed

Huang, Wei; Shi, Jun; Yen, R T

2012-12-01

The objective of our study was to develop a computing program for computing the transit time frequency distributions of red blood cell in human pulmonary circulation, based on our anatomic and elasticity data of blood vessels in human lung. A stochastic simulation model was introduced to simulate blood flow in human pulmonary circulation. In the stochastic simulation model, the connectivity data of pulmonary blood vessels in human lung was converted into a probability matrix. Based on this model, the transit time of red blood cell in human pulmonary circulation and the output blood pressure were studied. Additionally, the stochastic simulation model can be used to predict the changes of blood flow in human pulmonary circulation with the advantage of the lower computing cost and the higher flexibility. In conclusion, a stochastic simulation approach was introduced to simulate the blood flow in the hierarchical structure of a pulmonary circulation system, and to calculate the transit time distributions and the blood pressure outputs.

Planning for distributed workflows: constraint-based coscheduling of computational jobs and data placement in distributed environments

NASA Astrophysics Data System (ADS)

Makatun, Dzmitry; Lauret, Jérôme; Rudová, Hana; Šumbera, Michal

2015-05-01

When running data intensive applications on distributed computational resources long I/O overheads may be observed as access to remotely stored data is performed. Latencies and bandwidth can become the major limiting factor for the overall computation performance and can reduce the CPU/WallTime ratio to excessive IO wait. Reusing the knowledge of our previous research, we propose a constraint programming based planner that schedules computational jobs and data placements (transfers) in a distributed environment in order to optimize resource utilization and reduce the overall processing completion time. The optimization is achieved by ensuring that none of the resources (network links, data storages and CPUs) are oversaturated at any moment of time and either (a) that the data is pre-placed at the site where the job runs or (b) that the jobs are scheduled where the data is already present. Such an approach eliminates the idle CPU cycles occurring when the job is waiting for the I/O from a remote site and would have wide application in the community. Our planner was evaluated and simulated based on data extracted from log files of batch and data management systems of the STAR experiment. The results of evaluation and estimation of performance improvements are discussed in this paper.

A compositional reservoir simulator on distributed memory parallel computers

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

Rame, M.; Delshad, M.

1995-12-31

This paper presents the application of distributed memory parallel computes to field scale reservoir simulations using a parallel version of UTCHEM, The University of Texas Chemical Flooding Simulator. The model is a general purpose highly vectorized chemical compositional simulator that can simulate a wide range of displacement processes at both field and laboratory scales. The original simulator was modified to run on both distributed memory parallel machines (Intel iPSC/960 and Delta, Connection Machine 5, Kendall Square 1 and 2, and CRAY T3D) and a cluster of workstations. A domain decomposition approach has been taken towards parallelization of the code. Amore » portion of the discrete reservoir model is assigned to each processor by a set-up routine that attempts a data layout as even as possible from the load-balance standpoint. Each of these subdomains is extended so that data can be shared between adjacent processors for stencil computation. The added routines that make parallel execution possible are written in a modular fashion that makes the porting to new parallel platforms straight forward. Results of the distributed memory computing performance of Parallel simulator are presented for field scale applications such as tracer flood and polymer flood. A comparison of the wall-clock times for same problems on a vector supercomputer is also presented.« less

A Computational Approach to Estimate Interorgan Metabolic Transport in a Mammal

PubMed Central

Cui, Xiao; Geffers, Lars; Eichele, Gregor; Yan, Jun

2014-01-01

In multicellular organisms metabolism is distributed across different organs, each of which has specific requirements to perform its own specialized task. But different organs also have to support the metabolic homeostasis of the organism as a whole by interorgan metabolite transport. Recent studies have successfully reconstructed global metabolic networks in tissues and cell types and attempts have been made to connect organs with interorgan metabolite transport. Instead of these complicated approaches to reconstruct global metabolic networks, we proposed in this study a novel approach to study interorgan metabolite transport focusing on transport processes mediated by solute carrier (Slc) transporters and their couplings to cognate enzymatic reactions. We developed a computational approach to identify and score potential interorgan metabolite transports based on the integration of metabolism and transports in different organs in the adult mouse from quantitative gene expression data. This allowed us to computationally estimate the connectivity between 17 mouse organs via metabolite transport. Finally, by applying our method to circadian metabolism, we showed that our approach can shed new light on the current understanding of interorgan metabolite transport at a whole-body level in mammals. PMID:24971892

A Computationally-Efficient Inverse Approach to Probabilistic Strain-Based Damage Diagnosis

NASA Technical Reports Server (NTRS)

Warner, James E.; Hochhalter, Jacob D.; Leser, William P.; Leser, Patrick E.; Newman, John A

2016-01-01

This work presents a computationally-efficient inverse approach to probabilistic damage diagnosis. Given strain data at a limited number of measurement locations, Bayesian inference and Markov Chain Monte Carlo (MCMC) sampling are used to estimate probability distributions of the unknown location, size, and orientation of damage. Substantial computational speedup is obtained by replacing a three-dimensional finite element (FE) model with an efficient surrogate model. The approach is experimentally validated on cracked test specimens where full field strains are determined using digital image correlation (DIC). Access to full field DIC data allows for testing of different hypothetical sensor arrangements, facilitating the study of strain-based diagnosis effectiveness as the distance between damage and measurement locations increases. The ability of the framework to effectively perform both probabilistic damage localization and characterization in cracked plates is demonstrated and the impact of measurement location on uncertainty in the predictions is shown. Furthermore, the analysis time to produce these predictions is orders of magnitude less than a baseline Bayesian approach with the FE method by utilizing surrogate modeling and effective numerical sampling approaches.

Oxygen Distributions-Evaluation of Computational Methods, Using a Stochastic Model for Large Tumour Vasculature, to Elucidate the Importance of Considering a Complete Vascular Network.

PubMed

Lagerlöf, Jakob H; Bernhardt, Peter

2016-01-01

To develop a general model that utilises a stochastic method to generate a vessel tree based on experimental data, and an associated irregular, macroscopic tumour. These will be used to evaluate two different methods for computing oxygen distribution. A vessel tree structure, and an associated tumour of 127 cm3, were generated, using a stochastic method and Bresenham's line algorithm to develop trees on two different scales and fusing them together. The vessel dimensions were adjusted through convolution and thresholding and each vessel voxel was assigned an oxygen value. Diffusion and consumption were modelled using a Green's function approach together with Michaelis-Menten kinetics. The computations were performed using a combined tree method (CTM) and an individual tree method (ITM). Five tumour sub-sections were compared, to evaluate the methods. The oxygen distributions of the same tissue samples, using different methods of computation, were considerably less similar (root mean square deviation, RMSD≈0.02) than the distributions of different samples using CTM (0.001< RMSD<0.01). The deviations of ITM from CTM increase with lower oxygen values, resulting in ITM severely underestimating the level of hypoxia in the tumour. Kolmogorov Smirnov (KS) tests showed that millimetre-scale samples may not represent the whole. The stochastic model managed to capture the heterogeneous nature of hypoxic fractions and, even though the simplified computation did not considerably alter the oxygen distribution, it leads to an evident underestimation of tumour hypoxia, and thereby radioresistance. For a trustworthy computation of tumour oxygenation, the interaction between adjacent microvessel trees must not be neglected, why evaluation should be made using high resolution and the CTM, applied to the entire tumour.

On Learning Cluster Coefficient of Private Networks

PubMed Central

Wang, Yue; Wu, Xintao; Zhu, Jun; Xiang, Yang

2013-01-01

Enabling accurate analysis of social network data while preserving differential privacy has been challenging since graph features such as clustering coefficient or modularity often have high sensitivity, which is different from traditional aggregate functions (e.g., count and sum) on tabular data. In this paper, we treat a graph statistics as a function f and develop a divide and conquer approach to enforce differential privacy. The basic procedure of this approach is to first decompose the target computation f into several less complex unit computations f1, …, fm connected by basic mathematical operations (e.g., addition, subtraction, multiplication, division), then perturb the output of each fi with Laplace noise derived from its own sensitivity value and the distributed privacy threshold εi, and finally combine those perturbed fi as the perturbed output of computation f. We examine how various operations affect the accuracy of complex computations. When unit computations have large global sensitivity values, we enforce the differential privacy by calibrating noise based on the smooth sensitivity, rather than the global sensitivity. By doing this, we achieve the strict differential privacy guarantee with smaller magnitude noise. We illustrate our approach by using clustering coefficient, which is a popular statistics used in social network analysis. Empirical evaluations on five real social networks and various synthetic graphs generated from three random graph models show the developed divide and conquer approach outperforms the direct approach. PMID:24429843

Shuttle Electrical Power Analysis Program (SEPAP); single string circuit analysis report

NASA Technical Reports Server (NTRS)

Murdock, C. R.

1974-01-01

An evaluation is reported of the data obtained from an analysis of the distribution network characteristics of the shuttle during a spacelab mission. A description of the approach utilized in the development of the computer program and data base is provided and conclusions are drawn from the analysis of the data. Data sheets are provided for information to support the detailed discussion on each computer run.

Status of the Electroforming Shield Design (ESD) project

NASA Technical Reports Server (NTRS)

Fletcher, R. E.

1977-01-01

The utilization of a digital computer to augment electrodeposition/electroforming processes in which nonconducting shielding controls local cathodic current distribution is reported. The primary underlying philosophy of the physics of electrodeposition was presented. The technical approach taken to analytically simulate electrolytic tank variables was also included. A FORTRAN computer program has been developed and implemented. The program utilized finite element techniques and electrostatic theory to simulate electropotential fields and ionic transport.

Rapid and Robust Cross-Correlation-Based Seismic Phase Identification Using an Approximate Nearest Neighbor Method

NASA Astrophysics Data System (ADS)

Tibi, R.; Young, C. J.; Gonzales, A.; Ballard, S.; Encarnacao, A. V.

2016-12-01

The matched filtering technique involving the cross-correlation of a waveform of interest with archived signals from a template library has proven to be a powerful tool for detecting events in regions with repeating seismicity. However, waveform correlation is computationally expensive, and therefore impractical for large template sets unless dedicated distributed computing hardware and software are used. In this study, we introduce an Approximate Nearest Neighbor (ANN) approach that enables the use of very large template libraries for waveform correlation without requiring a complex distributed computing system. Our method begins with a projection into a reduced dimensionality space based on correlation with a randomized subset of the full template archive. Searching for a specified number of nearest neighbors is accomplished by using randomized K-dimensional trees. We used the approach to search for matches to each of 2700 analyst-reviewed signal detections reported for May 2010 for the IMS station MKAR. The template library in this case consists of a dataset of more than 200,000 analyst-reviewed signal detections for the same station from 2002-2014 (excluding May 2010). Of these signal detections, 60% are teleseismic first P, and 15% regional phases (Pn, Pg, Sn, and Lg). The analyses performed on a standard desktop computer shows that the proposed approach performs the search of the large template libraries about 20 times faster than the standard full linear search, while achieving recall rates greater than 80%, with the recall rate increasing for higher correlation values. To decide whether to confirm a match, we use a hybrid method involving a cluster approach for queries with two or more matches, and correlation score for single matches. Of the signal detections that passed our confirmation process, 52% were teleseismic first P, and 30% were regional phases.

Optimal sensor placement for leak location in water distribution networks using genetic algorithms.

PubMed

Casillas, Myrna V; Puig, Vicenç; Garza-Castañón, Luis E; Rosich, Albert

2013-11-04

This paper proposes a new sensor placement approach for leak location in water distribution networks (WDNs). The sensor placement problem is formulated as an integer optimization problem. The optimization criterion consists in minimizing the number of non-isolable leaks according to the isolability criteria introduced. Because of the large size and non-linear integer nature of the resulting optimization problem, genetic algorithms (GAs) are used as the solution approach. The obtained results are compared with a semi-exhaustive search method with higher computational effort, proving that GA allows one to find near-optimal solutions with less computational load. Moreover, three ways of increasing the robustness of the GA-based sensor placement method have been proposed using a time horizon analysis, a distance-based scoring and considering different leaks sizes. A great advantage of the proposed methodology is that it does not depend on the isolation method chosen by the user, as long as it is based on leak sensitivity analysis. Experiments in two networks allow us to evaluate the performance of the proposed approach.

Optimal Sensor Placement for Leak Location in Water Distribution Networks Using Genetic Algorithms

PubMed Central

Casillas, Myrna V.; Puig, Vicenç; Garza-Castañón, Luis E.; Rosich, Albert

2013-01-01

This paper proposes a new sensor placement approach for leak location in water distribution networks (WDNs). The sensor placement problem is formulated as an integer optimization problem. The optimization criterion consists in minimizing the number of non-isolable leaks according to the isolability criteria introduced. Because of the large size and non-linear integer nature of the resulting optimization problem, genetic algorithms (GAs) are used as the solution approach. The obtained results are compared with a semi-exhaustive search method with higher computational effort, proving that GA allows one to find near-optimal solutions with less computational load. Moreover, three ways of increasing the robustness of the GA-based sensor placement method have been proposed using a time horizon analysis, a distance-based scoring and considering different leaks sizes. A great advantage of the proposed methodology is that it does not depend on the isolation method chosen by the user, as long as it is based on leak sensitivity analysis. Experiments in two networks allow us to evaluate the performance of the proposed approach. PMID:24193099

Calculation of Multistage Turbomachinery Using Steady Characteristic Boundary Conditions

NASA Technical Reports Server (NTRS)

Chima, Rodrick V.

1998-01-01

A multiblock Navier-Stokes analysis code for turbomachinery has been modified to allow analysis of multistage turbomachines. A steady averaging-plane approach was used to pass information between blade rows. Characteristic boundary conditions written in terms of perturbations about the mean flow from the neighboring blade row were used to allow close spacing between the blade rows without forcing the flow to be axisymmetric. In this report the multiblock code is described briefly and the characteristic boundary conditions and the averaging-plane implementation are described in detail. Two approaches for averaging the flow properties are also described. A two-dimensional turbine stator case was used to compare the characteristic boundary conditions with standard axisymmetric boundary conditions. Differences were apparent but small in this low-speed case. The two-stage fuel turbine used on the space shuttle main engines was then analyzed using a three-dimensional averaging-plane approach. Computed surface pressure distributions on the stator blades and endwalls and computed distributions of blade surface heat transfer coefficient on three blades showed very good agreement with experimental data from two tests.

Computational photoacoustic imaging with sparsity-based optimization of the initial pressure distribution

NASA Astrophysics Data System (ADS)

Shang, Ruibo; Archibald, Richard; Gelb, Anne; Luke, Geoffrey P.

2018-02-01

In photoacoustic (PA) imaging, the optical absorption can be acquired from the initial pressure distribution (IPD). An accurate reconstruction of the IPD will be very helpful for the reconstruction of the optical absorption. However, the image quality of PA imaging in scattering media is deteriorated by the acoustic diffraction, imaging artifacts, and weak PA signals. In this paper, we propose a sparsity-based optimization approach that improves the reconstruction of the IPD in PA imaging. A linear imaging forward model was set up based on time-and-delay method with the assumption that the point spread function (PSF) is spatial invariant. Then, an optimization equation was proposed with a regularization term to denote the sparsity of the IPD in a certain domain to solve this inverse problem. As a proof of principle, the approach was applied to reconstructing point objects and blood vessel phantoms. The resolution and signal-to-noise ratio (SNR) were compared between conventional back-projection and our proposed approach. Overall these results show that computational imaging can leverage the sparsity of PA images to improve the estimation of the IPD.

Adaptive Management of Computing and Network Resources for Spacecraft Systems

NASA Technical Reports Server (NTRS)

Pfarr, Barbara; Welch, Lonnie R.; Detter, Ryan; Tjaden, Brett; Huh, Eui-Nam; Szczur, Martha R. (Technical Monitor)

2000-01-01

It is likely that NASA's future spacecraft systems will consist of distributed processes which will handle dynamically varying workloads in response to perceived scientific events, the spacecraft environment, spacecraft anomalies and user commands. Since all situations and possible uses of sensors cannot be anticipated during pre-deployment phases, an approach for dynamically adapting the allocation of distributed computational and communication resources is needed. To address this, we are evolving the DeSiDeRaTa adaptive resource management approach to enable reconfigurable ground and space information systems. The DeSiDeRaTa approach embodies a set of middleware mechanisms for adapting resource allocations, and a framework for reasoning about the real-time performance of distributed application systems. The framework and middleware will be extended to accommodate (1) the dynamic aspects of intra-constellation network topologies, and (2) the complete real-time path from the instrument to the user. We are developing a ground-based testbed that will enable NASA to perform early evaluation of adaptive resource management techniques without the expense of first deploying them in space. The benefits of the proposed effort are numerous, including the ability to use sensors in new ways not anticipated at design time; the production of information technology that ties the sensor web together; the accommodation of greater numbers of missions with fewer resources; and the opportunity to leverage the DeSiDeRaTa project's expertise, infrastructure and models for adaptive resource management for distributed real-time systems.

A Framework to Design the Computational Load Distribution of Wireless Sensor Networks in Power Consumption Constrained Environments

PubMed Central

Sánchez-Álvarez, David; Rodríguez-Pérez, Francisco-Javier

2018-01-01

In this paper, we present a work based on the computational load distribution among the homogeneous nodes and the Hub/Sink of Wireless Sensor Networks (WSNs). The main contribution of the paper is an early decision support framework helping WSN designers to take decisions about computational load distribution for those WSNs where power consumption is a key issue (when we refer to “framework” in this work, we are considering it as a support tool to make decisions where the executive judgment can be included along with the set of mathematical tools of the WSN designer; this work shows the need to include the load distribution as an integral component of the WSN system for making early decisions regarding energy consumption). The framework takes advantage of the idea that balancing sensors nodes and Hub/Sink computational load can lead to improved energy consumption for the whole or at least the battery-powered nodes of the WSN. The approach is not trivial and it takes into account related issues such as the required data distribution, nodes, and Hub/Sink connectivity and availability due to their connectivity features and duty-cycle. For a practical demonstration, the proposed framework is applied to an agriculture case study, a sector very relevant in our region. In this kind of rural context, distances, low costs due to vegetable selling prices and the lack of continuous power supplies may lead to viable or inviable sensing solutions for the farmers. The proposed framework systematize and facilitates WSN designers the required complex calculations taking into account the most relevant variables regarding power consumption, avoiding full/partial/prototype implementations, and measurements of different computational load distribution potential solutions for a specific WSN. PMID:29570645

Inverse statistical estimation via order statistics: a resolution of the ill-posed inverse problem of PERT scheduling

NASA Astrophysics Data System (ADS)

Pickard, William F.

2004-10-01

The classical PERT inverse statistics problem requires estimation of the mean, \\skew1\\bar{m} , and standard deviation, s, of a unimodal distribution given estimates of its mode, m, and of the smallest, a, and largest, b, values likely to be encountered. After placing the problem in historical perspective and showing that it is ill-posed because it is underdetermined, this paper offers an approach to resolve the ill-posedness: (a) by interpreting a and b modes of order statistic distributions; (b) by requiring also an estimate of the number of samples, N, considered in estimating the set {m, a, b}; and (c) by maximizing a suitable likelihood, having made the traditional assumption that the underlying distribution is beta. Exact formulae relating the four parameters of the beta distribution to {m, a, b, N} and the assumed likelihood function are then used to compute the four underlying parameters of the beta distribution; and from them, \\skew1\\bar{m} and s are computed using exact formulae.

Enabling High-performance Interactive Geoscience Data Analysis Through Data Placement and Movement Optimization

NASA Astrophysics Data System (ADS)

Zhu, F.; Yu, H.; Rilee, M. L.; Kuo, K. S.; Yu, L.; Pan, Y.; Jiang, H.

2017-12-01

Since the establishment of data archive centers and the standardization of file formats, scientists are required to search metadata catalogs for data needed and download the data files to their local machines to carry out data analysis. This approach has facilitated data discovery and access for decades, but it inevitably leads to data transfer from data archive centers to scientists' computers through low-bandwidth Internet connections. Data transfer becomes a major performance bottleneck in such an approach. Combined with generally constrained local compute/storage resources, they limit the extent of scientists' studies and deprive them of timely outcomes. Thus, this conventional approach is not scalable with respect to both the volume and variety of geoscience data. A much more viable solution is to couple analysis and storage systems to minimize data transfer. In our study, we compare loosely coupled approaches (exemplified by Spark and Hadoop) and tightly coupled approaches (exemplified by parallel distributed database management systems, e.g., SciDB). In particular, we investigate the optimization of data placement and movement to effectively tackle the variety challenge, and boost the popularization of parallelization to address the volume challenge. Our goal is to enable high-performance interactive analysis for a good portion of geoscience data analysis exercise. We show that tightly coupled approaches can concentrate data traffic between local storage systems and compute units, and thereby optimizing bandwidth utilization to achieve a better throughput. Based on our observations, we develop a geoscience data analysis system that tightly couples analysis engines with storages, which has direct access to the detailed map of data partition locations. Through an innovation data partitioning and distribution scheme, our system has demonstrated scalable and interactive performance in real-world geoscience data analysis applications.

Constructing inverse probability weights for continuous exposures: a comparison of methods.

PubMed

Naimi, Ashley I; Moodie, Erica E M; Auger, Nathalie; Kaufman, Jay S

2014-03-01

Inverse probability-weighted marginal structural models with binary exposures are common in epidemiology. Constructing inverse probability weights for a continuous exposure can be complicated by the presence of outliers, and the need to identify a parametric form for the exposure and account for nonconstant exposure variance. We explored the performance of various methods to construct inverse probability weights for continuous exposures using Monte Carlo simulation. We generated two continuous exposures and binary outcomes using data sampled from a large empirical cohort. The first exposure followed a normal distribution with homoscedastic variance. The second exposure followed a contaminated Poisson distribution, with heteroscedastic variance equal to the conditional mean. We assessed six methods to construct inverse probability weights using: a normal distribution, a normal distribution with heteroscedastic variance, a truncated normal distribution with heteroscedastic variance, a gamma distribution, a t distribution (1, 3, and 5 degrees of freedom), and a quantile binning approach (based on 10, 15, and 20 exposure categories). We estimated the marginal odds ratio for a single-unit increase in each simulated exposure in a regression model weighted by the inverse probability weights constructed using each approach, and then computed the bias and mean squared error for each method. For the homoscedastic exposure, the standard normal, gamma, and quantile binning approaches performed best. For the heteroscedastic exposure, the quantile binning, gamma, and heteroscedastic normal approaches performed best. Our results suggest that the quantile binning approach is a simple and versatile way to construct inverse probability weights for continuous exposures.

Exact distribution of a pattern in a set of random sequences generated by a Markov source: applications to biological data

PubMed Central

2010-01-01

Background In bioinformatics it is common to search for a pattern of interest in a potentially large set of rather short sequences (upstream gene regions, proteins, exons, etc.). Although many methodological approaches allow practitioners to compute the distribution of a pattern count in a random sequence generated by a Markov source, no specific developments have taken into account the counting of occurrences in a set of independent sequences. We aim to address this problem by deriving efficient approaches and algorithms to perform these computations both for low and high complexity patterns in the framework of homogeneous or heterogeneous Markov models. Results The latest advances in the field allowed us to use a technique of optimal Markov chain embedding based on deterministic finite automata to introduce three innovative algorithms. Algorithm 1 is the only one able to deal with heterogeneous models. It also permits to avoid any product of convolution of the pattern distribution in individual sequences. When working with homogeneous models, Algorithm 2 yields a dramatic reduction in the complexity by taking advantage of previous computations to obtain moment generating functions efficiently. In the particular case of low or moderate complexity patterns, Algorithm 3 exploits power computation and binary decomposition to further reduce the time complexity to a logarithmic scale. All these algorithms and their relative interest in comparison with existing ones were then tested and discussed on a toy-example and three biological data sets: structural patterns in protein loop structures, PROSITE signatures in a bacterial proteome, and transcription factors in upstream gene regions. On these data sets, we also compared our exact approaches to the tempting approximation that consists in concatenating the sequences in the data set into a single sequence. Conclusions Our algorithms prove to be effective and able to handle real data sets with multiple sequences, as well as biological patterns of interest, even when the latter display a high complexity (PROSITE signatures for example). In addition, these exact algorithms allow us to avoid the edge effect observed under the single sequence approximation, which leads to erroneous results, especially when the marginal distribution of the model displays a slow convergence toward the stationary distribution. We end up with a discussion on our method and on its potential improvements. PMID:20205909

Exact distribution of a pattern in a set of random sequences generated by a Markov source: applications to biological data.

PubMed

Nuel, Gregory; Regad, Leslie; Martin, Juliette; Camproux, Anne-Claude

2010-01-26

In bioinformatics it is common to search for a pattern of interest in a potentially large set of rather short sequences (upstream gene regions, proteins, exons, etc.). Although many methodological approaches allow practitioners to compute the distribution of a pattern count in a random sequence generated by a Markov source, no specific developments have taken into account the counting of occurrences in a set of independent sequences. We aim to address this problem by deriving efficient approaches and algorithms to perform these computations both for low and high complexity patterns in the framework of homogeneous or heterogeneous Markov models. The latest advances in the field allowed us to use a technique of optimal Markov chain embedding based on deterministic finite automata to introduce three innovative algorithms. Algorithm 1 is the only one able to deal with heterogeneous models. It also permits to avoid any product of convolution of the pattern distribution in individual sequences. When working with homogeneous models, Algorithm 2 yields a dramatic reduction in the complexity by taking advantage of previous computations to obtain moment generating functions efficiently. In the particular case of low or moderate complexity patterns, Algorithm 3 exploits power computation and binary decomposition to further reduce the time complexity to a logarithmic scale. All these algorithms and their relative interest in comparison with existing ones were then tested and discussed on a toy-example and three biological data sets: structural patterns in protein loop structures, PROSITE signatures in a bacterial proteome, and transcription factors in upstream gene regions. On these data sets, we also compared our exact approaches to the tempting approximation that consists in concatenating the sequences in the data set into a single sequence. Our algorithms prove to be effective and able to handle real data sets with multiple sequences, as well as biological patterns of interest, even when the latter display a high complexity (PROSITE signatures for example). In addition, these exact algorithms allow us to avoid the edge effect observed under the single sequence approximation, which leads to erroneous results, especially when the marginal distribution of the model displays a slow convergence toward the stationary distribution. We end up with a discussion on our method and on its potential improvements.

A review of recent advances in the spherical harmonics expansion method for semiconductor device simulation.

PubMed

Rupp, K; Jungemann, C; Hong, S-M; Bina, M; Grasser, T; Jüngel, A

The Boltzmann transport equation is commonly considered to be the best semi-classical description of carrier transport in semiconductors, providing precise information about the distribution of carriers with respect to time (one dimension), location (three dimensions), and momentum (three dimensions). However, numerical solutions for the seven-dimensional carrier distribution functions are very demanding. The most common solution approach is the stochastic Monte Carlo method, because the gigabytes of memory requirements of deterministic direct solution approaches has not been available until recently. As a remedy, the higher accuracy provided by solutions of the Boltzmann transport equation is often exchanged for lower computational expense by using simpler models based on macroscopic quantities such as carrier density and mean carrier velocity. Recent developments for the deterministic spherical harmonics expansion method have reduced the computational cost for solving the Boltzmann transport equation, enabling the computation of carrier distribution functions even for spatially three-dimensional device simulations within minutes to hours. We summarize recent progress for the spherical harmonics expansion method and show that small currents, reasonable execution times, and rare events such as low-frequency noise, which are all hard or even impossible to simulate with the established Monte Carlo method, can be handled in a straight-forward manner. The applicability of the method for important practical applications is demonstrated for noise simulation, small-signal analysis, hot-carrier degradation, and avalanche breakdown.

A computational visual saliency model based on statistics and machine learning.

PubMed

Lin, Ru-Je; Lin, Wei-Song

2014-08-01

Identifying the type of stimuli that attracts human visual attention has been an appealing topic for scientists for many years. In particular, marking the salient regions in images is useful for both psychologists and many computer vision applications. In this paper, we propose a computational approach for producing saliency maps using statistics and machine learning methods. Based on four assumptions, three properties (Feature-Prior, Position-Prior, and Feature-Distribution) can be derived and combined by a simple intersection operation to obtain a saliency map. These properties are implemented by a similarity computation, support vector regression (SVR) technique, statistical analysis of training samples, and information theory using low-level features. This technique is able to learn the preferences of human visual behavior while simultaneously considering feature uniqueness. Experimental results show that our approach performs better in predicting human visual attention regions than 12 other models in two test databases. © 2014 ARVO.

Improving Resource Selection and Scheduling Using Predictions. Chapter 1

NASA Technical Reports Server (NTRS)

Smith, Warren

2003-01-01

The introduction of computational grids has resulted in several new problems in the area of scheduling that can be addressed using predictions. The first problem is selecting where to run an application on the many resources available in a grid. Our approach to help address this problem is to provide predictions of when an application would start to execute if submitted to specific scheduled computer systems. The second problem is gaining simultaneous access to multiple computer systems so that distributed applications can be executed. We help address this problem by investigating how to support advance reservations in local scheduling systems. Our approaches to both of these problems are based on predictions for the execution time of applications on space- shared parallel computers. As a side effect of this work, we also discuss how predictions of application run times can be used to improve scheduling performance.

Gibbs sampling on large lattice with GMRF

NASA Astrophysics Data System (ADS)

Marcotte, Denis; Allard, Denis

2018-02-01

Gibbs sampling is routinely used to sample truncated Gaussian distributions. These distributions naturally occur when associating latent Gaussian fields to category fields obtained by discrete simulation methods like multipoint, sequential indicator simulation and object-based simulation. The latent Gaussians are often used in data assimilation and history matching algorithms. When the Gibbs sampling is applied on a large lattice, the computing cost can become prohibitive. The usual practice of using local neighborhoods is unsatisfying as it can diverge and it does not reproduce exactly the desired covariance. A better approach is to use Gaussian Markov Random Fields (GMRF) which enables to compute the conditional distributions at any point without having to compute and invert the full covariance matrix. As the GMRF is locally defined, it allows simultaneous updating of all points that do not share neighbors (coding sets). We propose a new simultaneous Gibbs updating strategy on coding sets that can be efficiently computed by convolution and applied with an acceptance/rejection method in the truncated case. We study empirically the speed of convergence, the effect of choice of boundary conditions, of the correlation range and of GMRF smoothness. We show that the convergence is slower in the Gaussian case on the torus than for the finite case studied in the literature. However, in the truncated Gaussian case, we show that short scale correlation is quickly restored and the conditioning categories at each lattice point imprint the long scale correlation. Hence our approach enables to realistically apply Gibbs sampling on large 2D or 3D lattice with the desired GMRF covariance.

Airborne Intelligent Display (AID) Phase I Software Description,

DTIC Science & Technology

1983-10-24

Board Computer Characteristics 10 3.0 SOFTWARE GENERAL DESCRIPTION 13 3.1 Overview 13 3.2 System Software 14 3.2.1 System Startup 14 3.2.1.1 Initial...3 A-2 Task States A-4 A-3 Task Program Structure A-6 A-4 Task States and State Change Mechanisms A-7 A-5 Computing Return Addresses: RUNADR, SLPADR A...techniques. 2.2 Design Approach The stated objectives were met by: 1. distributing the processing load among multiple Z80 single-board computers (SBC’s). This

Using an architectural approach to integrate heterogeneous, distributed software components

NASA Technical Reports Server (NTRS)

Callahan, John R.; Purtilo, James M.

1995-01-01

Many computer programs cannot be easily integrated because their components are distributed and heterogeneous, i.e., they are implemented in diverse programming languages, use different data representation formats, or their runtime environments are incompatible. In many cases, programs are integrated by modifying their components or interposing mechanisms that handle communication and conversion tasks. For example, remote procedure call (RPC) helps integrate heterogeneous, distributed programs. When configuring such programs, however, mechanisms like RPC must be used explicitly by software developers in order to integrate collections of diverse components. Each collection may require a unique integration solution. This paper describes improvements to the concepts of software packaging and some of our experiences in constructing complex software systems from a wide variety of components in different execution environments. Software packaging is a process that automatically determines how to integrate a diverse collection of computer programs based on the types of components involved and the capabilities of available translators and adapters in an environment. Software packaging provides a context that relates such mechanisms to software integration processes and reduces the cost of configuring applications whose components are distributed or implemented in different programming languages. Our software packaging tool subsumes traditional integration tools like UNIX make by providing a rule-based approach to software integration that is independent of execution environments.

GeoBrain Computational Cyber-laboratory for Earth Science Studies

NASA Astrophysics Data System (ADS)

Deng, M.; di, L.

2009-12-01

Computational approaches (e.g., computer-based data visualization, analysis and modeling) are critical for conducting increasingly data-intensive Earth science (ES) studies to understand functions and changes of the Earth system. However, currently Earth scientists, educators, and students have met two major barriers that prevent them from being effectively using computational approaches in their learning, research and application activities. The two barriers are: 1) difficulties in finding, obtaining, and using multi-source ES data; and 2) lack of analytic functions and computing resources (e.g., analysis software, computing models, and high performance computing systems) to analyze the data. Taking advantages of recent advances in cyberinfrastructure, Web service, and geospatial interoperability technologies, GeoBrain, a project funded by NASA, has developed a prototype computational cyber-laboratory to effectively remove the two barriers. The cyber-laboratory makes ES data and computational resources at large organizations in distributed locations available to and easily usable by the Earth science community through 1) enabling seamless discovery, access and retrieval of distributed data, 2) federating and enhancing data discovery with a catalogue federation service and a semantically-augmented catalogue service, 3) customizing data access and retrieval at user request with interoperable, personalized, and on-demand data access and services, 4) automating or semi-automating multi-source geospatial data integration, 5) developing a large number of analytic functions as value-added, interoperable, and dynamically chainable geospatial Web services and deploying them in high-performance computing facilities, 6) enabling the online geospatial process modeling and execution, and 7) building a user-friendly extensible web portal for users to access the cyber-laboratory resources. Users can interactively discover the needed data and perform on-demand data analysis and modeling through the web portal. The GeoBrain cyber-laboratory provides solutions to meet common needs of ES research and education, such as, distributed data access and analysis services, easy access to and use of ES data, and enhanced geoprocessing and geospatial modeling capability. It greatly facilitates ES research, education, and applications. The development of the cyber-laboratory provides insights, lessons-learned, and technology readiness to build more capable computing infrastructure for ES studies, which can meet wide-range needs of current and future generations of scientists, researchers, educators, and students for their formal or informal educational training, research projects, career development, and lifelong learning.

Automatic data partitioning on distributed memory multicomputers. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Gupta, Manish

1992-01-01

Distributed-memory parallel computers are increasingly being used to provide high levels of performance for scientific applications. Unfortunately, such machines are not very easy to program. A number of research efforts seek to alleviate this problem by developing compilers that take over the task of generating communication. The communication overheads and the extent of parallelism exploited in the resulting target program are determined largely by the manner in which data is partitioned across different processors of the machine. Most of the compilers provide no assistance to the programmer in the crucial task of determining a good data partitioning scheme. A novel approach is presented, the constraints-based approach, to the problem of automatic data partitioning for numeric programs. In this approach, the compiler identifies some desirable requirements on the distribution of various arrays being referenced in each statement, based on performance considerations. These desirable requirements are referred to as constraints. For each constraint, the compiler determines a quality measure that captures its importance with respect to the performance of the program. The quality measure is obtained through static performance estimation, without actually generating the target data-parallel program with explicit communication. Each data distribution decision is taken by combining all the relevant constraints. The compiler attempts to resolve any conflicts between constraints such that the overall execution time of the parallel program is minimized. This approach has been implemented as part of a compiler called Paradigm, that accepts Fortran 77 programs, and specifies the partitioning scheme to be used for each array in the program. We have obtained results on some programs taken from the Linpack and Eispack libraries, and the Perfect Benchmarks. These results are quite promising, and demonstrate the feasibility of automatic data partitioning for a significant class of scientific application programs with regular computations.

Dataflow computing approach in high-speed digital simulation

NASA Technical Reports Server (NTRS)

Ercegovac, M. D.; Karplus, W. J.

1984-01-01

New computational tools and methodologies for the digital simulation of continuous systems were explored. Programmability, and cost effective performance in multiprocessor organizations for real time simulation was investigated. Approach is based on functional style languages and data flow computing principles, which allow for the natural representation of parallelism in algorithms and provides a suitable basis for the design of cost effective high performance distributed systems. The objectives of this research are to: (1) perform comparative evaluation of several existing data flow languages and develop an experimental data flow language suitable for real time simulation using multiprocessor systems; (2) investigate the main issues that arise in the architecture and organization of data flow multiprocessors for real time simulation; and (3) develop and apply performance evaluation models in typical applications.

On Improving Efficiency of Differential Evolution for Aerodynamic Shape Optimization Applications

NASA Technical Reports Server (NTRS)

Madavan, Nateri K.

2004-01-01

Differential Evolution (DE) is a simple and robust evolutionary strategy that has been proven effective in determining the global optimum for several difficult optimization problems. Although DE offers several advantages over traditional optimization approaches, its use in applications such as aerodynamic shape optimization where the objective function evaluations are computationally expensive is limited by the large number of function evaluations often required. In this paper various approaches for improving the efficiency of DE are reviewed and discussed. These approaches are implemented in a DE-based aerodynamic shape optimization method that uses a Navier-Stokes solver for the objective function evaluations. Parallelization techniques on distributed computers are used to reduce turnaround times. Results are presented for the inverse design of a turbine airfoil. The efficiency improvements achieved by the different approaches are evaluated and compared.

Comparison of algebraic and analytical approaches to the formulation of the statistical model-based reconstruction problem for X-ray computed tomography.

PubMed

Cierniak, Robert; Lorent, Anna

2016-09-01

The main aim of this paper is to investigate properties of our originally formulated statistical model-based iterative approach applied to the image reconstruction from projections problem which are related to its conditioning, and, in this manner, to prove a superiority of this approach over ones recently used by other authors. The reconstruction algorithm based on this conception uses a maximum likelihood estimation with an objective adjusted to the probability distribution of measured signals obtained from an X-ray computed tomography system with parallel beam geometry. The analysis and experimental results presented here show that our analytical approach outperforms the referential algebraic methodology which is explored widely in the literature and exploited in various commercial implementations. Copyright © 2016 Elsevier Ltd. All rights reserved.

Experimental analysis of bidirectional reflectance distribution function cross section conversion term in direction cosine space.

PubMed

Butler, Samuel D; Nauyoks, Stephen E; Marciniak, Michael A

2015-06-01

Of the many classes of bidirectional reflectance distribution function (BRDF) models, two popular classes of models are the microfacet model and the linear systems diffraction model. The microfacet model has the benefit of speed and simplicity, as it uses geometric optics approximations, while linear systems theory uses a diffraction approach to compute the BRDF, at the expense of greater computational complexity. In this Letter, nongrazing BRDF measurements of rough and polished surface-reflecting materials at multiple incident angles are scaled by the microfacet cross section conversion term, but in the linear systems direction cosine space, resulting in great alignment of BRDF data at various incident angles in this space. This results in a predictive BRDF model for surface-reflecting materials at nongrazing angles, while avoiding some of the computational complexities in the linear systems diffraction model.

A divide and conquer approach to the nonsymmetric eigenvalue problem

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

Jessup, E.R.

1991-01-01

Serial computation combined with high communication costs on distributed-memory multiprocessors make parallel implementations of the QR method for the nonsymmetric eigenvalue problem inefficient. This paper introduces an alternative algorithm for the nonsymmetric tridiagonal eigenvalue problem based on rank two tearing and updating of the matrix. The parallelism of this divide and conquer approach stems from independent solution of the updating problems. 11 refs.

A computer assisted intelligent storm outage evaluator for power distribution systems

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

Balakrishnan, R.; Pahwa, A.

1990-07-01

The lower voltage part of the power distribution system (primary and secondary sub-systems) does not have the provision for real-time status feedback, and as a result evaluation of outages is an extremely difficult task, especially during system emergencies caused by tornadoes and ice-storms. In this paper, a knowledge based approach is proposed for evaluation of storm related outages in the distribution systems. At the outset, binary voltage sensors capable of transmitting the real-time voltage on/off symptoms are recommended to be installed at strategic locations in the distribution system.

COMPUTER-AIDED DRUG DISCOVERY AND DEVELOPMENT (CADDD): in silico-chemico-biological approach

PubMed Central

Kapetanovic, I.M.

2008-01-01

It is generally recognized that drug discovery and development are very time and resources consuming processes. There is an ever growing effort to apply computational power to the combined chemical and biological space in order to streamline drug discovery, design, development and optimization. In biomedical arena, computer-aided or in silico design is being utilized to expedite and facilitate hit identification, hit-to-lead selection, optimize the absorption, distribution, metabolism, excretion and toxicity profile and avoid safety issues. Commonly used computational approaches include ligand-based drug design (pharmacophore, a 3-D spatial arrangement of chemical features essential for biological activity), structure-based drug design (drug-target docking), and quantitative structure-activity and quantitative structure-property relationships. Regulatory agencies as well as pharmaceutical industry are actively involved in development of computational tools that will improve effectiveness and efficiency of drug discovery and development process, decrease use of animals, and increase predictability. It is expected that the power of CADDD will grow as the technology continues to evolve. PMID:17229415

Aerodynamic analysis for aircraft with nacelles, pylons, and winglets at transonic speeds

NASA Technical Reports Server (NTRS)

Boppe, Charles W.

1987-01-01

A computational method has been developed to provide an analysis for complex realistic aircraft configurations at transonic speeds. Wing-fuselage configurations with various combinations of pods, pylons, nacelles, and winglets can be analyzed along with simpler shapes such as airfoils, isolated wings, and isolated bodies. The flexibility required for the treatment of such diverse geometries is obtained by using a multiple nested grid approach in the finite-difference relaxation scheme. Aircraft components (and their grid systems) can be added or removed as required. As a result, the computational method can be used in the same manner as a wind tunnel to study high-speed aerodynamic interference effects. The multiple grid approach also provides high boundary point density/cost ratio. High resolution pressure distributions can be obtained. Computed results are correlated with wind tunnel and flight data using four different transport configurations. Experimental/computational component interference effects are included for cases where data are available. The computer code used for these comparisons is described in the appendices.

Architectural Strategies for Enabling Data-Driven Science at Scale

NASA Astrophysics Data System (ADS)

Crichton, D. J.; Law, E. S.; Doyle, R. J.; Little, M. M.

2017-12-01

The analysis of large data collections from NASA or other agencies is often executed through traditional computational and data analysis approaches, which require users to bring data to their desktops and perform local data analysis. Alternatively, data are hauled to large computational environments that provide centralized data analysis via traditional High Performance Computing (HPC). Scientific data archives, however, are not only growing massive, but are also becoming highly distributed. Neither traditional approach provides a good solution for optimizing analysis into the future. Assumptions across the NASA mission and science data lifecycle, which historically assume that all data can be collected, transmitted, processed, and archived, will not scale as more capable instruments stress legacy-based systems. New paradigms are needed to increase the productivity and effectiveness of scientific data analysis. This paradigm must recognize that architectural and analytical choices are interrelated, and must be carefully coordinated in any system that aims to allow efficient, interactive scientific exploration and discovery to exploit massive data collections, from point of collection (e.g., onboard) to analysis and decision support. The most effective approach to analyzing a distributed set of massive data may involve some exploration and iteration, putting a premium on the flexibility afforded by the architectural framework. The framework should enable scientist users to assemble workflows efficiently, manage the uncertainties related to data analysis and inference, and optimize deep-dive analytics to enhance scalability. In many cases, this "data ecosystem" needs to be able to integrate multiple observing assets, ground environments, archives, and analytics, evolving from stewardship of measurements of data to using computational methodologies to better derive insight from the data that may be fused with other sets of data. This presentation will discuss architectural strategies, including a 2015-2016 NASA AIST Study on Big Data, for evolving scientific research towards massively distributed data-driven discovery. It will include example use cases across earth science, planetary science, and other disciplines.

Space Object Collision Probability via Monte Carlo on the Graphics Processing Unit

NASA Astrophysics Data System (ADS)

Vittaldev, Vivek; Russell, Ryan P.

2017-09-01

Fast and accurate collision probability computations are essential for protecting space assets. Monte Carlo (MC) simulation is the most accurate but computationally intensive method. A Graphics Processing Unit (GPU) is used to parallelize the computation and reduce the overall runtime. Using MC techniques to compute the collision probability is common in literature as the benchmark. An optimized implementation on the GPU, however, is a challenging problem and is the main focus of the current work. The MC simulation takes samples from the uncertainty distributions of the Resident Space Objects (RSOs) at any time during a time window of interest and outputs the separations at closest approach. Therefore, any uncertainty propagation method may be used and the collision probability is automatically computed as a function of RSO collision radii. Integration using a fixed time step and a quartic interpolation after every Runge Kutta step ensures that no close approaches are missed. Two orders of magnitude speedups over a serial CPU implementation are shown, and speedups improve moderately with higher fidelity dynamics. The tool makes the MC approach tractable on a single workstation, and can be used as a final product, or for verifying surrogate and analytical collision probability methods.

A gossip based information fusion protocol for distributed frequent itemset mining

NASA Astrophysics Data System (ADS)

Sohrabi, Mohammad Karim

2018-07-01

The computational complexity, huge memory space requirement, and time-consuming nature of frequent pattern mining process are the most important motivations for distribution and parallelization of this mining process. On the other hand, the emergence of distributed computational and operational environments, which causes the production and maintenance of data on different distributed data sources, makes the parallelization and distribution of the knowledge discovery process inevitable. In this paper, a gossip based distributed itemset mining (GDIM) algorithm is proposed to extract frequent itemsets, which are special types of frequent patterns, in a wireless sensor network environment. In this algorithm, local frequent itemsets of each sensor are extracted using a bit-wise horizontal approach (LHPM) from the nodes which are clustered using a leach-based protocol. Heads of clusters exploit a gossip based protocol in order to communicate each other to find the patterns which their global support is equal to or more than the specified support threshold. Experimental results show that the proposed algorithm outperforms the best existing gossip based algorithm in term of execution time.

Raney Distributions and Random Matrix Theory

NASA Astrophysics Data System (ADS)

Forrester, Peter J.; Liu, Dang-Zheng

2015-03-01

Recent works have shown that the family of probability distributions with moments given by the Fuss-Catalan numbers permit a simple parameterized form for their density. We extend this result to the Raney distribution which by definition has its moments given by a generalization of the Fuss-Catalan numbers. Such computations begin with an algebraic equation satisfied by the Stieltjes transform, which we show can be derived from the linear differential equation satisfied by the characteristic polynomial of random matrix realizations of the Raney distribution. For the Fuss-Catalan distribution, an equilibrium problem characterizing the density is identified. The Stieltjes transform for the limiting spectral density of the singular values squared of the matrix product formed from inverse standard Gaussian matrices, and standard Gaussian matrices, is shown to satisfy a variant of the algebraic equation relating to the Raney distribution. Supported on , we show that it too permits a simple functional form upon the introduction of an appropriate choice of parameterization. As an application, the leading asymptotic form of the density as the endpoints of the support are approached is computed, and is shown to have some universal features.

A distributed approach to the OPF problem

NASA Astrophysics Data System (ADS)

Erseghe, Tomaso

2015-12-01

This paper presents a distributed approach to optimal power flow (OPF) in an electrical network, suitable for application in a future smart grid scenario where access to resource and control is decentralized. The non-convex OPF problem is solved by an augmented Lagrangian method, similar to the widely known ADMM algorithm, with the key distinction that penalty parameters are constantly increased. A (weak) assumption on local solver reliability is required to always ensure convergence. A certificate of convergence to a local optimum is available in the case of bounded penalty parameters. For moderate sized networks (up to 300 nodes, and even in the presence of a severe partition of the network), the approach guarantees a performance very close to the optimum, with an appreciably fast convergence speed. The generality of the approach makes it applicable to any (convex or non-convex) distributed optimization problem in networked form. In the comparison with the literature, mostly focused on convex SDP approximations, the chosen approach guarantees adherence to the reference problem, and it also requires a smaller local computational complexity effort.

Open source tools for large-scale neuroscience.

PubMed

Freeman, Jeremy

2015-06-01

New technologies for monitoring and manipulating the nervous system promise exciting biology but pose challenges for analysis and computation. Solutions can be found in the form of modern approaches to distributed computing, machine learning, and interactive visualization. But embracing these new technologies will require a cultural shift: away from independent efforts and proprietary methods and toward an open source and collaborative neuroscience. Copyright © 2015 The Author. Published by Elsevier Ltd.. All rights reserved.

Remote voice training: A case study on space shuttle applications, appendix C

NASA Technical Reports Server (NTRS)

Mollakarimi, Cindy; Hamid, Tamin

1990-01-01

The Tile Automation System includes applications of automation and robotics technology to all aspects of the Shuttle tile processing and inspection system. An integrated set of rapid prototyping testbeds was developed which include speech recognition and synthesis, laser imaging systems, distributed Ada programming environments, distributed relational data base architectures, distributed computer network architectures, multi-media workbenches, and human factors considerations. Remote voice training in the Tile Automation System is discussed. The user is prompted over a headset by synthesized speech for the training sequences. The voice recognition units and the voice output units are remote from the user and are connected by Ethernet to the main computer system. A supervisory channel is used to monitor the training sequences. Discussions include the training approaches as well as the human factors problems and solutions for this system utilizing remote training techniques.

Virtual Observatory and Distributed Data Mining

NASA Astrophysics Data System (ADS)

Borne, Kirk D.

2012-03-01

New modes of discovery are enabled by the growth of data and computational resources (i.e., cyberinfrastructure) in the sciences. This cyberinfrastructure includes structured databases, virtual observatories (distributed data, as described in Section 20.2.1 of this chapter), high-performance computing (petascale machines), distributed computing (e.g., the Grid, the Cloud, and peer-to-peer networks), intelligent search and discovery tools, and innovative visualization environments. Data streams from experiments, sensors, and simulations are increasingly complex and growing in volume. This is true in most sciences, including astronomy, climate simulations, Earth observing systems, remote sensing data collections, and sensor networks. At the same time, we see an emerging confluence of new technologies and approaches to science, most clearly visible in the growing synergism of the four modes of scientific discovery: sensors-modeling-computing-data (Eastman et al. 2005). This has been driven by numerous developments, including the information explosion, development of large-array sensors, acceleration in high-performance computing (HPC) power, advances in algorithms, and efficient modeling techniques. Among these, the most extreme is the growth in new data. Specifically, the acquisition of data in all scientific disciplines is rapidly accelerating and causing a data glut (Bell et al. 2007). It has been estimated that data volumes double every year—for example, the NCSA (National Center for Supercomputing Applications) reported that their users cumulatively generated one petabyte of data over the first 19 years of NCSA operation, but they then generated their next one petabyte in the next year alone, and the data production has been growing by almost 100% each year after that (Butler 2008). The NCSA example is just one of many demonstrations of the exponential (annual data-doubling) growth in scientific data collections. In general, this putative data-doubling is an inevitable result of several compounding factors: the proliferation of data-generating devices, sensors, projects, and enterprises; the 18-month doubling of the digital capacity of these microprocessor-based sensors and devices (commonly referred to as "Moore’s law"); the move to digital for nearly all forms of information; the increase in human-generated data (both unstructured information on the web and structured data from experiments, models, and simulation); and the ever-expanding capability of higher density media to hold greater volumes of data (i.e., data production expands to fill the available storage space). These factors are consequently producing an exponential data growth rate, which will soon (if not already) become an insurmountable technical challenge even with the great advances in computation and algorithms. This technical challenge is compounded by the ever-increasing geographic dispersion of important data sources—the data collections are not stored uniformly at a single location, or with a single data model, or in uniform formats and modalities (e.g., images, databases, structured and unstructured files, and XML data sets)—the data are in fact large, distributed, heterogeneous, and complex. The greatest scientific research challenge with these massive distributed data collections is consequently extracting all of the rich information and knowledge content contained therein, thus requiring new approaches to scientific research. This emerging data-intensive and data-oriented approach to scientific research is sometimes called discovery informatics or X-informatics (where X can be any science, such as bio, geo, astro, chem, eco, or anything; Agresti 2003; Gray 2003; Borne 2010). This data-oriented approach to science is now recognized by some (e.g., Mahootian and Eastman 2009; Hey et al. 2009) as the fourth paradigm of research, following (historically) experiment/observation, modeling/analysis, and computational science.

Organization of the secure distributed computing based on multi-agent system

NASA Astrophysics Data System (ADS)

Khovanskov, Sergey; Rumyantsev, Konstantin; Khovanskova, Vera

2018-04-01

Nowadays developing methods for distributed computing is received much attention. One of the methods of distributed computing is using of multi-agent systems. The organization of distributed computing based on the conventional network computers can experience security threats performed by computational processes. Authors have developed the unified agent algorithm of control system of computing network nodes operation. Network PCs is used as computing nodes. The proposed multi-agent control system for the implementation of distributed computing allows in a short time to organize using of the processing power of computers any existing network to solve large-task by creating a distributed computing. Agents based on a computer network can: configure a distributed computing system; to distribute the computational load among computers operated agents; perform optimization distributed computing system according to the computing power of computers on the network. The number of computers connected to the network can be increased by connecting computers to the new computer system, which leads to an increase in overall processing power. Adding multi-agent system in the central agent increases the security of distributed computing. This organization of the distributed computing system reduces the problem solving time and increase fault tolerance (vitality) of computing processes in a changing computing environment (dynamic change of the number of computers on the network). Developed a multi-agent system detects cases of falsification of the results of a distributed system, which may lead to wrong decisions. In addition, the system checks and corrects wrong results.

Computing aggregate properties of preimages for 2D cellular automata.

PubMed

Beer, Randall D

2017-11-01

Computing properties of the set of precursors of a given configuration is a common problem underlying many important questions about cellular automata. Unfortunately, such computations quickly become intractable in dimension greater than one. This paper presents an algorithm-incremental aggregation-that can compute aggregate properties of the set of precursors exponentially faster than naïve approaches. The incremental aggregation algorithm is demonstrated on two problems from the two-dimensional binary Game of Life cellular automaton: precursor count distributions and higher-order mean field theory coefficients. In both cases, incremental aggregation allows us to obtain new results that were previously beyond reach.

High performance network and channel-based storage

NASA Technical Reports Server (NTRS)

Katz, Randy H.

1991-01-01

In the traditional mainframe-centered view of a computer system, storage devices are coupled to the system through complex hardware subsystems called input/output (I/O) channels. With the dramatic shift towards workstation-based computing, and its associated client/server model of computation, storage facilities are now found attached to file servers and distributed throughout the network. We discuss the underlying technology trends that are leading to high performance network-based storage, namely advances in networks, storage devices, and I/O controller and server architectures. We review several commercial systems and research prototypes that are leading to a new approach to high performance computing based on network-attached storage.

Computing aggregate properties of preimages for 2D cellular automata

NASA Astrophysics Data System (ADS)

Beer, Randall D.

2017-11-01

Computing properties of the set of precursors of a given configuration is a common problem underlying many important questions about cellular automata. Unfortunately, such computations quickly become intractable in dimension greater than one. This paper presents an algorithm—incremental aggregation—that can compute aggregate properties of the set of precursors exponentially faster than naïve approaches. The incremental aggregation algorithm is demonstrated on two problems from the two-dimensional binary Game of Life cellular automaton: precursor count distributions and higher-order mean field theory coefficients. In both cases, incremental aggregation allows us to obtain new results that were previously beyond reach.

Future in biomolecular computation

NASA Astrophysics Data System (ADS)

Wimmer, E.

1988-01-01

Large-scale computations for biomolecules are dominated by three levels of theory: rigorous quantum mechanical calculations for molecules with up to about 30 atoms, semi-empirical quantum mechanical calculations for systems with up to several hundred atoms, and force-field molecular dynamics studies of biomacromolecules with 10,000 atoms and more including surrounding solvent molecules. It can be anticipated that increased computational power will allow the treatment of larger systems of ever growing complexity. Due to the scaling of the computational requirements with increasing number of atoms, the force-field approaches will benefit the most from increased computational power. On the other hand, progress in methodologies such as density functional theory will enable us to treat larger systems on a fully quantum mechanical level and a combination of molecular dynamics and quantum mechanics can be envisioned. One of the greatest challenges in biomolecular computation is the protein folding problem. It is unclear at this point, if an approach with current methodologies will lead to a satisfactory answer or if unconventional, new approaches will be necessary. In any event, due to the complexity of biomolecular systems, a hierarchy of approaches will have to be established and used in order to capture the wide ranges of length-scales and time-scales involved in biological processes. In terms of hardware development, speed and power of computers will increase while the price/performance ratio will become more and more favorable. Parallelism can be anticipated to become an integral architectural feature in a range of computers. It is unclear at this point, how fast massively parallel systems will become easy enough to use so that new methodological developments can be pursued on such computers. Current trends show that distributed processing such as the combination of convenient graphics workstations and powerful general-purpose supercomputers will lead to a new style of computing in which the calculations are monitored and manipulated as they proceed. The combination of a numeric approach with artificial-intelligence approaches can be expected to open up entirely new possibilities. Ultimately, the most exciding aspect of the future in biomolecular computing will be the unexpected discoveries.

Computation of deuterium isotope perturbation of 13C NMR chemical shifts of alkanes: a local mode zero-point level approach.

PubMed

Yang, Kin S; Hudson, Bruce

2010-11-25

Replacement of H by D perturbs the (13)C NMR chemical shifts of an alkane molecule. This effect is largest for the carbon to which the D is attached, diminishing rapidly with intervening bonds. The effect is sensitive to stereochemistry and is large enough to be measured reliably. A simple model based on the ground (zero point) vibrational level and treating only the C-H(D) degrees of freedom (local mode approach) is presented. The change in CH bond length with H/D substitution as well as the reduction in the range of the zero-point level probability distribution for the stretch and both bend degrees of freedom are computed. The (13)C NMR chemical shifts are computed with variation in these three degrees of freedom, and the results are averaged with respect to the H and D distribution functions. The resulting differences in the zero-point averaged chemical shifts are compared with experimental values of the H/D shifts for a series of cycloalkanes, norbornane, adamantane, and protoadamantane. Agreement is generally very good. The remaining differences are discussed. The proton spectrum of cyclohexane- is revisited and updated with improved agreement with experiment.

Fast Determination of Distribution-Connected PV Impacts Using a Variable Time-Step Quasi-Static Time-Series Approach: Preprint

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

Mather, Barry

The increasing deployment of distribution-connected photovoltaic (DPV) systems requires utilities to complete complex interconnection studies. Relatively simple interconnection study methods worked well for low penetrations of photovoltaic systems, but more complicated quasi-static time-series (QSTS) analysis is required to make better interconnection decisions as DPV penetration levels increase. Tools and methods must be developed to support this. This paper presents a variable-time-step solver for QSTS analysis that significantly shortens the computational time and effort to complete a detailed analysis of the operation of a distribution circuit with many DPV systems. Specifically, it demonstrates that the proposed variable-time-step solver can reduce themore » required computational time by as much as 84% without introducing any important errors to metrics, such as the highest and lowest voltage occurring on the feeder, number of voltage regulator tap operations, and total amount of losses realized in the distribution circuit during a 1-yr period. Further improvement in computational speed is possible with the introduction of only modest errors in these metrics, such as a 91 percent reduction with less than 5 percent error when predicting voltage regulator operations.« less

Probabilistic graphs as a conceptual and computational tool in hydrology and water management

NASA Astrophysics Data System (ADS)

Schoups, Gerrit

2014-05-01

Originally developed in the fields of machine learning and artificial intelligence, probabilistic graphs constitute a general framework for modeling complex systems in the presence of uncertainty. The framework consists of three components: 1. Representation of the model as a graph (or network), with nodes depicting random variables in the model (e.g. parameters, states, etc), which are joined together by factors. Factors are local probabilistic or deterministic relations between subsets of variables, which, when multiplied together, yield the joint distribution over all variables. 2. Consistent use of probability theory for quantifying uncertainty, relying on basic rules of probability for assimilating data into the model and expressing unknown variables as a function of observations (via the posterior distribution). 3. Efficient, distributed approximation of the posterior distribution using general-purpose algorithms that exploit model structure encoded in the graph. These attributes make probabilistic graphs potentially useful as a conceptual and computational tool in hydrology and water management (and beyond). Conceptually, they can provide a common framework for existing and new probabilistic modeling approaches (e.g. by drawing inspiration from other fields of application), while computationally they can make probabilistic inference feasible in larger hydrological models. The presentation explores, via examples, some of these benefits.

Mapping Agricultural Fields in Sub-Saharan Africa with a Computer Vision Approach

NASA Astrophysics Data System (ADS)

Debats, S. R.; Luo, D.; Estes, L. D.; Fuchs, T.; Caylor, K. K.

2014-12-01

Sub-Saharan Africa is an important focus for food security research, because it is experiencing unprecedented population growth, agricultural activities are largely dominated by smallholder production, and the region is already home to 25% of the world's undernourished. One of the greatest challenges to monitoring and improving food security in this region is obtaining an accurate accounting of the spatial distribution of agriculture. Households are the primary units of agricultural production in smallholder communities and typically rely on small fields of less than 2 hectares. Field sizes are directly related to household crop productivity, management choices, and adoption of new technologies. As population and agriculture expand, it becomes increasingly important to understand both the distribution of field sizes as well as how agricultural communities are spatially embedded in the landscape. In addition, household surveys, a common tool for tracking agricultural productivity in Sub-Saharan Africa, would greatly benefit from spatially explicit accounting of fields. Current gridded land cover data sets do not provide information on individual agricultural fields or the distribution of field sizes. Therefore, we employ cutting edge approaches from the field of computer vision to map fields across Sub-Saharan Africa, including semantic segmentation, discriminative classifiers, and automatic feature selection. Our approach aims to not only improve the binary classification accuracy of cropland, but also to isolate distinct fields, thereby capturing crucial information on size and geometry. Our research focuses on the development of descriptive features across scales to increase the accuracy and geographic range of our computer vision algorithm. Relevant data sets include high-resolution remote sensing imagery and Landsat (30-m) multi-spectral imagery. Training data for field boundaries is derived from hand-digitized data sets as well as crowdsourcing.

Bayesian hierarchical functional data analysis via contaminated informative priors.

PubMed

Scarpa, Bruno; Dunson, David B

2009-09-01

A variety of flexible approaches have been proposed for functional data analysis, allowing both the mean curve and the distribution about the mean to be unknown. Such methods are most useful when there is limited prior information. Motivated by applications to modeling of temperature curves in the menstrual cycle, this article proposes a flexible approach for incorporating prior information in semiparametric Bayesian analyses of hierarchical functional data. The proposed approach is based on specifying the distribution of functions as a mixture of a parametric hierarchical model and a nonparametric contamination. The parametric component is chosen based on prior knowledge, while the contamination is characterized as a functional Dirichlet process. In the motivating application, the contamination component allows unanticipated curve shapes in unhealthy menstrual cycles. Methods are developed for posterior computation, and the approach is applied to data from a European fecundability study.

Network Security Validation Using Game Theory

NASA Astrophysics Data System (ADS)

Papadopoulou, Vicky; Gregoriades, Andreas

Non-functional requirements (NFR) such as network security recently gained widespread attention in distributed information systems. Despite their importance however, there is no systematic approach to validate these requirements given the complexity and uncertainty characterizing modern networks. Traditionally, network security requirements specification has been the results of a reactive process. This however, limited the immunity property of the distributed systems that depended on these networks. Security requirements specification need a proactive approach. Networks' infrastructure is constantly under attack by hackers and malicious software that aim to break into computers. To combat these threats, network designers need sophisticated security validation techniques that will guarantee the minimum level of security for their future networks. This paper presents a game-theoretic approach to security requirements validation. An introduction to game theory is presented along with an example that demonstrates the application of the approach.

Computing and Visualizing Reachable Volumes for Maneuvering Satellites

NASA Astrophysics Data System (ADS)

Jiang, M.; de Vries, W.; Pertica, A.; Olivier, S.

2011-09-01

Detecting and predicting maneuvering satellites is an important problem for Space Situational Awareness. The spatial envelope of all possible locations within reach of such a maneuvering satellite is known as the Reachable Volume (RV). As soon as custody of a satellite is lost, calculating the RV and its subsequent time evolution is a critical component in the rapid recovery of the satellite. In this paper, we present a Monte Carlo approach to computing the RV for a given object. Essentially, our approach samples all possible trajectories by randomizing thrust-vectors, thrust magnitudes and time of burn. At any given instance, the distribution of the "point-cloud" of the virtual particles defines the RV. For short orbital time-scales, the temporal evolution of the point-cloud can result in complex, multi-reentrant manifolds. Visualization plays an important role in gaining insight and understanding into this complex and evolving manifold. In the second part of this paper, we focus on how to effectively visualize the large number of virtual trajectories and the computed RV. We present a real-time out-of-core rendering technique for visualizing the large number of virtual trajectories. We also examine different techniques for visualizing the computed volume of probability density distribution, including volume slicing, convex hull and isosurfacing. We compare and contrast these techniques in terms of computational cost and visualization effectiveness, and describe the main implementation issues encountered during our development process. Finally, we will present some of the results from our end-to-end system for computing and visualizing RVs using examples of maneuvering satellites.

An Approach to Knowledge-Directed Image Analysis,

DTIC Science & Technology

1977-09-01

34AN APPROACH TO KNOWLEDGE -DIRECTED IMAGE ANALYSIS D.H. Ballard, C.M.’Brown, J.A. Feldman Computer Science Department iThe University of Rochester...Rochester, New York 14627 DTII EECTE UTIC FILE COPY o n I, n 83 - ’ f t 8 11 28 19 1f.. AN APPROACH TO KNOWLEDGE -DIRECTED IMAGE ANALYSIS 5*., D.H...semantic network model and a distributed control structure to accomplish the image analysis process. The process of " understanding an image" leads to

Brain tissues volume measurements from 2D MRI using parametric approach

NASA Astrophysics Data System (ADS)

L'vov, A. A.; Toropova, O. A.; Litovka, Yu. V.

2018-04-01

The purpose of the paper is to propose a fully automated method of volume assessment of structures within human brain. Our statistical approach uses maximum interdependency principle for decision making process of measurements consistency and unequal observations. Detecting outliers performed using maximum normalized residual test. We propose a statistical model which utilizes knowledge of tissues distribution in human brain and applies partial data restoration for precision improvement. The approach proposes completed computationally efficient and independent from segmentation algorithm used in the application.

Evaluation of a Multicore-Optimized Implementation for Tomographic Reconstruction

PubMed Central

Agulleiro, Jose-Ignacio; Fernández, José Jesús

2012-01-01

Tomography allows elucidation of the three-dimensional structure of an object from a set of projection images. In life sciences, electron microscope tomography is providing invaluable information about the cell structure at a resolution of a few nanometres. Here, large images are required to combine wide fields of view with high resolution requirements. The computational complexity of the algorithms along with the large image size then turns tomographic reconstruction into a computationally demanding problem. Traditionally, high-performance computing techniques have been applied to cope with such demands on supercomputers, distributed systems and computer clusters. In the last few years, the trend has turned towards graphics processing units (GPUs). Here we present a detailed description and a thorough evaluation of an alternative approach that relies on exploitation of the power available in modern multicore computers. The combination of single-core code optimization, vector processing, multithreading and efficient disk I/O operations succeeds in providing fast tomographic reconstructions on standard computers. The approach turns out to be competitive with the fastest GPU-based solutions thus far. PMID:23139768

Model error estimation for distributed systems described by elliptic equations

NASA Technical Reports Server (NTRS)

Rodriguez, G.

1983-01-01

A function space approach is used to develop a theory for estimation of the errors inherent in an elliptic partial differential equation model for a distributed parameter system. By establishing knowledge of the inevitable deficiencies in the model, the error estimates provide a foundation for updating the model. The function space solution leads to a specification of a method for computation of the model error estimates and development of model error analysis techniques for comparison between actual and estimated errors. The paper summarizes the model error estimation approach as well as an application arising in the area of modeling for static shape determination of large flexible systems.

Adaptive Load-Balancing Algorithms using Symmetric Broadcast Networks

NASA Technical Reports Server (NTRS)

Das, Sajal K.; Harvey, Daniel J.; Biswas, Rupak; Biegel, Bryan A. (Technical Monitor)

2002-01-01

In a distributed computing environment, it is important to ensure that the processor workloads are adequately balanced, Among numerous load-balancing algorithms, a unique approach due to Das and Prasad defines a symmetric broadcast network (SBN) that provides a robust communication pattern among the processors in a topology-independent manner. In this paper, we propose and analyze three efficient SBN-based dynamic load-balancing algorithms, and implement them on an SGI Origin2000. A thorough experimental study with Poisson distributed synthetic loads demonstrates that our algorithms are effective in balancing system load. By optimizing completion time and idle time, the proposed algorithms are shown to compare favorably with several existing approaches.

Implementation of a fully-balanced periodic tridiagonal solver on a parallel distributed memory architecture

NASA Technical Reports Server (NTRS)

Eidson, T. M.; Erlebacher, G.

1994-01-01

While parallel computers offer significant computational performance, it is generally necessary to evaluate several programming strategies. Two programming strategies for a fairly common problem - a periodic tridiagonal solver - are developed and evaluated. Simple model calculations as well as timing results are presented to evaluate the various strategies. The particular tridiagonal solver evaluated is used in many computational fluid dynamic simulation codes. The feature that makes this algorithm unique is that these simulation codes usually require simultaneous solutions for multiple right-hand-sides (RHS) of the system of equations. Each RHS solutions is independent and thus can be computed in parallel. Thus a Gaussian elimination type algorithm can be used in a parallel computation and the more complicated approaches such as cyclic reduction are not required. The two strategies are a transpose strategy and a distributed solver strategy. For the transpose strategy, the data is moved so that a subset of all the RHS problems is solved on each of the several processors. This usually requires significant data movement between processor memories across a network. The second strategy attempts to have the algorithm allow the data across processor boundaries in a chained manner. This usually requires significantly less data movement. An approach to accomplish this second strategy in a near-perfect load-balanced manner is developed. In addition, an algorithm will be shown to directly transform a sequential Gaussian elimination type algorithm into the parallel chained, load-balanced algorithm.

Derivation of Hunt equation for suspension distribution using Shannon entropy theory

NASA Astrophysics Data System (ADS)

Kundu, Snehasis

2017-12-01

In this study, the Hunt equation for computing suspension concentration in sediment-laden flows is derived using Shannon entropy theory. Considering the inverse of the void ratio as a random variable and using principle of maximum entropy, probability density function and cumulative distribution function of suspension concentration is derived. A new and more general cumulative distribution function for the flow domain is proposed which includes several specific other models of CDF reported in literature. This general form of cumulative distribution function also helps to derive the Rouse equation. The entropy based approach helps to estimate model parameters using suspension data of sediment concentration which shows the advantage of using entropy theory. Finally model parameters in the entropy based model are also expressed as functions of the Rouse number to establish a link between the parameters of the deterministic and probabilistic approaches.

Multiscale modeling of porous ceramics using movable cellular automaton method

NASA Astrophysics Data System (ADS)

Smolin, Alexey Yu.; Smolin, Igor Yu.; Smolina, Irina Yu.

2017-10-01

The paper presents a multiscale model for porous ceramics based on movable cellular automaton method, which is a particle method in novel computational mechanics of solid. The initial scale of the proposed approach corresponds to the characteristic size of the smallest pores in the ceramics. At this scale, we model uniaxial compression of several representative samples with an explicit account of pores of the same size but with the unique position in space. As a result, we get the average values of Young's modulus and strength, as well as the parameters of the Weibull distribution of these properties at the current scale level. These data allow us to describe the material behavior at the next scale level were only the larger pores are considered explicitly, while the influence of small pores is included via effective properties determined earliar. If the pore size distribution function of the material has N maxima we need to perform computations for N-1 levels in order to get the properties step by step from the lowest scale up to the macroscale. The proposed approach was applied to modeling zirconia ceramics with bimodal pore size distribution. The obtained results show correct behavior of the model sample at the macroscale.

Estimation of electrical conductivity distribution within the human head from magnetic flux density measurement.

PubMed

Gao, Nuo; Zhu, S A; He, Bin

2005-06-07

We have developed a new algorithm for magnetic resonance electrical impedance tomography (MREIT), which uses only one component of the magnetic flux density to reconstruct the electrical conductivity distribution within the body. The radial basis function (RBF) network and simplex method are used in the present approach to estimate the conductivity distribution by minimizing the errors between the 'measured' and model-predicted magnetic flux densities. Computer simulations were conducted in a realistic-geometry head model to test the feasibility of the proposed approach. Single-variable and three-variable simulations were performed to estimate the brain-skull conductivity ratio and the conductivity values of the brain, skull and scalp layers. When SNR = 15 for magnetic flux density measurements with the target skull-to-brain conductivity ratio being 1/15, the relative error (RE) between the target and estimated conductivity was 0.0737 +/- 0.0746 in the single-variable simulations. In the three-variable simulations, the RE was 0.1676 +/- 0.0317. Effects of electrode position uncertainty were also assessed by computer simulations. The present promising results suggest the feasibility of estimating important conductivity values within the head from noninvasive magnetic flux density measurements.

A Theoretical Approach to Analyze the Parametric Influence on Spatial Patterns of Spodoptera frugiperda (J.E. Smith) (Lepidoptera: Noctuidae) Populations.

PubMed

Garcia, A G; Godoy, W A C

2017-06-01

Studies of the influence of biological parameters on the spatial distribution of lepidopteran insects can provide useful information for managing agricultural pests, since the larvae of many species cause serious impacts on crops. Computational models to simulate the spatial dynamics of insect populations are increasingly used, because of their efficiency in representing insect movement. In this study, we used a cellular automata model to explore different patterns of population distribution of Spodoptera frugiperda (J.E. Smith) (Lepidoptera: Noctuidae), when the values of two biological parameters that are able to influence the spatial pattern (larval viability and adult longevity) are varied. We mapped the spatial patterns observed as the parameters varied. Additionally, by using population data for S. frugiperda obtained in different hosts under laboratory conditions, we were able to describe the expected spatial patterns occurring in corn, cotton, millet, and soybean crops based on the parameters varied. The results are discussed from the perspective of insect ecology and pest management. We concluded that computational approaches can be important tools to study the relationship between the biological parameters and spatial distributions of lepidopteran insect pests.

Computationally efficient approach for solving time dependent diffusion equation with discrete temporal convolution applied to granular particles of battery electrodes

NASA Astrophysics Data System (ADS)

Senegačnik, Jure; Tavčar, Gregor; Katrašnik, Tomaž

2015-03-01

The paper presents a computationally efficient method for solving the time dependent diffusion equation in a granule of the Li-ion battery's granular solid electrode. The method, called Discrete Temporal Convolution method (DTC), is based on a discrete temporal convolution of the analytical solution of the step function boundary value problem. This approach enables modelling concentration distribution in the granular particles for arbitrary time dependent exchange fluxes that do not need to be known a priori. It is demonstrated in the paper that the proposed method features faster computational times than finite volume/difference methods and Padé approximation at the same accuracy of the results. It is also demonstrated that all three addressed methods feature higher accuracy compared to the quasi-steady polynomial approaches when applied to simulate the current densities variations typical for mobile/automotive applications. The proposed approach can thus be considered as one of the key innovative methods enabling real-time capability of the multi particle electrochemical battery models featuring spatial and temporal resolved particle concentration profiles.

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.

Assessment of Microphysical Models in the National Combustion Code (NCC) for Aircraft Particulate Emissions: Particle Loss in Sampling Lines

NASA Technical Reports Server (NTRS)

Wey, Thomas; Liu, Nan-Suey

2008-01-01

This paper at first describes the fluid network approach recently implemented into the National Combustion Code (NCC) for the simulation of transport of aerosols (volatile particles and soot) in the particulate sampling systems. This network-based approach complements the other two approaches already in the NCC, namely, the lower-order temporal approach and the CFD-based approach. The accuracy and the computational costs of these three approaches are then investigated in terms of their application to the prediction of particle losses through sample transmission and distribution lines. Their predictive capabilities are assessed by comparing the computed results with the experimental data. The present work will help establish standard methodologies for measuring the size and concentration of particles in high-temperature, high-velocity jet engine exhaust. Furthermore, the present work also represents the first step of a long term effort of validating physics-based tools for the prediction of aircraft particulate emissions.

Identification of transmissivity fields using a Bayesian strategy and perturbative approach

NASA Astrophysics Data System (ADS)

Zanini, Andrea; Tanda, Maria Giovanna; Woodbury, Allan D.

2017-10-01

The paper deals with the crucial problem of the groundwater parameter estimation that is the basis for efficient modeling and reclamation activities. A hierarchical Bayesian approach is developed: it uses the Akaike's Bayesian Information Criteria in order to estimate the hyperparameters (related to the covariance model chosen) and to quantify the unknown noise variance. The transmissivity identification proceeds in two steps: the first, called empirical Bayesian interpolation, uses Y* (Y = lnT) observations to interpolate Y values on a specified grid; the second, called empirical Bayesian update, improve the previous Y estimate through the addition of hydraulic head observations. The relationship between the head and the lnT has been linearized through a perturbative solution of the flow equation. In order to test the proposed approach, synthetic aquifers from literature have been considered. The aquifers in question contain a variety of boundary conditions (both Dirichelet and Neuman type) and scales of heterogeneities (σY2 = 1.0 and σY2 = 5.3). The estimated transmissivity fields were compared to the true one. The joint use of Y* and head measurements improves the estimation of Y considering both degrees of heterogeneity. Even if the variance of the strong transmissivity field can be considered high for the application of the perturbative approach, the results show the same order of approximation of the non-linear methods proposed in literature. The procedure allows to compute the posterior probability distribution of the target quantities and to quantify the uncertainty in the model prediction. Bayesian updating has advantages related both to the Monte-Carlo (MC) and non-MC approaches. In fact, as the MC methods, Bayesian updating allows computing the direct posterior probability distribution of the target quantities and as non-MC methods it has computational times in the order of seconds.

Workflow Management Systems for Molecular Dynamics on Leadership Computers

NASA Astrophysics Data System (ADS)

Wells, Jack; Panitkin, Sergey; Oleynik, Danila; Jha, Shantenu

Molecular Dynamics (MD) simulations play an important role in a range of disciplines from Material Science to Biophysical systems and account for a large fraction of cycles consumed on computing resources. Increasingly science problems require the successful execution of ''many'' MD simulations as opposed to a single MD simulation. There is a need to provide scalable and flexible approaches to the execution of the workload. We present preliminary results on the Titan computer at the Oak Ridge Leadership Computing Facility that demonstrate a general capability to manage workload execution agnostic of a specific MD simulation kernel or execution pattern, and in a manner that integrates disparate grid-based and supercomputing resources. Our results build upon our extensive experience of distributed workload management in the high-energy physics ATLAS project using PanDA (Production and Distributed Analysis System), coupled with recent conceptual advances in our understanding of workload management on heterogeneous resources. We will discuss how we will generalize these initial capabilities towards a more production level service on DOE leadership resources. This research is sponsored by US DOE/ASCR and used resources of the OLCF computing facility.

Chasing a Fault across Ship and Shore

ERIC Educational Resources Information Center

Evans, Michael A.; Schwen, Thomas M.

2006-01-01

Knowledge management (KM) in the U.S. Navy is championed as a strategic initiative to improve shipboard maintenance and troubleshooting at a distance. The approach requires capturing, coordinating, and distributing domain expertise in electronics and computer engineering via advanced information and communication technologies. Coordination must be…

Improved Test Planning and Analysis Through the Use of Advanced Statistical Methods

NASA Technical Reports Server (NTRS)

Green, Lawrence L.; Maxwell, Katherine A.; Glass, David E.; Vaughn, Wallace L.; Barger, Weston; Cook, Mylan

2016-01-01

The goal of this work is, through computational simulations, to provide statistically-based evidence to convince the testing community that a distributed testing approach is superior to a clustered testing approach for most situations. For clustered testing, numerous, repeated test points are acquired at a limited number of test conditions. For distributed testing, only one or a few test points are requested at many different conditions. The statistical techniques of Analysis of Variance (ANOVA), Design of Experiments (DOE) and Response Surface Methods (RSM) are applied to enable distributed test planning, data analysis and test augmentation. The D-Optimal class of DOE is used to plan an optimally efficient single- and multi-factor test. The resulting simulated test data are analyzed via ANOVA and a parametric model is constructed using RSM. Finally, ANOVA can be used to plan a second round of testing to augment the existing data set with new data points. The use of these techniques is demonstrated through several illustrative examples. To date, many thousands of comparisons have been performed and the results strongly support the conclusion that the distributed testing approach outperforms the clustered testing approach.

A Distributed Approach to System-Level Prognostics

DTIC Science & Technology

2012-09-01

the end of (useful) life ( EOL ) and/or the remaining useful life (RUL) of components, subsystems, or systems. The prognostics problem itself can be...system state estimate, computes EOL and/or RUL. In this paper, we focus on a model-based prognostics approach (Orchard & Vachtse- vanos, 2009; Daigle...been focused on individual components, and determining their EOL and RUL, e.g., (Orchard & Vachtsevanos, 2009; Saha & Goebel, 2009; Daigle & Goebel

Introduction: The SERENITY vision

NASA Astrophysics Data System (ADS)

Maña, Antonio; Spanoudakis, George; Kokolakis, Spyros

In this chapter we present an overview of the SERENITY approach. We describe the SERENITY model of secure and dependable applications and show how it addresses the challenge of developing, integrating and dynamically maintaining security and dependability mechanisms in open, dynamic, distributed and heterogeneous computing systems and in particular Ambient Intelligence scenarios. The chapter describes the basic concepts used in the approach and introduces the different processes supported by SERENITY, along with the tools provided.

An adaptive Gaussian process-based method for efficient Bayesian experimental design in groundwater contaminant source identification problems: ADAPTIVE GAUSSIAN PROCESS-BASED INVERSION

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

Zhang, Jiangjiang; Li, Weixuan; Zeng, Lingzao

Surrogate models are commonly used in Bayesian approaches such as Markov Chain Monte Carlo (MCMC) to avoid repetitive CPU-demanding model evaluations. However, the approximation error of a surrogate may lead to biased estimations of the posterior distribution. This bias can be corrected by constructing a very accurate surrogate or implementing MCMC in a two-stage manner. Since the two-stage MCMC requires extra original model evaluations, the computational cost is still high. If the information of measurement is incorporated, a locally accurate approximation of the original model can be adaptively constructed with low computational cost. Based on this idea, we propose amore » Gaussian process (GP) surrogate-based Bayesian experimental design and parameter estimation approach for groundwater contaminant source identification problems. A major advantage of the GP surrogate is that it provides a convenient estimation of the approximation error, which can be incorporated in the Bayesian formula to avoid over-confident estimation of the posterior distribution. The proposed approach is tested with a numerical case study. Without sacrificing the estimation accuracy, the new approach achieves about 200 times of speed-up compared to our previous work using two-stage MCMC.« less

StrAuto: automation and parallelization of STRUCTURE analysis.

PubMed

Chhatre, Vikram E; Emerson, Kevin J

2017-03-24

Population structure inference using the software STRUCTURE has become an integral part of population genetic studies covering a broad spectrum of taxa including humans. The ever-expanding size of genetic data sets poses computational challenges for this analysis. Although at least one tool currently implements parallel computing to reduce computational overload of this analysis, it does not fully automate the use of replicate STRUCTURE analysis runs required for downstream inference of optimal K. There is pressing need for a tool that can deploy population structure analysis on high performance computing clusters. We present an updated version of the popular Python program StrAuto, to streamline population structure analysis using parallel computing. StrAuto implements a pipeline that combines STRUCTURE analysis with the Evanno Δ K analysis and visualization of results using STRUCTURE HARVESTER. Using benchmarking tests, we demonstrate that StrAuto significantly reduces the computational time needed to perform iterative STRUCTURE analysis by distributing runs over two or more processors. StrAuto is the first tool to integrate STRUCTURE analysis with post-processing using a pipeline approach in addition to implementing parallel computation - a set up ideal for deployment on computing clusters. StrAuto is distributed under the GNU GPL (General Public License) and available to download from http://strauto.popgen.org .

Isolating specific cell and tissue compartments from 3D images for quantitative regional distribution analysis using novel computer algorithms.

PubMed

Fenrich, Keith K; Zhao, Ethan Y; Wei, Yuan; Garg, Anirudh; Rose, P Ken

2014-04-15

Isolating specific cellular and tissue compartments from 3D image stacks for quantitative distribution analysis is crucial for understanding cellular and tissue physiology under normal and pathological conditions. Current approaches are limited because they are designed to map the distributions of synapses onto the dendrites of stained neurons and/or require specific proprietary software packages for their implementation. To overcome these obstacles, we developed algorithms to Grow and Shrink Volumes of Interest (GSVI) to isolate specific cellular and tissue compartments from 3D image stacks for quantitative analysis and incorporated these algorithms into a user-friendly computer program that is open source and downloadable at no cost. The GSVI algorithm was used to isolate perivascular regions in the cortex of live animals and cell membrane regions of stained spinal motoneurons in histological sections. We tracked the real-time, intravital biodistribution of injected fluorophores with sub-cellular resolution from the vascular lumen to the perivascular and parenchymal space following a vascular microlesion, and mapped the precise distributions of membrane-associated KCC2 and gephyrin immunolabeling in dendritic and somatic regions of spinal motoneurons. Compared to existing approaches, the GSVI approach is specifically designed for isolating perivascular regions and membrane-associated regions for quantitative analysis, is user-friendly, and free. The GSVI algorithm is useful to quantify regional differences of stained biomarkers (e.g., cell membrane-associated channels) in relation to cell functions, and the effects of therapeutic strategies on the redistributions of biomolecules, drugs, and cells in diseased or injured tissues. Copyright © 2014 Elsevier B.V. All rights reserved.

Real-time inversions for finite fault slip models and rupture geometry based on high-rate GPS data

USGS Publications Warehouse

Minson, Sarah E.; Murray, Jessica R.; Langbein, John O.; Gomberg, Joan S.

2015-01-01

We present an inversion strategy capable of using real-time high-rate GPS data to simultaneously solve for a distributed slip model and fault geometry in real time as a rupture unfolds. We employ Bayesian inference to find the optimal fault geometry and the distribution of possible slip models for that geometry using a simple analytical solution. By adopting an analytical Bayesian approach, we can solve this complex inversion problem (including calculating the uncertainties on our results) in real time. Furthermore, since the joint inversion for distributed slip and fault geometry can be computed in real time, the time required to obtain a source model of the earthquake does not depend on the computational cost. Instead, the time required is controlled by the duration of the rupture and the time required for information to propagate from the source to the receivers. We apply our modeling approach, called Bayesian Evidence-based Fault Orientation and Real-time Earthquake Slip, to the 2011 Tohoku-oki earthquake, 2003 Tokachi-oki earthquake, and a simulated Hayward fault earthquake. In all three cases, the inversion recovers the magnitude, spatial distribution of slip, and fault geometry in real time. Since our inversion relies on static offsets estimated from real-time high-rate GPS data, we also present performance tests of various approaches to estimating quasi-static offsets in real time. We find that the raw high-rate time series are the best data to use for determining the moment magnitude of the event, but slightly smoothing the raw time series helps stabilize the inversion for fault geometry.

Transplantation and tracking of human-induced pluripotent stem cells in a pig model of myocardial infarction: assessment of cell survival, engraftment, and distribution by hybrid single photon emission computed tomography/computed tomography of sodium iodide symporter transgene expression.

PubMed

Templin, Christian; Zweigerdt, Robert; Schwanke, Kristin; Olmer, Ruth; Ghadri, Jelena-Rima; Emmert, Maximilian Y; Müller, Ennio; Küest, Silke M; Cohrs, Susan; Schibli, Roger; Kronen, Peter; Hilbe, Monika; Reinisch, Andreas; Strunk, Dirk; Haverich, Axel; Hoerstrup, Simon; Lüscher, Thomas F; Kaufmann, Philipp A; Landmesser, Ulf; Martin, Ulrich

2012-07-24

Evaluation of novel cellular therapies in large-animal models and patients is currently hampered by the lack of imaging approaches that allow for long-term monitoring of viable transplanted cells. In this study, sodium iodide symporter (NIS) transgene imaging was evaluated as an approach to follow in vivo survival, engraftment, and distribution of human-induced pluripotent stem cell (hiPSC) derivatives in a pig model of myocardial infarction. Transgenic hiPSC lines stably expressing a fluorescent reporter and NIS (NIS(pos)-hiPSCs) were established. Iodide uptake, efflux, and viability of NIS(pos)-hiPSCs were assessed in vitro. Ten (±2) days after induction of myocardial infarction by transient occlusion of the left anterior descending artery, catheter-based intramyocardial injection of NIS(pos)-hiPSCs guided by 3-dimensional NOGA mapping was performed. Dual-isotope single photon emission computed tomographic/computed tomographic imaging was applied with the use of (123)I to follow donor cell survival and distribution and with the use of (99m)TC-tetrofosmin for perfusion imaging. In vitro, iodide uptake in NIS(pos)-hiPSCs was increased 100-fold above that of nontransgenic controls. In vivo, viable NIS(pos)-hiPSCs could be visualized for up to 15 weeks. Immunohistochemistry demonstrated that hiPSC-derived endothelial cells contributed to vascularization. Up to 12 to 15 weeks after transplantation, no teratomas were detected. This study describes for the first time the feasibility of repeated long-term in vivo imaging of viability and tissue distribution of cellular grafts in large animals. Moreover, this is the first report demonstrating vascular differentiation and long-term engraftment of hiPSCs in a large-animal model of myocardial infarction. NIS(pos)-hiPSCs represent a valuable tool to monitor and improve current cellular treatment strategies in clinically relevant animal models.

The Integration of CloudStack and OCCI/OpenNebula with DIRAC

NASA Astrophysics Data System (ADS)

Méndez Muñoz, Víctor; Fernández Albor, Víctor; Graciani Diaz, Ricardo; Casajús Ramo, Adriàn; Fernández Pena, Tomás; Merino Arévalo, Gonzalo; José Saborido Silva, Juan

2012-12-01

The increasing availability of Cloud resources is arising as a realistic alternative to the Grid as a paradigm for enabling scientific communities to access large distributed computing resources. The DIRAC framework for distributed computing is an easy way to efficiently access to resources from both systems. This paper explains the integration of DIRAC with two open-source Cloud Managers: OpenNebula (taking advantage of the OCCI standard) and CloudStack. These are computing tools to manage the complexity and heterogeneity of distributed data center infrastructures, allowing to create virtual clusters on demand, including public, private and hybrid clouds. This approach has required to develop an extension to the previous DIRAC Virtual Machine engine, which was developed for Amazon EC2, allowing the connection with these new cloud managers. In the OpenNebula case, the development has been based on the CernVM Virtual Software Appliance with appropriate contextualization, while in the case of CloudStack, the infrastructure has been kept more general, which permits other Virtual Machine sources and operating systems being used. In both cases, CernVM File System has been used to facilitate software distribution to the computing nodes. With the resulting infrastructure, the cloud resources are transparent to the users through a friendly interface, like the DIRAC Web Portal. The main purpose of this integration is to get a system that can manage cloud and grid resources at the same time. This particular feature pushes DIRAC to a new conceptual denomination as interware, integrating different middleware. Users from different communities do not need to care about the installation of the standard software that is available at the nodes, nor the operating system of the host machine which is transparent to the user. This paper presents an analysis of the overhead of the virtual layer, doing some tests to compare the proposed approach with the existing Grid solution. License Notice: Published under licence in Journal of Physics: Conference Series by IOP Publishing Ltd.

The challenge of forecasting impacts of flash floods: test of a simplified hydraulic approach and validation based on insurance claim data

NASA Astrophysics Data System (ADS)

Le Bihan, Guillaume; Payrastre, Olivier; Gaume, Eric; Moncoulon, David; Pons, Frédéric

2017-11-01

Up to now, flash flood monitoring and forecasting systems, based on rainfall radar measurements and distributed rainfall-runoff models, generally aimed at estimating flood magnitudes - typically discharges or return periods - at selected river cross sections. The approach presented here goes one step further by proposing an integrated forecasting chain for the direct assessment of flash flood possible impacts on inhabited areas (number of buildings at risk in the presented case studies). The proposed approach includes, in addition to a distributed rainfall-runoff model, an automatic hydraulic method suited for the computation of flood extent maps on a dense river network and over large territories. The resulting catalogue of flood extent maps is then combined with land use data to build a flood impact curve for each considered river reach, i.e. the number of inundated buildings versus discharge. These curves are finally used to compute estimated impacts based on forecasted discharges. The approach has been extensively tested in the regions of Alès and Draguignan, located in the south of France, where well-documented major flash floods recently occurred. The article presents two types of validation results. First, the automatically computed flood extent maps and corresponding water levels are tested against rating curves at available river gauging stations as well as against local reference or observed flood extent maps. Second, a rich and comprehensive insurance claim database is used to evaluate the relevance of the estimated impacts for some recent major floods.

On Improving Efficiency of Differential Evolution for Aerodynamic Shape Optimization Applications

NASA Technical Reports Server (NTRS)

Madavan, Nateri K.

2004-01-01

Differential Evolution (DE) is a simple and robust evolutionary strategy that has been provEn effective in determining the global optimum for several difficult optimization problems. Although DE offers several advantages over traditional optimization approaches, its use in applications such as aerodynamic shape optimization where the objective function evaluations are computationally expensive is limited by the large number of function evaluations often required. In this paper various approaches for improving the efficiency of DE are reviewed and discussed. Several approaches that have proven effective for other evolutionary algorithms are modified and implemented in a DE-based aerodynamic shape optimization method that uses a Navier-Stokes solver for the objective function evaluations. Parallelization techniques on distributed computers are used to reduce turnaround times. Results are presented for standard test optimization problems and for the inverse design of a turbine airfoil. The efficiency improvements achieved by the different approaches are evaluated and compared.

Nodal failure index approach to groundwater remediation design

USGS Publications Warehouse

Lee, J.; Reeves, H.W.; Dowding, C.H.

2008-01-01

Computer simulations often are used to design and to optimize groundwater remediation systems. We present a new computationally efficient approach that calculates the reliability of remedial design at every location in a model domain with a single simulation. The estimated reliability and other model information are used to select a best remedial option for given site conditions, conceptual model, and available data. To evaluate design performance, we introduce the nodal failure index (NFI) to determine the number of nodal locations at which the probability of success is below the design requirement. The strength of the NFI approach is that selected areas of interest can be specified for analysis and the best remedial design determined for this target region. An example application of the NFI approach using a hypothetical model shows how the spatial distribution of reliability can be used for a decision support system in groundwater remediation design. ?? 2008 ASCE.

Decoupled CFD-based optimization of efficiency and cavitation performance of a double-suction pump

NASA Astrophysics Data System (ADS)

Škerlavaj, A.; Morgut, M.; Jošt, D.; Nobile, E.

2017-04-01

In this study the impeller geometry of a double-suction pump ensuring the best performances in terms of hydraulic efficiency and reluctance of cavitation is determined using an optimization strategy, which was driven by means of the modeFRONTIER optimization platform. The different impeller shapes (designs) are modified according to the optimization parameters and tested with a computational fluid dynamics (CFD) software, namely ANSYS CFX. The simulations are performed using a decoupled approach, where only the impeller domain region is numerically investigated for computational convenience. The flow losses in the volute are estimated on the base of the velocity distribution at the impeller outlet. The best designs are then validated considering the computationally more expensive full geometry CFD model. The overall results show that the proposed approach is suitable for quick impeller shape optimization.

Raster Data Partitioning for Supporting Distributed GIS Processing

NASA Astrophysics Data System (ADS)

Nguyen Thai, B.; Olasz, A.

2015-08-01

In the geospatial sector big data concept also has already impact. Several studies facing originally computer science techniques applied in GIS processing of huge amount of geospatial data. In other research studies geospatial data is considered as it were always been big data (Lee and Kang, 2015). Nevertheless, we can prove data acquisition methods have been improved substantially not only the amount, but the resolution of raw data in spectral, spatial and temporal aspects as well. A significant portion of big data is geospatial data, and the size of such data is growing rapidly at least by 20% every year (Dasgupta, 2013). The produced increasing volume of raw data, in different format, representation and purpose the wealth of information derived from this data sets represents only valuable results. However, the computing capability and processing speed rather tackle with limitations, even if semi-automatic or automatic procedures are aimed on complex geospatial data (Kristóf et al., 2014). In late times, distributed computing has reached many interdisciplinary areas of computer science inclusive of remote sensing and geographic information processing approaches. Cloud computing even more requires appropriate processing algorithms to be distributed and handle geospatial big data. Map-Reduce programming model and distributed file systems have proven their capabilities to process non GIS big data. But sometimes it's inconvenient or inefficient to rewrite existing algorithms to Map-Reduce programming model, also GIS data can not be partitioned as text-based data by line or by bytes. Hence, we would like to find an alternative solution for data partitioning, data distribution and execution of existing algorithms without rewriting or with only minor modifications. This paper focuses on technical overview of currently available distributed computing environments, as well as GIS data (raster data) partitioning, distribution and distributed processing of GIS algorithms. A proof of concept implementation have been made for raster data partitioning, distribution and processing. The first results on performance have been compared against commercial software ERDAS IMAGINE 2011 and 2014. Partitioning methods heavily depend on application areas, therefore we may consider data partitioning as a preprocessing step before applying processing services on data. As a proof of concept we have implemented a simple tile-based partitioning method splitting an image into smaller grids (NxM tiles) and comparing the processing time to existing methods by NDVI calculation. The concept is demonstrated using own development open source processing framework.

High-Performance Computation of Distributed-Memory Parallel 3D Voronoi and Delaunay Tessellation

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

Peterka, Tom; Morozov, Dmitriy; Phillips, Carolyn

2014-11-14

Computing a Voronoi or Delaunay tessellation from a set of points is a core part of the analysis of many simulated and measured datasets: N-body simulations, molecular dynamics codes, and LIDAR point clouds are just a few examples. Such computational geometry methods are common in data analysis and visualization; but as the scale of simulations and observations surpasses billions of particles, the existing serial and shared-memory algorithms no longer suffice. A distributed-memory scalable parallel algorithm is the only feasible approach. The primary contribution of this paper is a new parallel Delaunay and Voronoi tessellation algorithm that automatically determines which neighbormore » points need to be exchanged among the subdomains of a spatial decomposition. Other contributions include periodic and wall boundary conditions, comparison of our method using two popular serial libraries, and application to numerous science datasets.« less

SimBOX: a scalable architecture for aggregate distributed command and control of spaceport and service constellation

NASA Astrophysics Data System (ADS)

Prasad, Guru; Jayaram, Sanjay; Ward, Jami; Gupta, Pankaj

2004-08-01

In this paper, Aximetric proposes a decentralized Command and Control (C2) architecture for a distributed control of a cluster of on-board health monitoring and software enabled control systems called SimBOX that will use some of the real-time infrastructure (RTI) functionality from the current military real-time simulation architecture. The uniqueness of the approach is to provide a "plug and play environment" for various system components that run at various data rates (Hz) and the ability to replicate or transfer C2 operations to various subsystems in a scalable manner. This is possible by providing a communication bus called "Distributed Shared Data Bus" and a distributed computing environment used to scale the control needs by providing a self-contained computing, data logging and control function module that can be rapidly reconfigured to perform different functions. This kind of software-enabled control is very much needed to meet the needs of future aerospace command and control functions.

SimBox: a simulation-based scalable architecture for distributed command and control of spaceport and service constellations

NASA Astrophysics Data System (ADS)

Prasad, Guru; Jayaram, Sanjay; Ward, Jami; Gupta, Pankaj

2004-09-01

In this paper, Aximetric proposes a decentralized Command and Control (C2) architecture for a distributed control of a cluster of on-board health monitoring and software enabled control systems called SimBOX that will use some of the real-time infrastructure (RTI) functionality from the current military real-time simulation architecture. The uniqueness of the approach is to provide a "plug and play environment" for various system components that run at various data rates (Hz) and the ability to replicate or transfer C2 operations to various subsystems in a scalable manner. This is possible by providing a communication bus called "Distributed Shared Data Bus" and a distributed computing environment used to scale the control needs by providing a self-contained computing, data logging and control function module that can be rapidly reconfigured to perform different functions. This kind of software-enabled control is very much needed to meet the needs of future aerospace command and control functions.

A Parameter Communication Optimization Strategy for Distributed Machine Learning in Sensors

PubMed Central

Zhang, Jilin; Tu, Hangdi; Ren, Yongjian; Wan, Jian; Zhou, Li; Li, Mingwei; Wang, Jue; Yu, Lifeng; Zhao, Chang; Zhang, Lei

2017-01-01

In order to utilize the distributed characteristic of sensors, distributed machine learning has become the mainstream approach, but the different computing capability of sensors and network delays greatly influence the accuracy and the convergence rate of the machine learning model. Our paper describes a reasonable parameter communication optimization strategy to balance the training overhead and the communication overhead. We extend the fault tolerance of iterative-convergent machine learning algorithms and propose the Dynamic Finite Fault Tolerance (DFFT). Based on the DFFT, we implement a parameter communication optimization strategy for distributed machine learning, named Dynamic Synchronous Parallel Strategy (DSP), which uses the performance monitoring model to dynamically adjust the parameter synchronization strategy between worker nodes and the Parameter Server (PS). This strategy makes full use of the computing power of each sensor, ensures the accuracy of the machine learning model, and avoids the situation that the model training is disturbed by any tasks unrelated to the sensors. PMID:28934163

A concurrent distributed system for aircraft tactical decision generation

NASA Technical Reports Server (NTRS)

Mcmanus, John W.

1990-01-01

A research program investigating the use of AI techniques to aid in the development of a tactical decision generator (TDG) for within visual range (WVR) air combat engagements is discussed. The application of AI programming and problem-solving methods in the development and implementation of a concurrent version of the computerized logic for air-to-air warfare simulations (CLAWS) program, a second-generation TDG, is presented. Concurrent computing environments and programming approaches are discussed, and the design and performance of prototype concurrent TDG system (Cube CLAWS) are presented. It is concluded that the Cube CLAWS has provided a useful testbed to evaluate the development of a distributed blackboard system. The project has shown that the complexity of developing specialized software on a distributed, message-passing architecture such as the Hypercube is not overwhelming, and that reasonable speedups and processor efficiency can be achieved by a distributed blackboard system. The project has also highlighted some of the costs of using a distributed approach to designing a blackboard system.

Multivariate quadrature for representing cloud condensation nuclei activity of aerosol populations

DOE PAGES

Fierce, Laura; McGraw, Robert L.

2017-07-26

Here, sparse representations of atmospheric aerosols are needed for efficient regional- and global-scale chemical transport models. Here we introduce a new framework for representing aerosol distributions, based on the quadrature method of moments. Given a set of moment constraints, we show how linear programming, combined with an entropy-inspired cost function, can be used to construct optimized quadrature representations of aerosol distributions. The sparse representations derived from this approach accurately reproduce cloud condensation nuclei (CCN) activity for realistically complex distributions simulated by a particleresolved model. Additionally, the linear programming techniques described in this study can be used to bound key aerosolmore » properties, such as the number concentration of CCN. Unlike the commonly used sparse representations, such as modal and sectional schemes, the maximum-entropy approach described here is not constrained to pre-determined size bins or assumed distribution shapes. This study is a first step toward a particle-based aerosol scheme that will track multivariate aerosol distributions with sufficient computational efficiency for large-scale simulations.« less

Multivariate quadrature for representing cloud condensation nuclei activity of aerosol populations

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

Fierce, Laura; McGraw, Robert L.

Here, sparse representations of atmospheric aerosols are needed for efficient regional- and global-scale chemical transport models. Here we introduce a new framework for representing aerosol distributions, based on the quadrature method of moments. Given a set of moment constraints, we show how linear programming, combined with an entropy-inspired cost function, can be used to construct optimized quadrature representations of aerosol distributions. The sparse representations derived from this approach accurately reproduce cloud condensation nuclei (CCN) activity for realistically complex distributions simulated by a particleresolved model. Additionally, the linear programming techniques described in this study can be used to bound key aerosolmore » properties, such as the number concentration of CCN. Unlike the commonly used sparse representations, such as modal and sectional schemes, the maximum-entropy approach described here is not constrained to pre-determined size bins or assumed distribution shapes. This study is a first step toward a particle-based aerosol scheme that will track multivariate aerosol distributions with sufficient computational efficiency for large-scale simulations.« less

New seismogenic stress fields for southern Italy from a Bayesian approach

NASA Astrophysics Data System (ADS)

Totaro, Cristina; Orecchio, Barbara; Presti, Debora; Scolaro, Silvia; Neri, Giancarlo

2017-04-01

A new database of high-quality waveform inversion focal mechanism has been compiled for southern Italy by integrating the highest quality solutions, available from literature and catalogues, and 146 newly-computed ones. All the selected focal mechanisms are (i) coming from the Italian CMT, Regional CMT and TDMT catalogues (Pondrelli et al., PEPI 2006, PEPI 2011; http://www.ingv.it), or (ii) computed by using the Cut And Paste (CAP) method (Zhao & Helmberger, BSSA 1994; Zhu & Helmberger, BSSA 1996). Specific tests have been carried out in order to evaluate the robustness of the obtained solutions (e.g., by varying both seismic network configuration and Earth structure parameters) and to estimate uncertainties on the focal mechanism parameters. Only the resulting highest-quality solutions have been enclosed in the database, that has then been used for computation of posterior density distributions of stress tensor components by a Bayesian method (Arnold & Townend, GJI 2007). This algorithm furnishes the posterior density function of the principal components of stress tensor (maximum σ1, intermediate σ2, and minimum σ3 compressive stress, respectively) and the stress-magnitude ratio (R). Before stress computation, we applied the k-means clustering algorithm to subdivide the focal mechanism catalog on the basis of earthquake locations. This approach allows identifying the sectors to be investigated without any "a priori" constraint from faulting type distribution. The large amount of data and the application of the Bayesian algorithm allowed us to provide a more accurate local-to-regional scale stress distribution that has shed new light on the kinematics and dynamics of this very complex area, where lithospheric unit configuration and geodynamic engines are still strongly debated. The new high-quality information here furnished will then represent very useful tools and constraints for future geophysical analyses and geodynamic modeling.

Predictive uncertainty analysis of plume distribution for geological carbon sequestration using sparse-grid Bayesian method

NASA Astrophysics Data System (ADS)

Shi, X.; Zhang, G.

2013-12-01

Because of the extensive computational burden, parametric uncertainty analyses are rarely conducted for geological carbon sequestration (GCS) process based multi-phase models. The difficulty of predictive uncertainty analysis for the CO2 plume migration in realistic GCS models is not only due to the spatial distribution of the caprock and reservoir (i.e. heterogeneous model parameters), but also because the GCS optimization estimation problem has multiple local minima due to the complex nonlinear multi-phase (gas and aqueous), and multi-component (water, CO2, salt) transport equations. The geological model built by Doughty and Pruess (2004) for the Frio pilot site (Texas) was selected and assumed to represent the 'true' system, which was composed of seven different facies (geological units) distributed among 10 layers. We chose to calibrate the permeabilities of these facies. Pressure and gas saturation values from this true model were then extracted and used as observations for subsequent model calibration. Random noise was added to the observations to approximate realistic field conditions. Each simulation of the model lasts about 2 hours. In this study, we develop a new approach that improves computational efficiency of Bayesian inference by constructing a surrogate system based on an adaptive sparse-grid stochastic collocation method. This surrogate response surface global optimization algorithm is firstly used to calibrate the model parameters, then prediction uncertainty of the CO2 plume position is quantified due to the propagation from parametric uncertainty in the numerical experiments, which is also compared to the actual plume from the 'true' model. Results prove that the approach is computationally efficient for multi-modal optimization and prediction uncertainty quantification for computationally expensive simulation models. Both our inverse methodology and findings can be broadly applicable to GCS in heterogeneous storage formations.

Exact p-values for pairwise comparison of Friedman rank sums, with application to comparing classifiers.

PubMed

Eisinga, Rob; Heskes, Tom; Pelzer, Ben; Te Grotenhuis, Manfred

2017-01-25

The Friedman rank sum test is a widely-used nonparametric method in computational biology. In addition to examining the overall null hypothesis of no significant difference among any of the rank sums, it is typically of interest to conduct pairwise comparison tests. Current approaches to such tests rely on large-sample approximations, due to the numerical complexity of computing the exact distribution. These approximate methods lead to inaccurate estimates in the tail of the distribution, which is most relevant for p-value calculation. We propose an efficient, combinatorial exact approach for calculating the probability mass distribution of the rank sum difference statistic for pairwise comparison of Friedman rank sums, and compare exact results with recommended asymptotic approximations. Whereas the chi-squared approximation performs inferiorly to exact computation overall, others, particularly the normal, perform well, except for the extreme tail. Hence exact calculation offers an improvement when small p-values occur following multiple testing correction. Exact inference also enhances the identification of significant differences whenever the observed values are close to the approximate critical value. We illustrate the proposed method in the context of biological machine learning, were Friedman rank sum difference tests are commonly used for the comparison of classifiers over multiple datasets. We provide a computationally fast method to determine the exact p-value of the absolute rank sum difference of a pair of Friedman rank sums, making asymptotic tests obsolete. Calculation of exact p-values is easy to implement in statistical software and the implementation in R is provided in one of the Additional files and is also available at http://www.ru.nl/publish/pages/726696/friedmanrsd.zip .

Computing distance distributions from dipolar evolution data with overtones: RIDME spectroscopy with Gd(iii)-based spin labels.

PubMed

Keller, Katharina; Mertens, Valerie; Qi, Mian; Nalepa, Anna I; Godt, Adelheid; Savitsky, Anton; Jeschke, Gunnar; Yulikov, Maxim

2017-07-21

Extraction of distance distributions between high-spin paramagnetic centers from relaxation induced dipolar modulation enhancement (RIDME) data is affected by the presence of overtones of dipolar frequencies. As previously proposed, we account for these overtones by using a modified kernel function in Tikhonov regularization analysis. This paper analyzes the performance of such an approach on a series of model compounds with the Gd(iii)-PyMTA complex serving as paramagnetic high-spin label. We describe the calibration of the overtone coefficients for the RIDME kernel, demonstrate the accuracy of distance distributions obtained with this approach, and show that for our series of Gd-rulers RIDME technique provides more accurate distance distributions than Gd(iii)-Gd(iii) double electron-electron resonance (DEER). The analysis of RIDME data including harmonic overtones can be performed using the MATLAB-based program OvertoneAnalysis, which is available as open-source software from the web page of ETH Zurich. This approach opens a perspective for the routine use of the RIDME technique with high-spin labels in structural biology and structural studies of other soft matter.

A flexible approach to distributed data anonymization.

PubMed

Kohlmayer, Florian; Prasser, Fabian; Eckert, Claudia; Kuhn, Klaus A

2014-08-01

Sensitive biomedical data is often collected from distributed sources, involving different information systems and different organizational units. Local autonomy and legal reasons lead to the need of privacy preserving integration concepts. In this article, we focus on anonymization, which plays an important role for the re-use of clinical data and for the sharing of research data. We present a flexible solution for anonymizing distributed data in the semi-honest model. Prior to the anonymization procedure, an encrypted global view of the dataset is constructed by means of a secure multi-party computing (SMC) protocol. This global representation can then be anonymized. Our approach is not limited to specific anonymization algorithms but provides pre- and postprocessing for a broad spectrum of algorithms and many privacy criteria. We present an extensive analytical and experimental evaluation and discuss which types of methods and criteria are supported. Our prototype demonstrates the approach by implementing k-anonymity, ℓ-diversity, t-closeness and δ-presence with a globally optimal de-identification method in horizontally and vertically distributed setups. The experiments show that our method provides highly competitive performance and offers a practical and flexible solution for anonymizing distributed biomedical datasets. Copyright © 2013 Elsevier Inc. All rights reserved.

An efficient and accurate technique to compute the absorption, emission, and transmission of radiation by the Martian atmosphere

NASA Technical Reports Server (NTRS)

Lindner, Bernhard Lee; Ackerman, Thomas P.; Pollack, James B.

1990-01-01

CO2 comprises 95 pct. of the composition of the Martian atmosphere. However, the Martian atmosphere also has a high aerosol content. Dust particles vary from less than 0.2 to greater than 3.0. CO2 is an active absorber and emitter in near IR and IR wavelengths; the near IR absorption bands of CO2 provide significant heating of the atmosphere, and the 15 micron band provides rapid cooling. Including both CO2 and aerosol radiative transfer simultaneously in a model is difficult. Aerosol radiative transfer requires a multiple scattering code, while CO2 radiative transfer must deal with complex wavelength structure. As an alternative to the pure atmosphere treatment in most models which causes inaccuracies, a treatment was developed called the exponential sum or k distribution approximation. The chief advantage of the exponential sum approach is that the integration over k space of f(k) can be computed more quickly than the integration of k sub upsilon over frequency. The exponential sum approach is superior to the photon path distribution and emissivity techniques for dusty conditions. This study was the first application of the exponential sum approach to Martian conditions.

Computation of parton distributions from the quasi-PDF approach at the physical point

NASA Astrophysics Data System (ADS)

Alexandrou, Constantia; Bacchio, Simone; Cichy, Krzysztof; Constantinou, Martha; Hadjiyiannakou, Kyriakos; Jansen, Karl; Koutsou, Giannis; Scapellato, Aurora; Steffens, Fernanda

2018-03-01

We show the first results for parton distribution functions within the proton at the physical pion mass, employing the method of quasi-distributions. In particular, we present the matrix elements for the iso-vector combination of the unpolarized, helicity and transversity quasi-distributions, obtained with Nf = 2 twisted mass cloverimproved fermions and a proton boosted with momentum |p→| = 0.83 GeV. The momentum smearing technique has been applied to improve the overlap with the proton boosted state. Moreover, we present the renormalized helicity matrix elements in the RI' scheme, following the non-perturbative renormalization prescription recently developed by our group.

SUITABILITY OF USING IN VITRO AND COMPUTATIONALLY ESTIMATED PARAMETERS IN SIMPLIFIED PHARMACOKINETIC MODELS

EPA Science Inventory

A challenge in PBPK model development is estimating the parameters for absorption, distribution, metabolism, and excretion of the parent compound and metabolites of interest. One approach to reduce the number of parameters has been to simplify pharmacokinetic models by lumping p...

3-D time-domain induced polarization tomography: a new approach based on a source current density formulation

NASA Astrophysics Data System (ADS)

Soueid Ahmed, A.; Revil, A.

2018-04-01

Induced polarization (IP) of porous rocks can be associated with a secondary source current density, which is proportional to both the intrinsic chargeability and the primary (applied) current density. This gives the possibility of reformulating the time domain induced polarization (TDIP) problem as a time-dependent self-potential-type problem. This new approach implies a change of strategy regarding data acquisition and inversion, allowing major time savings for both. For inverting TDIP data, we first retrieve the electrical resistivity distribution. Then, we use this electrical resistivity distribution to reconstruct the primary current density during the injection/retrieval of the (primary) current between the current electrodes A and B. The time-lapse secondary source current density distribution is determined given the primary source current density and a distribution of chargeability (forward modelling step). The inverse problem is linear between the secondary voltages (measured at all the electrodes) and the computed secondary source current density. A kernel matrix relating the secondary observed voltages data to the source current density model is computed once (using the electrical conductivity distribution), and then used throughout the inversion process. This recovered source current density model is in turn used to estimate the time-dependent chargeability (normalized voltages) in each cell of the domain of interest. Assuming a Cole-Cole model for simplicity, we can reconstruct the 3-D distributions of the relaxation time τ and the Cole-Cole exponent c by fitting the intrinsic chargeability decay curve to a Cole-Cole relaxation model for each cell. Two simple cases are studied in details to explain this new approach. In the first case, we estimate the Cole-Cole parameters as well as the source current density field from a synthetic TDIP data set. Our approach is successfully able to reveal the presence of the anomaly and to invert its Cole-Cole parameters. In the second case, we perform a laboratory sandbox experiment in which we mix a volume of burning coal and sand. The algorithm is able to localize the burning coal both in terms of electrical conductivity and chargeability.

Oxygen Distributions—Evaluation of Computational Methods, Using a Stochastic Model for Large Tumour Vasculature, to Elucidate the Importance of Considering a Complete Vascular Network

PubMed Central

Bernhardt, Peter

2016-01-01

Purpose To develop a general model that utilises a stochastic method to generate a vessel tree based on experimental data, and an associated irregular, macroscopic tumour. These will be used to evaluate two different methods for computing oxygen distribution. Methods A vessel tree structure, and an associated tumour of 127 cm3, were generated, using a stochastic method and Bresenham’s line algorithm to develop trees on two different scales and fusing them together. The vessel dimensions were adjusted through convolution and thresholding and each vessel voxel was assigned an oxygen value. Diffusion and consumption were modelled using a Green’s function approach together with Michaelis-Menten kinetics. The computations were performed using a combined tree method (CTM) and an individual tree method (ITM). Five tumour sub-sections were compared, to evaluate the methods. Results The oxygen distributions of the same tissue samples, using different methods of computation, were considerably less similar (root mean square deviation, RMSD≈0.02) than the distributions of different samples using CTM (0.001< RMSD<0.01). The deviations of ITM from CTM increase with lower oxygen values, resulting in ITM severely underestimating the level of hypoxia in the tumour. Kolmogorov Smirnov (KS) tests showed that millimetre-scale samples may not represent the whole. Conclusions The stochastic model managed to capture the heterogeneous nature of hypoxic fractions and, even though the simplified computation did not considerably alter the oxygen distribution, it leads to an evident underestimation of tumour hypoxia, and thereby radioresistance. For a trustworthy computation of tumour oxygenation, the interaction between adjacent microvessel trees must not be neglected, why evaluation should be made using high resolution and the CTM, applied to the entire tumour. PMID:27861529

Optimizing Teleportation Cost in Distributed Quantum Circuits

NASA Astrophysics Data System (ADS)

Zomorodi-Moghadam, Mariam; Houshmand, Mahboobeh; Houshmand, Monireh

2018-03-01

The presented work provides a procedure for optimizing the communication cost of a distributed quantum circuit (DQC) in terms of the number of qubit teleportations. Because of technology limitations which do not allow large quantum computers to work as a single processing element, distributed quantum computation is an appropriate solution to overcome this difficulty. Previous studies have applied ad-hoc solutions to distribute a quantum system for special cases and applications. In this study, a general approach is proposed to optimize the number of teleportations for a DQC consisting of two spatially separated and long-distance quantum subsystems. To this end, different configurations of locations for executing gates whose qubits are in distinct subsystems are considered and for each of these configurations, the proposed algorithm is run to find the minimum number of required teleportations. Finally, the configuration which leads to the minimum number of teleportations is reported. The proposed method can be used as an automated procedure to find the configuration with the optimal communication cost for the DQC. This cost can be used as a basic measure of the communication cost for future works in the distributed quantum circuits.

Distributed simulation using a real-time shared memory network

NASA Technical Reports Server (NTRS)

Simon, Donald L.; Mattern, Duane L.; Wong, Edmond; Musgrave, Jeffrey L.

1993-01-01

The Advanced Control Technology Branch of the NASA Lewis Research Center performs research in the area of advanced digital controls for aeronautic and space propulsion systems. This work requires the real-time implementation of both control software and complex dynamical models of the propulsion system. We are implementing these systems in a distributed, multi-vendor computer environment. Therefore, a need exists for real-time communication and synchronization between the distributed multi-vendor computers. A shared memory network is a potential solution which offers several advantages over other real-time communication approaches. A candidate shared memory network was tested for basic performance. The shared memory network was then used to implement a distributed simulation of a ramjet engine. The accuracy and execution time of the distributed simulation was measured and compared to the performance of the non-partitioned simulation. The ease of partitioning the simulation, the minimal time required to develop for communication between the processors and the resulting execution time all indicate that the shared memory network is a real-time communication technique worthy of serious consideration.

New approach based on tetrahedral-mesh geometry for accurate 4D Monte Carlo patient-dose calculation

NASA Astrophysics Data System (ADS)

Han, Min Cheol; Yeom, Yeon Soo; Kim, Chan Hyeong; Kim, Seonghoon; Sohn, Jason W.

2015-02-01

In the present study, to achieve accurate 4D Monte Carlo dose calculation in radiation therapy, we devised a new approach that combines (1) modeling of the patient body using tetrahedral-mesh geometry based on the patient’s 4D CT data, (2) continuous movement/deformation of the tetrahedral patient model by interpolation of deformation vector fields acquired through deformable image registration, and (3) direct transportation of radiation particles during the movement and deformation of the tetrahedral patient model. The results of our feasibility study show that it is certainly possible to construct 4D patient models (= phantoms) with sufficient accuracy using the tetrahedral-mesh geometry and to directly transport radiation particles during continuous movement and deformation of the tetrahedral patient model. This new approach not only produces more accurate dose distribution in the patient but also replaces the current practice of using multiple 3D voxel phantoms and combining multiple dose distributions after Monte Carlo simulations. For routine clinical application of our new approach, the use of fast automatic segmentation algorithms is a must. In order to achieve, simultaneously, both dose accuracy and computation speed, the number of tetrahedrons for the lungs should be optimized. Although the current computation speed of our new 4D Monte Carlo simulation approach is slow (i.e. ~40 times slower than that of the conventional dose accumulation approach), this problem is resolvable by developing, in Geant4, a dedicated navigation class optimized for particle transportation in tetrahedral-mesh geometry.

Performance Analysis of an Actor-Based Distributed Simulation

NASA Technical Reports Server (NTRS)

Schoeffler, James D.

1998-01-01

Object-oriented design of simulation programs appears to be very attractive because of the natural association of components in the simulated system with objects. There is great potential in distributing the simulation across several computers for the purpose of parallel computation and its consequent handling of larger problems in less elapsed time. One approach to such a design is to use "actors", that is, active objects with their own thread of control. Because these objects execute concurrently, communication is via messages. This is in contrast to an object-oriented design using passive objects where communication between objects is via method calls (direct calls when they are in the same address space and remote procedure calls when they are in different address spaces or different machines). This paper describes a performance analysis program for the evaluation of a design for distributed simulations based upon actors.

Geographically distributed Batch System as a Service: the INDIGO-DataCloud approach exploiting HTCondor

NASA Astrophysics Data System (ADS)

Aiftimiei, D. C.; Antonacci, M.; Bagnasco, S.; Boccali, T.; Bucchi, R.; Caballer, M.; Costantini, A.; Donvito, G.; Gaido, L.; Italiano, A.; Michelotto, D.; Panella, M.; Salomoni, D.; Vallero, S.

2017-10-01

One of the challenges a scientific computing center has to face is to keep delivering well consolidated computational frameworks (i.e. the batch computing farm), while conforming to modern computing paradigms. The aim is to ease system administration at all levels (from hardware to applications) and to provide a smooth end-user experience. Within the INDIGO- DataCloud project, we adopt two different approaches to implement a PaaS-level, on-demand Batch Farm Service based on HTCondor and Mesos. In the first approach, described in this paper, the various HTCondor daemons are packaged inside pre-configured Docker images and deployed as Long Running Services through Marathon, profiting from its health checks and failover capabilities. In the second approach, we are going to implement an ad-hoc HTCondor framework for Mesos. Container-to-container communication and isolation have been addressed exploring a solution based on overlay networks (based on the Calico Project). Finally, we have studied the possibility to deploy an HTCondor cluster that spans over different sites, exploiting the Condor Connection Broker component, that allows communication across a private network boundary or firewall as in case of multi-site deployments. In this paper, we are going to describe and motivate our implementation choices and to show the results of the first tests performed.

AGM: A DSL for mobile cloud computing based on directed graph

NASA Astrophysics Data System (ADS)

Tanković, Nikola; Grbac, Tihana Galinac

2016-06-01

This paper summarizes a novel approach for consuming a domain specific language (DSL) by transforming it to a directed graph representation persisted by a graph database. Using such specialized database enables advanced navigation trough the stored model exposing only relevant subsets of meta-data to different involved services and components. We applied this approach in a mobile cloud computing system and used it to model several mobile applications in retail, supply chain management and merchandising domain. These application are distributed in a Software-as-a-Service (SaaS) fashion and used by thousands of customers in Croatia. We report on lessons learned and propose further research on this topic.

A uniform object-oriented solution to the eigenvalue problem for real symmetric and Hermitian matrices

NASA Astrophysics Data System (ADS)

Castro, María Eugenia; Díaz, Javier; Muñoz-Caro, Camelia; Niño, Alfonso

2011-09-01

We present a system of classes, SHMatrix, to deal in a unified way with the computation of eigenvalues and eigenvectors in real symmetric and Hermitian matrices. Thus, two descendant classes, one for the real symmetric and other for the Hermitian cases, override the abstract methods defined in a base class. The use of the inheritance relationship and polymorphism allows handling objects of any descendant class using a single reference of the base class. The system of classes is intended to be the core element of more sophisticated methods to deal with large eigenvalue problems, as those arising in the variational treatment of realistic quantum mechanical problems. The present system of classes allows computing a subset of all the possible eigenvalues and, optionally, the corresponding eigenvectors. Comparison with well established solutions for analogous eigenvalue problems, as those included in LAPACK, shows that the present solution is competitive against them. Program summaryProgram title: SHMatrix Catalogue identifier: AEHZ_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEHZ_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 2616 No. of bytes in distributed program, including test data, etc.: 127 312 Distribution format: tar.gz Programming language: Standard ANSI C++. Computer: PCs and workstations. Operating system: Linux, Windows. Classification: 4.8. Nature of problem: The treatment of problems involving eigensystems is a central topic in the quantum mechanical field. Here, the use of the variational approach leads to the computation of eigenvalues and eigenvectors of real symmetric and Hermitian Hamiltonian matrices. Realistic models with several degrees of freedom leads to large (sometimes very large) matrices. Different techniques, such as divide and conquer, can be used to factorize the matrices in order to apply a parallel computing approach. However, it is still interesting to have a core procedure able to tackle the computation of eigenvalues and eigenvectors once the matrix has been factorized to pieces of enough small size. Several available software packages, such as LAPACK, tackled this problem under the traditional imperative programming paradigm. In order to ease the modelling of complex quantum mechanical models it could be interesting to apply an object-oriented approach to the treatment of the eigenproblem. This approach offers the advantage of a single, uniform treatment for the real symmetric and Hermitian cases. Solution method: To reach the above goals, we have developed a system of classes: SHMatrix. SHMatrix is composed by an abstract base class and two descendant classes, one for real symmetric matrices and the other for the Hermitian case. The object-oriented characteristics of inheritance and polymorphism allows handling both cases using a single reference of the base class. The basic computing strategy applied in SHMatrix allows computing subsets of eigenvalues and (optionally) eigenvectors. The tests performed show that SHMatrix is competitive, and more efficient for large matrices, than the equivalent routines of the LAPACK package. Running time: The examples included in the distribution take only a couple of seconds to run.

A strategy for improved computational efficiency of the method of anchored distributions

NASA Astrophysics Data System (ADS)

Over, Matthew William; Yang, Yarong; Chen, Xingyuan; Rubin, Yoram

2013-06-01

This paper proposes a strategy for improving the computational efficiency of model inversion using the method of anchored distributions (MAD) by "bundling" similar model parametrizations in the likelihood function. Inferring the likelihood function typically requires a large number of forward model (FM) simulations for each possible model parametrization; as a result, the process is quite expensive. To ease this prohibitive cost, we present an approximation for the likelihood function called bundling that relaxes the requirement for high quantities of FM simulations. This approximation redefines the conditional statement of the likelihood function as the probability of a set of similar model parametrizations "bundle" replicating field measurements, which we show is neither a model reduction nor a sampling approach to improving the computational efficiency of model inversion. To evaluate the effectiveness of these modifications, we compare the quality of predictions and computational cost of bundling relative to a baseline MAD inversion of 3-D flow and transport model parameters. Additionally, to aid understanding of the implementation we provide a tutorial for bundling in the form of a sample data set and script for the R statistical computing language. For our synthetic experiment, bundling achieved a 35% reduction in overall computational cost and had a limited negative impact on predicted probability distributions of the model parameters. Strategies for minimizing error in the bundling approximation, for enforcing similarity among the sets of model parametrizations, and for identifying convergence of the likelihood function are also presented.

Detection limits for nanoparticles in solution with classical turbidity spectra

NASA Astrophysics Data System (ADS)

Le Blevennec, G.

2013-09-01

Detection of nanoparticles in solution is required to manage safety and environmental problems. Spectral transmission turbidity method has now been known for a long time. It is derived from the Mie Theory and can be applied to any number of spheres, randomly distributed and separated by large distance compared to wavelength. Here, we describe a method for determination of size, distribution and concentration of nanoparticles in solution using UV-Vis transmission measurements. The method combines Mie and Beer Lambert computation integrated in a best fit approximation. In a first step, a validation of the approach is completed on silver nanoparticles solution. Verification of results is realized with Transmission Electronic Microscopy measurements for size distribution and an Inductively Coupled Plasma Mass Spectrometry for concentration. In view of the good agreement obtained, a second step of work focuses on how to manage the concentration to be the most accurate on the size distribution. Those efficient conditions are determined by simple computation. As we are dealing with nanoparticles, one of the key points is to know what the size limits reachable are with that kind of approach based on classical electromagnetism. In taking into account the transmission spectrometer accuracy limit we determine for several types of materials, metals, dielectrics, semiconductors the particle size limit detectable by such a turbidity method. These surprising results are situated at the quantum physics frontier.

A Methodological Approach for Assessing Amplified Reflection Distributed Denial of Service on the Internet of Things

PubMed Central

Costa Gondim, João José; de Oliveira Albuquerque, Robson; Clayton Alves Nascimento, Anderson; García Villalba, Luis Javier; Kim, Tai-Hoon

2016-01-01

Concerns about security on Internet of Things (IoT) cover data privacy and integrity, access control, and availability. IoT abuse in distributed denial of service attacks is a major issue, as typical IoT devices’ limited computing, communications, and power resources are prioritized in implementing functionality rather than security features. Incidents involving attacks have been reported, but without clear characterization and evaluation of threats and impacts. The main purpose of this work is to methodically assess the possible impacts of a specific class–amplified reflection distributed denial of service attacks (AR-DDoS)–against IoT. The novel approach used to empirically examine the threat represented by running the attack over a controlled environment, with IoT devices, considered the perspective of an attacker. The methodology used in tests includes that perspective, and actively prospects vulnerabilities in computer systems. This methodology defines standardized procedures for tool-independent vulnerability assessment based on strategy, and the decision flows during execution of penetration tests (pentests). After validation in different scenarios, the methodology was applied in amplified reflection distributed denial of service (AR-DDoS) attack threat assessment. Results show that, according to attack intensity, AR-DDoS saturates reflector infrastructure. Therefore, concerns about AR-DDoS are founded, but expected impact on abused IoT infrastructure and devices will be possibly as hard as on final victims. PMID:27827931

A Methodological Approach for Assessing Amplified Reflection Distributed Denial of Service on the Internet of Things.

PubMed

Costa Gondim, João José; de Oliveira Albuquerque, Robson; Clayton Alves Nascimento, Anderson; García Villalba, Luis Javier; Kim, Tai-Hoon

2016-11-04

Concerns about security on Internet of Things (IoT) cover data privacy and integrity, access control, and availability. IoT abuse in distributed denial of service attacks is a major issue, as typical IoT devices' limited computing, communications, and power resources are prioritized in implementing functionality rather than security features. Incidents involving attacks have been reported, but without clear characterization and evaluation of threats and impacts. The main purpose of this work is to methodically assess the possible impacts of a specific class-amplified reflection distributed denial of service attacks (AR-DDoS)-against IoT. The novel approach used to empirically examine the threat represented by running the attack over a controlled environment, with IoT devices, considered the perspective of an attacker. The methodology used in tests includes that perspective, and actively prospects vulnerabilities in computer systems. This methodology defines standardized procedures for tool-independent vulnerability assessment based on strategy, and the decision flows during execution of penetration tests (pentests). After validation in different scenarios, the methodology was applied in amplified reflection distributed denial of service (AR-DDoS) attack threat assessment. Results show that, according to attack intensity, AR-DDoS saturates reflector infrastructure. Therefore, concerns about AR-DDoS are founded, but expected impact on abused IoT infrastructure and devices will be possibly as hard as on final victims.

Genome-Wide Association Study of the Genetic Determinants of Emphysema Distribution.

PubMed

Boueiz, Adel; Lutz, Sharon M; Cho, Michael H; Hersh, Craig P; Bowler, Russell P; Washko, George R; Halper-Stromberg, Eitan; Bakke, Per; Gulsvik, Amund; Laird, Nan M; Beaty, Terri H; Coxson, Harvey O; Crapo, James D; Silverman, Edwin K; Castaldi, Peter J; DeMeo, Dawn L

2017-03-15

Emphysema has considerable variability in the severity and distribution of parenchymal destruction throughout the lungs. Upper lobe-predominant emphysema has emerged as an important predictor of response to lung volume reduction surgery. Yet, aside from alpha-1 antitrypsin deficiency, the genetic determinants of emphysema distribution remain largely unknown. To identify the genetic influences of emphysema distribution in non-alpha-1 antitrypsin-deficient smokers. A total of 11,532 subjects with complete genotype and computed tomography densitometry data in the COPDGene (Genetic Epidemiology of Chronic Obstructive Pulmonary Disease [COPD]; non-Hispanic white and African American), ECLIPSE (Evaluation of COPD Longitudinally to Identify Predictive Surrogate Endpoints), and GenKOLS (Genetics of Chronic Obstructive Lung Disease) studies were analyzed. Two computed tomography scan emphysema distribution measures (difference between upper-third and lower-third emphysema; ratio of upper-third to lower-third emphysema) were tested for genetic associations in all study subjects. Separate analyses in each study population were followed by a fixed effect metaanalysis. Single-nucleotide polymorphism-, gene-, and pathway-based approaches were used. In silico functional evaluation was also performed. We identified five loci associated with emphysema distribution at genome-wide significance. These loci included two previously reported associations with COPD susceptibility (4q31 near HHIP and 15q25 near CHRNA5) and three new associations near SOWAHB, TRAPPC9, and KIAA1462. Gene set analysis and in silico functional evaluation revealed pathways and cell types that may potentially contribute to the pathogenesis of emphysema distribution. This multicohort genome-wide association study identified new genomic loci associated with differential emphysematous destruction throughout the lungs. These findings may point to new biologic pathways on which to expand diagnostic and therapeutic approaches in chronic obstructive pulmonary disease. Clinical trial registered with www.clinicaltrials.gov (NCT 00608764).

About Distributed Simulation-based Optimization of Forming Processes using a Grid Architecture

NASA Astrophysics Data System (ADS)

Grauer, Manfred; Barth, Thomas

2004-06-01

Permanently increasing complexity of products and their manufacturing processes combined with a shorter "time-to-market" leads to more and more use of simulation and optimization software systems for product design. Finding a "good" design of a product implies the solution of computationally expensive optimization problems based on the results of simulation. Due to the computational load caused by the solution of these problems, the requirements on the Information&Telecommunication (IT) infrastructure of an enterprise or research facility are shifting from stand-alone resources towards the integration of software and hardware resources in a distributed environment for high-performance computing. Resources can either comprise software systems, hardware systems, or communication networks. An appropriate IT-infrastructure must provide the means to integrate all these resources and enable their use even across a network to cope with requirements from geographically distributed scenarios, e.g. in computational engineering and/or collaborative engineering. Integrating expert's knowledge into the optimization process is inevitable in order to reduce the complexity caused by the number of design variables and the high dimensionality of the design space. Hence, utilization of knowledge-based systems must be supported by providing data management facilities as a basis for knowledge extraction from product data. In this paper, the focus is put on a distributed problem solving environment (PSE) capable of providing access to a variety of necessary resources and services. A distributed approach integrating simulation and optimization on a network of workstations and cluster systems is presented. For geometry generation the CAD-system CATIA is used which is coupled with the FEM-simulation system INDEED for simulation of sheet-metal forming processes and the problem solving environment OpTiX for distributed optimization.

Advanced Unstructured Grid Generation for Complex Aerodynamic Applications

NASA Technical Reports Server (NTRS)

Pirzadeh, Shahyar Z.

2008-01-01

A new approach for distribution of grid points on the surface and in the volume has been developed and implemented in the NASA unstructured grid generation code VGRID. In addition to the point and line sources of prior work, the new approach utilizes surface and volume sources for automatic curvature-based grid sizing and convenient point distribution in the volume. A new exponential growth function produces smoother and more efficient grids and provides superior control over distribution of grid points in the field. All types of sources support anisotropic grid stretching which not only improves the grid economy but also provides more accurate solutions for certain aerodynamic applications. The new approach does not require a three-dimensional background grid as in the previous methods. Instead, it makes use of an efficient bounding-box auxiliary medium for storing grid parameters defined by surface sources. The new approach is less memory-intensive and more efficient computationally. The grids generated with the new method either eliminate the need for adaptive grid refinement for certain class of problems or provide high quality initial grids that would enhance the performance of many adaptation methods.

Advanced Unstructured Grid Generation for Complex Aerodynamic Applications

NASA Technical Reports Server (NTRS)

Pirzadeh, Shahyar

2010-01-01

A new approach for distribution of grid points on the surface and in the volume has been developed. In addition to the point and line sources of prior work, the new approach utilizes surface and volume sources for automatic curvature-based grid sizing and convenient point distribution in the volume. A new exponential growth function produces smoother and more efficient grids and provides superior control over distribution of grid points in the field. All types of sources support anisotropic grid stretching which not only improves the grid economy but also provides more accurate solutions for certain aerodynamic applications. The new approach does not require a three-dimensional background grid as in the previous methods. Instead, it makes use of an efficient bounding-box auxiliary medium for storing grid parameters defined by surface sources. The new approach is less memory-intensive and more efficient computationally. The grids generated with the new method either eliminate the need for adaptive grid refinement for certain class of problems or provide high quality initial grids that would enhance the performance of many adaptation methods.

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

Palmintier, Bryan S; Bugbee, Bruce; Gotseff, Peter

Capturing technical and economic impacts of solar photovoltaics (PV) and other distributed energy resources (DERs) on electric distribution systems can require high-time resolution (e.g. 1 minute), long-duration (e.g. 1 year) simulations. However, such simulations can be computationally prohibitive, particularly when including complex control schemes in quasi-steady-state time series (QSTS) simulation. Various approaches have been used in the literature to down select representative time segments (e.g. days), but typically these are best suited for lower time resolutions or consider only a single data stream (e.g. PV production) for selection. We present a statistical approach that combines stratified sampling and bootstrapping tomore » select representative days while also providing a simple method to reassemble annual results. We describe the approach in the context of a recent study with a utility partner. This approach enables much faster QSTS analysis by simulating only a subset of days, while maintaining accurate annual estimates.« less

Accelerated Enveloping Distribution Sampling: Enabling Sampling of Multiple End States while Preserving Local Energy Minima.

PubMed

Perthold, Jan Walther; Oostenbrink, Chris

2018-05-17

Enveloping distribution sampling (EDS) is an efficient approach to calculate multiple free-energy differences from a single molecular dynamics (MD) simulation. However, the construction of an appropriate reference-state Hamiltonian that samples all states efficiently is not straightforward. We propose a novel approach for the construction of the EDS reference-state Hamiltonian, related to a previously described procedure to smoothen energy landscapes. In contrast to previously suggested EDS approaches, our reference-state Hamiltonian preserves local energy minima of the combined end-states. Moreover, we propose an intuitive, robust and efficient parameter optimization scheme to tune EDS Hamiltonian parameters. We demonstrate the proposed method with established and novel test systems and conclude that our approach allows for the automated calculation of multiple free-energy differences from a single simulation. Accelerated EDS promises to be a robust and user-friendly method to compute free-energy differences based on solid statistical mechanics.

Deriving movement properties and the effect of the environment from the Brownian bridge movement model in monkeys and birds.

PubMed

Buchin, Kevin; Sijben, Stef; van Loon, E Emiel; Sapir, Nir; Mercier, Stéphanie; Marie Arseneau, T Jean; Willems, Erik P

2015-01-01

The Brownian bridge movement model (BBMM) provides a biologically sound approximation of the movement path of an animal based on discrete location data, and is a powerful method to quantify utilization distributions. Computing the utilization distribution based on the BBMM while calculating movement parameters directly from the location data, may result in inconsistent and misleading results. We show how the BBMM can be extended to also calculate derived movement parameters. Furthermore we demonstrate how to integrate environmental context into a BBMM-based analysis. We develop a computational framework to analyze animal movement based on the BBMM. In particular, we demonstrate how a derived movement parameter (relative speed) and its spatial distribution can be calculated in the BBMM. We show how to integrate our framework with the conceptual framework of the movement ecology paradigm in two related but acutely different ways, focusing on the influence that the environment has on animal movement. First, we demonstrate an a posteriori approach, in which the spatial distribution of average relative movement speed as obtained from a "contextually naïve" model is related to the local vegetation structure within the monthly ranging area of a group of wild vervet monkeys. Without a model like the BBMM it would not be possible to estimate such a spatial distribution of a parameter in a sound way. Second, we introduce an a priori approach in which atmospheric information is used to calculate a crucial parameter of the BBMM to investigate flight properties of migrating bee-eaters. This analysis shows significant differences in the characteristics of flight modes, which would have not been detected without using the BBMM. Our algorithm is the first of its kind to allow BBMM-based computation of movement parameters beyond the utilization distribution, and we present two case studies that demonstrate two fundamentally different ways in which our algorithm can be applied to estimate the spatial distribution of average relative movement speed, while interpreting it in a biologically meaningful manner, across a wide range of environmental scenarios and ecological contexts. Therefore movement parameters derived from the BBMM can provide a powerful method for movement ecology research.

A uniform technique for flood frequency analysis.

USGS Publications Warehouse

Thomas, W.O.

1985-01-01

This uniform technique consisted of fitting the logarithms of annual peak discharges to a Pearson Type III distribution using the method of moments. The objective was to adopt a consistent approach for the estimation of floodflow frequencies that could be used in computing average annual flood losses for project evaluation. In addition, a consistent approach was needed for defining equitable flood-hazard zones as part of the National Flood Insurance Program. -from ASCE Publications Information

MQW Optical Feedback Modulators And Phase Shifters

NASA Technical Reports Server (NTRS)

Jackson, Deborah J.

1995-01-01

Laser diodes equipped with proposed multiple-quantum-well (MQW) optical feedback modulators prove useful in variety of analog and digital optical-communication applications, including fiber-optic signal-distribution networks and high-speed, low-crosstalk interconnections among super computers or very-high-speed integrated circuits. Development exploits accompanying electro-optical aspect of QCSE - variation in index of refraction with applied electric field. Also exploits sensitivity of laser diodes to optical feedback. Approach is reverse of prior approach.

Kirkwood-Buff integrals of finite systems: shape effects

NASA Astrophysics Data System (ADS)

Dawass, Noura; Krüger, Peter; Simon, Jean-Marc; Vlugt, Thijs J. H.

2018-06-01

The Kirkwood-Buff (KB) theory provides an important connection between microscopic density fluctuations in liquids and macroscopic properties. Recently, Krüger et al. derived equations for KB integrals for finite subvolumes embedded in a reservoir. Using molecular simulation of finite systems, KB integrals can be computed either from density fluctuations inside such subvolumes, or from integrals of radial distribution functions (RDFs). Here, based on the second approach, we establish a framework to compute KB integrals for subvolumes with arbitrary convex shapes. This requires a geometric function w(x) which depends on the shape of the subvolume, and the relative position inside the subvolume. We present a numerical method to compute w(x) based on Umbrella Sampling Monte Carlo (MC). We compute KB integrals of a liquid with a model RDF for subvolumes with different shapes. KB integrals approach the thermodynamic limit in the same way: for sufficiently large volumes, KB integrals are a linear function of area over volume, which is independent of the shape of the subvolume.

The framework for simulation of bioinspired security mechanisms against network infrastructure attacks.

PubMed

Shorov, Andrey; Kotenko, Igor

2014-01-01

The paper outlines a bioinspired approach named "network nervous system" and methods of simulation of infrastructure attacks and protection mechanisms based on this approach. The protection mechanisms based on this approach consist of distributed procedures of information collection and processing, which coordinate the activities of the main devices of a computer network, identify attacks, and determine necessary countermeasures. Attacks and protection mechanisms are specified as structural models using a set-theoretic approach. An environment for simulation of protection mechanisms based on the biological metaphor is considered; the experiments demonstrating the effectiveness of the protection mechanisms are described.

A Rich Metadata Filesystem for Scientific Data

ERIC Educational Resources Information Center

Bui, Hoang

2012-01-01

As scientific research becomes more data intensive, there is an increasing need for scalable, reliable, and high performance storage systems. Such data repositories must provide both data archival services and rich metadata, and cleanly integrate with large scale computing resources. ROARS is a hybrid approach to distributed storage that provides…

A general algorithm for the construction of contour plots

NASA Technical Reports Server (NTRS)

Johnson, W.; Silva, F.

1981-01-01

An algorithm is described that performs the task of drawing equal level contours on a plane, which requires interpolation in two dimensions based on data prescribed at points distributed irregularly over the plane. The approach is described in detail. The computer program that implements the algorithm is documented and listed.

3D spectral imaging with synchrotron Fourier transform infrared spectro-microtomography

Treesearch

Michael C. Martin; Charlotte Dabat-Blondeau; Miriam Unger; Julia Sedlmair; Dilworth Y. Parkinson; Hans A. Bechtel; Barbara Illman; Jonathan M. Castro; Marco Keiluweit; David Buschke; Brenda Ogle; Michael J. Nasse; Carol J. Hirschmugl

2013-01-01

We report Fourier transform infrared spectro-microtomography, a nondestructive three-dimensional imaging approach that reveals the distribution of distinctive chemical compositions throughout an intact biological or materials sample. The method combines mid-infrared absorption contrast with computed tomographic data acquisition and reconstruction to enhance chemical...

Distributed Agent-Based Networks in Support of Advanced Marine Corps Command and Control Concept

DTIC Science & Technology

2012-09-01

clusters of managers and clients that form a hierarchical management framework (Figure 14). However, since it is SNMP-based, due to the size and...that are much less computationally intensive than other proposed approaches such as multivariate calculations of Pareto boundaries (Bordetsky and

The Effects of Variability and Risk in Selection Utility Analysis: An Empirical Comparison.

ERIC Educational Resources Information Center

Rich, Joseph R.; Boudreau, John W.

1987-01-01

Investigated utility estimate variability for the selection utility of using the Programmer Aptitude Test to select computer programmers. Comparison of Monte Carlo results to other risk assessment approaches (sensitivity analysis, break-even analysis, algebraic derivation of the distribtion) suggests that distribution information provided by Monte…

Benchmarking Memory Performance with the Data Cube Operator

NASA Technical Reports Server (NTRS)

Frumkin, Michael A.; Shabanov, Leonid V.

2004-01-01

Data movement across a computer memory hierarchy and across computational grids is known to be a limiting factor for applications processing large data sets. We use the Data Cube Operator on an Arithmetic Data Set, called ADC, to benchmark capabilities of computers and of computational grids to handle large distributed data sets. We present a prototype implementation of a parallel algorithm for computation of the operatol: The algorithm follows a known approach for computing views from the smallest parent. The ADC stresses all levels of grid memory and storage by producing some of 2d views of an Arithmetic Data Set of d-tuples described by a small number of integers. We control data intensity of the ADC by selecting the tuple parameters, the sizes of the views, and the number of realized views. Benchmarking results of memory performance of a number of computer architectures and of a small computational grid are presented.

Probabilistic Reasoning for Robustness in Automated Planning

NASA Technical Reports Server (NTRS)

Schaffer, Steven; Clement, Bradley; Chien, Steve

2007-01-01

A general-purpose computer program for planning the actions of a spacecraft or other complex system has been augmented by incorporating a subprogram that reasons about uncertainties in such continuous variables as times taken to perform tasks and amounts of resources to be consumed. This subprogram computes parametric probability distributions for time and resource variables on the basis of user-supplied models of actions and resources that they consume. The current system accepts bounded Gaussian distributions over action duration and resource use. The distributions are then combined during planning to determine the net probability distribution of each resource at any time point. In addition to a full combinatoric approach, several approximations for arriving at these combined distributions are available, including maximum-likelihood and pessimistic algorithms. Each such probability distribution can then be integrated to obtain a probability that execution of the plan under consideration would violate any constraints on the resource. The key idea is to use these probabilities of conflict to score potential plans and drive a search toward planning low-risk actions. An output plan provides a balance between the user s specified averseness to risk and other measures of optimality.

Ensemble modeling of stochastic unsteady open-channel flow in terms of its time-space evolutionary probability distribution - Part 2: numerical application

NASA Astrophysics Data System (ADS)

Dib, Alain; Kavvas, M. Levent

2018-03-01

The characteristic form of the Saint-Venant equations is solved in a stochastic setting by using a newly proposed Fokker-Planck Equation (FPE) methodology. This methodology computes the ensemble behavior and variability of the unsteady flow in open channels by directly solving for the flow variables' time-space evolutionary probability distribution. The new methodology is tested on a stochastic unsteady open-channel flow problem, with an uncertainty arising from the channel's roughness coefficient. The computed statistical descriptions of the flow variables are compared to the results obtained through Monte Carlo (MC) simulations in order to evaluate the performance of the FPE methodology. The comparisons show that the proposed methodology can adequately predict the results of the considered stochastic flow problem, including the ensemble averages, variances, and probability density functions in time and space. Unlike the large number of simulations performed by the MC approach, only one simulation is required by the FPE methodology. Moreover, the total computational time of the FPE methodology is smaller than that of the MC approach, which could prove to be a particularly crucial advantage in systems with a large number of uncertain parameters. As such, the results obtained in this study indicate that the proposed FPE methodology is a powerful and time-efficient approach for predicting the ensemble average and variance behavior, in both space and time, for an open-channel flow process under an uncertain roughness coefficient.

Localized overlap algorithm for unexpanded dispersion energies

NASA Astrophysics Data System (ADS)

Rob, Fazle; Misquitta, Alston J.; Podeszwa, Rafał; Szalewicz, Krzysztof

2014-03-01

First-principles-based, linearly scaling algorithm has been developed for calculations of dispersion energies from frequency-dependent density susceptibility (FDDS) functions with account of charge-overlap effects. The transition densities in FDDSs are fitted by a set of auxiliary atom-centered functions. The terms in the dispersion energy expression involving products of such functions are computed using either the unexpanded (exact) formula or from inexpensive asymptotic expansions, depending on the location of these functions relative to the dimer configuration. This approach leads to significant savings of computational resources. In particular, for a dimer consisting of two elongated monomers with 81 atoms each in a head-to-head configuration, the most favorable case for our algorithm, a 43-fold speedup has been achieved while the approximate dispersion energy differs by less than 1% from that computed using the standard unexpanded approach. In contrast, the dispersion energy computed from the distributed asymptotic expansion differs by dozens of percent in the van der Waals minimum region. A further increase of the size of each monomer would result in only small increased costs since all the additional terms would be computed from the asymptotic expansion.

Paradox of integration — mean field approach

NASA Astrophysics Data System (ADS)

Kułakowski, Krzysztof; Gronek, Piotr; Borzì, Alfio

Recently, a computational model has been proposed of the social integration, as described in sociological terms by Blau. In this model, actors praise or critique each other, and these actions influence their social status and raise negative or positive emotions. The role of a self-deprecating strategy of actors with high social status has also been discussed there. Here, we develop a mean field approach, where the active and passive roles (praising and being praised, etc.) are decoupled. The phase transition from friendly to hostile emotions has been reproduced, similarly to the previously applied purely computational approach. For both phases, we investigate the time dependence of the distribution of social status. There we observe a diffusive spread, which — after some transient time — appears to be limited from below or from above, depending on the phase. As a consequence, the mean status flows.

Combining Computational Fluid Dynamics and Agent-Based Modeling: A New Approach to Evacuation Planning

PubMed Central

Epstein, Joshua M.; Pankajakshan, Ramesh; Hammond, Ross A.

2011-01-01

We introduce a novel hybrid of two fields—Computational Fluid Dynamics (CFD) and Agent-Based Modeling (ABM)—as a powerful new technique for urban evacuation planning. CFD is a predominant technique for modeling airborne transport of contaminants, while ABM is a powerful approach for modeling social dynamics in populations of adaptive individuals. The hybrid CFD-ABM method is capable of simulating how large, spatially-distributed populations might respond to a physically realistic contaminant plume. We demonstrate the overall feasibility of CFD-ABM evacuation design, using the case of a hypothetical aerosol release in Los Angeles to explore potential effectiveness of various policy regimes. We conclude by arguing that this new approach can be powerfully applied to arbitrary population centers, offering an unprecedented preparedness and catastrophic event response tool. PMID:21687788

Intercell scheduling: A negotiation approach using multi-agent coalitions

NASA Astrophysics Data System (ADS)

Tian, Yunna; Li, Dongni; Zheng, Dan; Jia, Yunde

2016-10-01

Intercell scheduling problems arise as a result of intercell transfers in cellular manufacturing systems. Flexible intercell routes are considered in this article, and a coalition-based scheduling (CBS) approach using distributed multi-agent negotiation is developed. Taking advantage of the extended vision of the coalition agents, the global optimization is improved and the communication cost is reduced. The objective of the addressed problem is to minimize mean tardiness. Computational results show that, compared with the widely used combinatorial rules, CBS provides better performance not only in minimizing the objective, i.e. mean tardiness, but also in minimizing auxiliary measures such as maximum completion time, mean flow time and the ratio of tardy parts. Moreover, CBS is better than the existing intercell scheduling approach for the same problem with respect to the solution quality and computational costs.

Optimal Power Flow for Distribution Systems under Uncertain Forecasts: Preprint

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

Dall'Anese, Emiliano; Baker, Kyri; Summers, Tyler

2016-12-01

The paper focuses on distribution systems featuring renewable energy sources and energy storage devices, and develops an optimal power flow (OPF) approach to optimize the system operation in spite of forecasting errors. The proposed method builds on a chance-constrained multi-period AC OPF formulation, where probabilistic constraints are utilized to enforce voltage regulation with a prescribed probability. To enable a computationally affordable solution approach, a convex reformulation of the OPF task is obtained by resorting to i) pertinent linear approximations of the power flow equations, and ii) convex approximations of the chance constraints. Particularly, the approximate chance constraints provide conservative boundsmore » that hold for arbitrary distributions of the forecasting errors. An adaptive optimization strategy is then obtained by embedding the proposed OPF task into a model predictive control framework.« less

Nuclear spin noise in the central spin model

NASA Astrophysics Data System (ADS)

Fröhling, Nina; Anders, Frithjof B.; Glazov, Mikhail

2018-05-01

We study theoretically the fluctuations of the nuclear spins in quantum dots employing the central spin model which accounts for the hyperfine interaction of the nuclei with the electron spin. These fluctuations are calculated both with an analytical approach using homogeneous hyperfine couplings (box model) and with a numerical simulation using a distribution of hyperfine coupling constants. The approaches are in good agreement. The box model serves as a benchmark with low computational cost that explains the basic features of the nuclear spin noise well. We also demonstrate that the nuclear spin noise spectra comprise a two-peak structure centered at the nuclear Zeeman frequency in high magnetic fields with the shape of the spectrum controlled by the distribution of the hyperfine constants. This allows for direct access to this distribution function through nuclear spin noise spectroscopy.

Parallel Simulation of Three-Dimensional Free Surface Fluid Flow Problems

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

BAER,THOMAS A.; SACKINGER,PHILIP A.; SUBIA,SAMUEL R.

1999-10-14

Simulation of viscous three-dimensional fluid flow typically involves a large number of unknowns. When free surfaces are included, the number of unknowns increases dramatically. Consequently, this class of problem is an obvious application of parallel high performance computing. We describe parallel computation of viscous, incompressible, free surface, Newtonian fluid flow problems that include dynamic contact fines. The Galerkin finite element method was used to discretize the fully-coupled governing conservation equations and a ''pseudo-solid'' mesh mapping approach was used to determine the shape of the free surface. In this approach, the finite element mesh is allowed to deform to satisfy quasi-staticmore » solid mechanics equations subject to geometric or kinematic constraints on the boundaries. As a result, nodal displacements must be included in the set of unknowns. Other issues discussed are the proper constraints appearing along the dynamic contact line in three dimensions. Issues affecting efficient parallel simulations include problem decomposition to equally distribute computational work among a SPMD computer and determination of robust, scalable preconditioners for the distributed matrix systems that must be solved. Solution continuation strategies important for serial simulations have an enhanced relevance in a parallel coquting environment due to the difficulty of solving large scale systems. Parallel computations will be demonstrated on an example taken from the coating flow industry: flow in the vicinity of a slot coater edge. This is a three dimensional free surface problem possessing a contact line that advances at the web speed in one region but transitions to static behavior in another region. As such, a significant fraction of the computational time is devoted to processing boundary data. Discussion focuses on parallel speed ups for fixed problem size, a class of problems of immediate practical importance.« less

New Approaches to the Computer Simulation of Amorphous Alloys: A Review.

PubMed

Valladares, Ariel A; Díaz-Celaya, Juan A; Galván-Colín, Jonathan; Mejía-Mendoza, Luis M; Reyes-Retana, José A; Valladares, Renela M; Valladares, Alexander; Alvarez-Ramirez, Fernando; Qu, Dongdong; Shen, Jun

2011-04-13

In this work we review our new methods to computer generate amorphous atomic topologies of several binary alloys: SiH, SiN, CN; binary systems based on group IV elements like SiC; the GeSe 2 chalcogenide; aluminum-based systems: AlN and AlSi, and the CuZr amorphous alloy. We use an ab initio approach based on density functionals and computationally thermally-randomized periodically-continued cells with at least 108 atoms. The computational thermal process to generate the amorphous alloys is the undermelt-quench approach, or one of its variants, that consists in linearly heating the samples to just below their melting (or liquidus) temperatures, and then linearly cooling them afterwards. These processes are carried out from initial crystalline conditions using short and long time steps. We find that a step four-times the default time step is adequate for most of the simulations. Radial distribution functions (partial and total) are calculated and compared whenever possible with experimental results, and the agreement is very good. For some materials we report studies of the effect of the topological disorder on their electronic and vibrational densities of states and on their optical properties.

New Approaches to the Computer Simulation of Amorphous Alloys: A Review

PubMed Central

Valladares, Ariel A.; Díaz-Celaya, Juan A.; Galván-Colín, Jonathan; Mejía-Mendoza, Luis M.; Reyes-Retana, José A.; Valladares, Renela M.; Valladares, Alexander; Alvarez-Ramirez, Fernando; Qu, Dongdong; Shen, Jun

2011-01-01

In this work we review our new methods to computer generate amorphous atomic topologies of several binary alloys: SiH, SiN, CN; binary systems based on group IV elements like SiC; the GeSe2 chalcogenide; aluminum-based systems: AlN and AlSi, and the CuZr amorphous alloy. We use an ab initio approach based on density functionals and computationally thermally-randomized periodically-continued cells with at least 108 atoms. The computational thermal process to generate the amorphous alloys is the undermelt-quench approach, or one of its variants, that consists in linearly heating the samples to just below their melting (or liquidus) temperatures, and then linearly cooling them afterwards. These processes are carried out from initial crystalline conditions using short and long time steps. We find that a step four-times the default time step is adequate for most of the simulations. Radial distribution functions (partial and total) are calculated and compared whenever possible with experimental results, and the agreement is very good. For some materials we report studies of the effect of the topological disorder on their electronic and vibrational densities of states and on their optical properties. PMID:28879948

Some analytical models to estimate maternal age at birth using age-specific fertility rates.

PubMed

Pandey, A; Suchindran, C M

1995-01-01

"A class of analytical models to study the distribution of maternal age at different births from the data on age-specific fertility rates has been presented. Deriving the distributions and means of maternal age at birth of any specific order, final parity and at next-to-last birth, we have extended the approach to estimate parity progression ratios and the ultimate parity distribution of women in the population.... We illustrate computations of various components of the model expressions with the current fertility experiences of the United States for 1970." excerpt

Estimation of lifetime distributions on 1550-nm DFB laser diodes using Monte-Carlo statistic computations

NASA Astrophysics Data System (ADS)

Deshayes, Yannick; Verdier, Frederic; Bechou, Laurent; Tregon, Bernard; Danto, Yves; Laffitte, Dominique; Goudard, Jean Luc

2004-09-01

High performance and high reliability are two of the most important goals driving the penetration of optical transmission into telecommunication systems ranging from 880 nm to 1550 nm. Lifetime prediction defined as the time at which a parameter reaches its maximum acceptable shirt still stays the main result in terms of reliability estimation for a technology. For optoelectronic emissive components, selection tests and life testing are specifically used for reliability evaluation according to Telcordia GR-468 CORE requirements. This approach is based on extrapolation of degradation laws, based on physics of failure and electrical or optical parameters, allowing both strong test time reduction and long-term reliability prediction. Unfortunately, in the case of mature technology, there is a growing complexity to calculate average lifetime and failure rates (FITs) using ageing tests in particular due to extremely low failure rates. For present laser diode technologies, time to failure tend to be 106 hours aged under typical conditions (Popt=10 mW and T=80°C). These ageing tests must be performed on more than 100 components aged during 10000 hours mixing different temperatures and drive current conditions conducting to acceleration factors above 300-400. These conditions are high-cost, time consuming and cannot give a complete distribution of times to failure. A new approach consists in use statistic computations to extrapolate lifetime distribution and failure rates in operating conditions from physical parameters of experimental degradation laws. In this paper, Distributed Feedback single mode laser diodes (DFB-LD) used for 1550 nm telecommunication network working at 2.5 Gbit/s transfer rate are studied. Electrical and optical parameters have been measured before and after ageing tests, performed at constant current, according to Telcordia GR-468 requirements. Cumulative failure rates and lifetime distributions are computed using statistic calculations and equations of drift mechanisms versus time fitted from experimental measurements.

A Mixtures-of-Trees Framework for Multi-Label Classification

PubMed Central

Hong, Charmgil; Batal, Iyad; Hauskrecht, Milos

2015-01-01

We propose a new probabilistic approach for multi-label classification that aims to represent the class posterior distribution P(Y|X). Our approach uses a mixture of tree-structured Bayesian networks, which can leverage the computational advantages of conditional tree-structured models and the abilities of mixtures to compensate for tree-structured restrictions. We develop algorithms for learning the model from data and for performing multi-label predictions using the learned model. Experiments on multiple datasets demonstrate that our approach outperforms several state-of-the-art multi-label classification methods. PMID:25927011

A Mixed-Fidelity Approach for Design of Low-Boom Supersonic Aircraft

NASA Technical Reports Server (NTRS)

Li, Wu; Shields, Elwood; Geiselhart, Karl A.

2010-01-01

This paper documents a mixed-fidelity approach for the design of low-boom supersonic aircraft as a viable approach for designing a practical low-boom supersonic configuration. A low-boom configuration that is based on low-fidelity analysis is used as the baseline. Tail lift is included to help tailor the aft portion of the ground signature. A comparison of low- and high-fidelity analysis results demonstrates the necessity of using computational fluid dynamics (CFD) analysis in a low-boom supersonic configuration design process. The fuselage shape is modified iteratively to obtain a configuration with a CFD equivalent-area distribution that matches a predetermined low-boom target distribution. The mixed-fidelity approach can easily refine the low-fidelity low-boom baseline into a low-boom configuration with the use of CFD equivalent-area analysis. The ground signature of the final configuration is calculated by using a state-of-the-art CFD-based boom analysis method that generates accurate midfield pressure distributions for propagation to the ground with ray tracing. The ground signature that is propagated from a midfield pressure distribution has a shaped ramp front, which is similar to the ground signature that is propagated from the CFD equivalent-area distribution. This result confirms the validity of the low-boom supersonic configuration design by matching a low-boom equivalent-area target, which is easier to accomplish than matching a low-boom midfield pressure target.

Particle systems for adaptive, isotropic meshing of CAD models

PubMed Central

Levine, Joshua A.; Whitaker, Ross T.

2012-01-01

We present a particle-based approach for generating adaptive triangular surface and tetrahedral volume meshes from computer-aided design models. Input shapes are treated as a collection of smooth, parametric surface patches that can meet non-smoothly on boundaries. Our approach uses a hierarchical sampling scheme that places particles on features in order of increasing dimensionality. These particles reach a good distribution by minimizing an energy computed in 3D world space, with movements occurring in the parametric space of each surface patch. Rather than using a pre-computed measure of feature size, our system automatically adapts to both curvature as well as a notion of topological separation. It also enforces a measure of smoothness on these constraints to construct a sizing field that acts as a proxy to piecewise-smooth feature size. We evaluate our technique with comparisons against other popular triangular meshing techniques for this domain. PMID:23162181

Modeling and Simulation of High Dimensional Stochastic Multiscale PDE Systems at the Exascale

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

Kevrekidis, Ioannis

2017-03-22

The thrust of the proposal was to exploit modern data-mining tools in a way that will create a systematic, computer-assisted approach to the representation of random media -- and also to the representation of the solutions of an array of important physicochemical processes that take place in/on such media. A parsimonious representation/parametrization of the random media links directly (via uncertainty quantification tools) to good sampling of the distribution of random media realizations. It also links directly to modern multiscale computational algorithms (like the equation-free approach that has been developed in our group) and plays a crucial role in accelerating themore » scientific computation of solutions of nonlinear PDE models (deterministic or stochastic) in such media – both solutions in particular realizations of the random media, and estimation of the statistics of the solutions over multiple realizations (e.g. expectations).« less

Self-powered information measuring wireless networks using the distribution of tasks within multicore processors

NASA Astrophysics Data System (ADS)

Zhuravska, Iryna M.; Koretska, Oleksandra O.; Musiyenko, Maksym P.; Surtel, Wojciech; Assembay, Azat; Kovalev, Vladimir; Tleshova, Akmaral

2017-08-01

The article contains basic approaches to develop the self-powered information measuring wireless networks (SPIM-WN) using the distribution of tasks within multicore processors critical applying based on the interaction of movable components - as in the direction of data transmission as wireless transfer of energy coming from polymetric sensors. Base mathematic model of scheduling tasks within multiprocessor systems was modernized to schedule and allocate tasks between cores of one-crystal computer (SoC) to increase energy efficiency SPIM-WN objects.

Resource Management In Peer-To-Peer Networks: A Nadse Approach

NASA Astrophysics Data System (ADS)

Patel, R. B.; Garg, Vishal

2011-12-01

This article presents a common solution to Peer-to-Peer (P2P) network problems and distributed computing with the help of "Neighbor Assisted Distributed and Scalable Environment" (NADSE). NADSE supports both device and code mobility. In this article mainly we focus on the NADSE based resource management technique. How information dissemination and searching is speedup when using the NADSE service provider node in large network. Results show that performance of the NADSE network is better in comparison to Gnutella, and Freenet.

Clinical Physiologic Research Instrumentation: An Approach Using Modular Elements and Distributed Processing

PubMed Central

Hagen, R. W.; Ambos, H. D.; Browder, M. W.; Roloff, W. R.; Thomas, L. J.

1979-01-01

The Clinical Physiologic Research System (CPRS) developed from our experience in applying computers to medical instrumentation problems. This experience revealed a set of applications with a commonality in data acquisition, analysis, input/output, and control needs that could be met by a portable system. The CPRS demonstrates a practical methodology for integrating commercial instruments with distributed modular elements of local design in order to make facile responses to changing instrumentation needs in clinical environments. ImagesFigure 3

A Complex Network Theory Approach for the Spatial Distribution of Fire Breaks in Heterogeneous Forest Landscapes for the Control of Wildland Fires

PubMed Central

Russo, Lucia; Russo, Paola; Siettos, Constantinos I.

2016-01-01

Based on complex network theory, we propose a computational methodology which addresses the spatial distribution of fuel breaks for the inhibition of the spread of wildland fires on heterogeneous landscapes. This is a two-level approach where the dynamics of fire spread are modeled as a random Markov field process on a directed network whose edge weights are determined by a Cellular Automata model that integrates detailed GIS, landscape and meteorological data. Within this framework, the spatial distribution of fuel breaks is reduced to the problem of finding network nodes (small land patches) which favour fire propagation. Here, this is accomplished by exploiting network centrality statistics. We illustrate the proposed approach through (a) an artificial forest of randomly distributed density of vegetation, and (b) a real-world case concerning the island of Rhodes in Greece whose major part of its forest was burned in 2008. Simulation results show that the proposed methodology outperforms the benchmark/conventional policy of fuel reduction as this can be realized by selective harvesting and/or prescribed burning based on the density and flammability of vegetation. Interestingly, our approach reveals that patches with sparse density of vegetation may act as hubs for the spread of the fire. PMID:27780249

A Complex Network Theory Approach for the Spatial Distribution of Fire Breaks in Heterogeneous Forest Landscapes for the Control of Wildland Fires.

PubMed

Russo, Lucia; Russo, Paola; Siettos, Constantinos I

2016-01-01

Based on complex network theory, we propose a computational methodology which addresses the spatial distribution of fuel breaks for the inhibition of the spread of wildland fires on heterogeneous landscapes. This is a two-level approach where the dynamics of fire spread are modeled as a random Markov field process on a directed network whose edge weights are determined by a Cellular Automata model that integrates detailed GIS, landscape and meteorological data. Within this framework, the spatial distribution of fuel breaks is reduced to the problem of finding network nodes (small land patches) which favour fire propagation. Here, this is accomplished by exploiting network centrality statistics. We illustrate the proposed approach through (a) an artificial forest of randomly distributed density of vegetation, and (b) a real-world case concerning the island of Rhodes in Greece whose major part of its forest was burned in 2008. Simulation results show that the proposed methodology outperforms the benchmark/conventional policy of fuel reduction as this can be realized by selective harvesting and/or prescribed burning based on the density and flammability of vegetation. Interestingly, our approach reveals that patches with sparse density of vegetation may act as hubs for the spread of the fire.

Multiscale Simulation of Porous Ceramics Based on Movable Cellular Automaton Method

NASA Astrophysics Data System (ADS)

Smolin, A.; Smolin, I.; Eremina, G.; Smolina, I.

2017-10-01

The paper presents a model for simulating mechanical behaviour of multiscale porous ceramics based on movable cellular automaton method, which is a novel particle method in computational mechanics of solid. The initial scale of the proposed approach corresponds to the characteristic size of the smallest pores in the ceramics. At this scale, we model uniaxial compression of several representative samples with an explicit account of pores of the same size but with the random unique position in space. As a result, we get the average values of Young’s modulus and strength, as well as the parameters of the Weibull distribution of these properties at the current scale level. These data allow us to describe the material behaviour at the next scale level were only the larger pores are considered explicitly, while the influence of small pores is included via the effective properties determined at the previous scale level. If the pore size distribution function of the material has N maxima we need to perform computations for N - 1 levels in order to get the properties from the lowest scale up to the macroscale step by step. The proposed approach was applied to modelling zirconia ceramics with bimodal pore size distribution. The obtained results show correct behaviour of the model sample at the macroscale.

An optimal control strategy for hybrid actuator systems: Application to an artificial muscle with electric motor assist.

PubMed

Ishihara, Koji; Morimoto, Jun

2018-03-01

Humans use multiple muscles to generate such joint movements as an elbow motion. With multiple lightweight and compliant actuators, joint movements can also be efficiently generated. Similarly, robots can use multiple actuators to efficiently generate a one degree of freedom movement. For this movement, the desired joint torque must be properly distributed to each actuator. One approach to cope with this torque distribution problem is an optimal control method. However, solving the optimal control problem at each control time step has not been deemed a practical approach due to its large computational burden. In this paper, we propose a computationally efficient method to derive an optimal control strategy for a hybrid actuation system composed of multiple actuators, where each actuator has different dynamical properties. We investigated a singularly perturbed system of the hybrid actuator model that subdivided the original large-scale control problem into smaller subproblems so that the optimal control outputs for each actuator can be derived at each control time step and applied our proposed method to our pneumatic-electric hybrid actuator system. Our method derived a torque distribution strategy for the hybrid actuator by dealing with the difficulty of solving real-time optimal control problems. Copyright © 2017 The Author(s). Published by Elsevier Ltd.. All rights reserved.

Iterative load-balancing method with multigrid level relaxation for particle simulation with short-range interactions

NASA Astrophysics Data System (ADS)

Furuichi, Mikito; Nishiura, Daisuke

2017-10-01

We developed dynamic load-balancing algorithms for Particle Simulation Methods (PSM) involving short-range interactions, such as Smoothed Particle Hydrodynamics (SPH), Moving Particle Semi-implicit method (MPS), and Discrete Element method (DEM). These are needed to handle billions of particles modeled in large distributed-memory computer systems. Our method utilizes flexible orthogonal domain decomposition, allowing the sub-domain boundaries in the column to be different for each row. The imbalances in the execution time between parallel logical processes are treated as a nonlinear residual. Load-balancing is achieved by minimizing the residual within the framework of an iterative nonlinear solver, combined with a multigrid technique in the local smoother. Our iterative method is suitable for adjusting the sub-domain frequently by monitoring the performance of each computational process because it is computationally cheaper in terms of communication and memory costs than non-iterative methods. Numerical tests demonstrated the ability of our approach to handle workload imbalances arising from a non-uniform particle distribution, differences in particle types, or heterogeneous computer architecture which was difficult with previously proposed methods. We analyzed the parallel efficiency and scalability of our method using Earth simulator and K-computer supercomputer systems.

Use of the ventricular propagated excitation model in the magnetocardiographic inverse problem for reconstruction of electrophysiological properties.

PubMed

Ohyu, Shigeharu; Okamoto, Yoshiwo; Kuriki, Shinya

2002-06-01

A novel magnetocardiographic inverse method for reconstructing the action potential amplitude (APA) and the activation time (AT) on the ventricular myocardium is proposed. This method is based on the propagated excitation model, in which the excitation is propagated through the ventricle with nonuniform height of action potential. Assumption of stepwise waveform on the transmembrane potential was introduced in the model. Spatial gradient of transmembrane potential, which is defined by APA and AT distributed in the ventricular wall, is used for the computation of a current source distribution. Based on this source model, the distributions of APA and AT are inversely reconstructed from the QRS interval of magnetocardiogram (MCG) utilizing a maximum a posteriori approach. The proposed reconstruction method was tested through computer simulations. Stability of the methods with respect to measurement noise was demonstrated. When reference APA was provided as a uniform distribution, root-mean-square errors of estimated APA were below 10 mV for MCG signal-to-noise ratios greater than, or equal to, 20 dB. Low-amplitude regions located at several sites in reference APA distributions were correctly reproduced in reconstructed APA distributions. The goal of our study is to develop a method for detecting myocardial ischemia through the depression of reconstructed APA distributions.

Development of a Renormalization Group Approach to Multi-Scale Plasma Physics Computation

DTIC Science & Technology

2012-03-28

with a collection of information if it does not display a currently valid OMB control number. PLEASE DO NOT RETURN YOUR FORM TO THE ABOVE ADDRESS. 1...NUMBER(S) 12. DISTRIBUTION/AVAILABILITY STATEMENT 13. SUPPLEMENTARY NOTES 14. ABSTRACT 15. SUBJECT TERMS 16. SECURITY CLASSIFICATION OF: a . REPORT...code) 29-12-2008 Final Technical Report From 29-12-2008 To 16-95-2011 (STTR PHASE II) DEVELOPMENT OF A RENORMALIZATION GROUP APPROACH TO MULTI-SCALE

Exploratory Modeling and the use of Simulation for Policy Analysis

DTIC Science & Technology

1992-01-01

and the Use of Simulation for Policy Analysis Steven C. Barikes Prepared for the United States Army R A N D Approved for public release; distribution...Research, Vol. 39, No. 3, May-June 1991, pp. 355-365. Lipton, Richard J ., Thomas G. Marr, and J . Douglas Welsh, "Computational Approaches to Discovering...the Visual Cortex, John Wiley & Sons, New York, 1985. / -30- Rothenberg, J ., N. Z. Shapiro, and C. Hefley, "A Propagative’ Approach to Sensitivity

Tools and Techniques for Adding Fault Tolerance to Distributed and Parallel Programs

DTIC Science & Technology

1991-12-07

is rapidly approaching dimensions where fault tolerance can no longer be ignored. No matter how reliable the i .nd~ividual components May be, the...The scale of parallel computing systems is rapidly approaching dimensions where 41to’- erance can no longer be ignored. No matter how relitble the...those employed in the Tandem [71 and Stratus [35] systems, is clearly impractical. * No matter how reliable the individual components are, the sheer

On the effects of alternative optima in context-specific metabolic model predictions

PubMed Central

Nikoloski, Zoran

2017-01-01

The integration of experimental data into genome-scale metabolic models can greatly improve flux predictions. This is achieved by restricting predictions to a more realistic context-specific domain, like a particular cell or tissue type. Several computational approaches to integrate data have been proposed—generally obtaining context-specific (sub)models or flux distributions. However, these approaches may lead to a multitude of equally valid but potentially different models or flux distributions, due to possible alternative optima in the underlying optimization problems. Although this issue introduces ambiguity in context-specific predictions, it has not been generally recognized, especially in the case of model reconstructions. In this study, we analyze the impact of alternative optima in four state-of-the-art context-specific data integration approaches, providing both flux distributions and/or metabolic models. To this end, we present three computational methods and apply them to two particular case studies: leaf-specific predictions from the integration of gene expression data in a metabolic model of Arabidopsis thaliana, and liver-specific reconstructions derived from a human model with various experimental data sources. The application of these methods allows us to obtain the following results: (i) we sample the space of alternative flux distributions in the leaf- and the liver-specific case and quantify the ambiguity of the predictions. In addition, we show how the inclusion of ℓ1-regularization during data integration reduces the ambiguity in both cases. (ii) We generate sets of alternative leaf- and liver-specific models that are optimal to each one of the evaluated model reconstruction approaches. We demonstrate that alternative models of the same context contain a marked fraction of disparate reactions. Further, we show that a careful balance between model sparsity and metabolic functionality helps in reducing the discrepancies between alternative models. Finally, our findings indicate that alternative optima must be taken into account for rendering the context-specific metabolic model predictions less ambiguous. PMID:28557990

On the effects of alternative optima in context-specific metabolic model predictions.

PubMed

Robaina-Estévez, Semidán; Nikoloski, Zoran

2017-05-01

The integration of experimental data into genome-scale metabolic models can greatly improve flux predictions. This is achieved by restricting predictions to a more realistic context-specific domain, like a particular cell or tissue type. Several computational approaches to integrate data have been proposed-generally obtaining context-specific (sub)models or flux distributions. However, these approaches may lead to a multitude of equally valid but potentially different models or flux distributions, due to possible alternative optima in the underlying optimization problems. Although this issue introduces ambiguity in context-specific predictions, it has not been generally recognized, especially in the case of model reconstructions. In this study, we analyze the impact of alternative optima in four state-of-the-art context-specific data integration approaches, providing both flux distributions and/or metabolic models. To this end, we present three computational methods and apply them to two particular case studies: leaf-specific predictions from the integration of gene expression data in a metabolic model of Arabidopsis thaliana, and liver-specific reconstructions derived from a human model with various experimental data sources. The application of these methods allows us to obtain the following results: (i) we sample the space of alternative flux distributions in the leaf- and the liver-specific case and quantify the ambiguity of the predictions. In addition, we show how the inclusion of ℓ1-regularization during data integration reduces the ambiguity in both cases. (ii) We generate sets of alternative leaf- and liver-specific models that are optimal to each one of the evaluated model reconstruction approaches. We demonstrate that alternative models of the same context contain a marked fraction of disparate reactions. Further, we show that a careful balance between model sparsity and metabolic functionality helps in reducing the discrepancies between alternative models. Finally, our findings indicate that alternative optima must be taken into account for rendering the context-specific metabolic model predictions less ambiguous.

The mechanical behavior of metal alloys with grain size distribution in a wide range of strain rates

NASA Astrophysics Data System (ADS)

Skripnyak, V. A.; Skripnyak, V. V.; Skripnyak, E. G.

2017-12-01

The paper discusses a multiscale simulation approach for the construction of grain structure of metals and alloys, providing high tensile strength with ductility. This work compares the mechanical behavior of light alloys and the influence of the grain size distribution in a wide range of strain rates. The influence of the grain size distribution on the inelastic deformation and fracture of aluminium and magnesium alloys is investigated by computer simulations in a wide range of strain rates. It is shown that the yield stress depends on the logarithm of the normalized strain rate for light alloys with a bimodal grain distribution and coarse-grained structure.

Static and free-vibration analyses of cracks in thin-shell structures based on an isogeometric-meshfree coupling approach

NASA Astrophysics Data System (ADS)

Nguyen-Thanh, Nhon; Li, Weidong; Zhou, Kun

2018-03-01

This paper develops a coupling approach which integrates the meshfree method and isogeometric analysis (IGA) for static and free-vibration analyses of cracks in thin-shell structures. In this approach, the domain surrounding the cracks is represented by the meshfree method while the rest domain is meshed by IGA. The present approach is capable of preserving geometry exactness and high continuity of IGA. The local refinement is achieved by adding the nodes along the background cells in the meshfree domain. Moreover, the equivalent domain integral technique for three-dimensional problems is derived from the additional Kirchhoff-Love theory to compute the J-integral for the thin-shell model. The proposed approach is able to address the problems involving through-the-thickness cracks without using additional rotational degrees of freedom, which facilitates the enrichment strategy for crack tips. The crack tip enrichment effects and the stress distribution and displacements around the crack tips are investigated. Free vibrations of cracks in thin shells are also analyzed. Numerical examples are presented to demonstrate the accuracy and computational efficiency of the coupling approach.

Optimal simulations of ultrasonic fields produced by large thermal therapy arrays using the angular spectrum approach

PubMed Central

Zeng, Xiaozheng; McGough, Robert J.

2009-01-01

The angular spectrum approach is evaluated for the simulation of focused ultrasound fields produced by large thermal therapy arrays. For an input pressure or normal particle velocity distribution in a plane, the angular spectrum approach rapidly computes the output pressure field in a three dimensional volume. To determine the optimal combination of simulation parameters for angular spectrum calculations, the effect of the size, location, and the numerical accuracy of the input plane on the computed output pressure is evaluated. Simulation results demonstrate that angular spectrum calculations performed with an input pressure plane are more accurate than calculations with an input velocity plane. Results also indicate that when the input pressure plane is slightly larger than the array aperture and is located approximately one wavelength from the array, angular spectrum simulations have very small numerical errors for two dimensional planar arrays. Furthermore, the root mean squared error from angular spectrum simulations asymptotically approaches a nonzero lower limit as the error in the input plane decreases. Overall, the angular spectrum approach is an accurate and robust method for thermal therapy simulations of large ultrasound phased arrays when the input pressure plane is computed with the fast nearfield method and an optimal combination of input parameters. PMID:19425640

Renormalized coupled cluster approaches in the cluster-in-molecule framework: predicting vertical electron binding energies of the anionic water clusters (H2O)(n)(-).

PubMed

Xu, Peng; Gordon, Mark S

2014-09-04

Anionic water clusters are generally considered to be extremely challenging to model using fragmentation approaches due to the diffuse nature of the excess electron distribution. The local correlation coupled cluster (CC) framework cluster-in-molecule (CIM) approach combined with the completely renormalized CR-CC(2,3) method [abbreviated CIM/CR-CC(2,3)] is shown to be a viable alternative for computing the vertical electron binding energies (VEBE). CIM/CR-CC(2,3) with the threshold parameter ζ set to 0.001, as a trade-off between accuracy and computational cost, demonstrates the reliability of predicting the VEBE, with an average percentage error of ∼15% compared to the full ab initio calculation at the same level of theory. The errors are predominantly from the electron correlation energy. The CIM/CR-CC(2,3) approach provides the ease of a black-box type calculation with few threshold parameters to manipulate. The cluster sizes that can be studied by high-level ab initio methods are significantly increased in comparison with full CC calculations. Therefore, the VEBE computed by the CIM/CR-CC(2,3) method can be used as benchmarks for testing model potential approaches in small-to-intermediate-sized water clusters.

Cloud computing approaches for prediction of ligand binding poses and pathways.

PubMed

Lawrenz, Morgan; Shukla, Diwakar; Pande, Vijay S

2015-01-22

We describe an innovative protocol for ab initio prediction of ligand crystallographic binding poses and highly effective analysis of large datasets generated for protein-ligand dynamics. We include a procedure for setup and performance of distributed molecular dynamics simulations on cloud computing architectures, a model for efficient analysis of simulation data, and a metric for evaluation of model convergence. We give accurate binding pose predictions for five ligands ranging in affinity from 7 nM to > 200 μM for the immunophilin protein FKBP12, for expedited results in cases where experimental structures are difficult to produce. Our approach goes beyond single, low energy ligand poses to give quantitative kinetic information that can inform protein engineering and ligand design.

An Efficient Buyer-Seller Watermarking Protocol Based on Chameleon Encryption

NASA Astrophysics Data System (ADS)

Poh, Geong Sen; Martin, Keith M.

Buyer-seller watermarking protocols are designed to deter clients from illegally distributing copies of digital content. This is achieved by allowing a distributor to insert a unique watermark into content in such a way that the distributor does not know the final watermarked copy that is given to the client. This protects both the client and distributor from attempts by one to falsely accuse the other of misuse. Buyer-seller watermarking protocols are normally based on asymmetric cryptographic primitives known as homomorphic encryption schemes. However, the computational and communication overhead of this conventional approach is high. In this paper we propose a different approach, based on the symmetric Chameleon encryption scheme. We show that this leads to significant gains in computational and operational efficiency.

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.

Spatial coding-based approach for partitioning big spatial data in Hadoop

NASA Astrophysics Data System (ADS)

Yao, Xiaochuang; Mokbel, Mohamed F.; Alarabi, Louai; Eldawy, Ahmed; Yang, Jianyu; Yun, Wenju; Li, Lin; Ye, Sijing; Zhu, Dehai

2017-09-01

Spatial data partitioning (SDP) plays a powerful role in distributed storage and parallel computing for spatial data. However, due to skew distribution of spatial data and varying volume of spatial vector objects, it leads to a significant challenge to ensure both optimal performance of spatial operation and data balance in the cluster. To tackle this problem, we proposed a spatial coding-based approach for partitioning big spatial data in Hadoop. This approach, firstly, compressed the whole big spatial data based on spatial coding matrix to create a sensing information set (SIS), including spatial code, size, count and other information. SIS was then employed to build spatial partitioning matrix, which was used to spilt all spatial objects into different partitions in the cluster finally. Based on our approach, the neighbouring spatial objects can be partitioned into the same block. At the same time, it also can minimize the data skew in Hadoop distributed file system (HDFS). The presented approach with a case study in this paper is compared against random sampling based partitioning, with three measurement standards, namely, the spatial index quality, data skew in HDFS, and range query performance. The experimental results show that our method based on spatial coding technique can improve the query performance of big spatial data, as well as the data balance in HDFS. We implemented and deployed this approach in Hadoop, and it is also able to support efficiently any other distributed big spatial data systems.

A simulation based method to assess inversion algorithms for transverse relaxation data

NASA Astrophysics Data System (ADS)

Ghosh, Supriyo; Keener, Kevin M.; Pan, Yong

2008-04-01

NMR relaxometry is a very useful tool for understanding various chemical and physical phenomena in complex multiphase systems. A Carr-Purcell-Meiboom-Gill (CPMG) [P.T. Callaghan, Principles of Nuclear Magnetic Resonance Microscopy, Clarendon Press, Oxford, 1991] experiment is an easy and quick way to obtain transverse relaxation constant (T2) in low field. Most of the samples usually have a distribution of T2 values. Extraction of this distribution of T2s from the noisy decay data is essentially an ill-posed inverse problem. Various inversion approaches have been used to solve this problem, to date. A major issue in using an inversion algorithm is determining how accurate the computed distribution is. A systematic analysis of an inversion algorithm, UPEN [G.C. Borgia, R.J.S. Brown, P. Fantazzini, Uniform-penalty inversion of multiexponential decay data, Journal of Magnetic Resonance 132 (1998) 65-77; G.C. Borgia, R.J.S. Brown, P. Fantazzini, Uniform-penalty inversion of multiexponential decay data II. Data spacing, T2 data, systematic data errors, and diagnostics, Journal of Magnetic Resonance 147 (2000) 273-285] was performed by means of simulated CPMG data generation. Through our simulation technique and statistical analyses, the effects of various experimental parameters on the computed distribution were evaluated. We converged to the true distribution by matching up the inversion results from a series of true decay data and a noisy simulated data. In addition to simulation studies, the same approach was also applied on real experimental data to support the simulation results.

Simulation-based estimation of mean and standard deviation for meta-analysis via Approximate Bayesian Computation (ABC).

PubMed

Kwon, Deukwoo; Reis, Isildinha M

2015-08-12

When conducting a meta-analysis of a continuous outcome, estimated means and standard deviations from the selected studies are required in order to obtain an overall estimate of the mean effect and its confidence interval. If these quantities are not directly reported in the publications, they must be estimated from other reported summary statistics, such as the median, the minimum, the maximum, and quartiles. We propose a simulation-based estimation approach using the Approximate Bayesian Computation (ABC) technique for estimating mean and standard deviation based on various sets of summary statistics found in published studies. We conduct a simulation study to compare the proposed ABC method with the existing methods of Hozo et al. (2005), Bland (2015), and Wan et al. (2014). In the estimation of the standard deviation, our ABC method performs better than the other methods when data are generated from skewed or heavy-tailed distributions. The corresponding average relative error (ARE) approaches zero as sample size increases. In data generated from the normal distribution, our ABC performs well. However, the Wan et al. method is best for estimating standard deviation under normal distribution. In the estimation of the mean, our ABC method is best regardless of assumed distribution. ABC is a flexible method for estimating the study-specific mean and standard deviation for meta-analysis, especially with underlying skewed or heavy-tailed distributions. The ABC method can be applied using other reported summary statistics such as the posterior mean and 95 % credible interval when Bayesian analysis has been employed.

Foundational Report Series: Advanced Distribution Management Systems for Grid Modernization, Implementation Strategy for a Distribution Management System

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

Singh, Ravindra; Reilly, James T.; Wang, Jianhui

Electric distribution utilities encounter many challenges to successful deployment of Distribution Management Systems (DMSs). The key challenges are documented in this report, along with suggestions for overcoming them. This report offers a recommended list of activities for implementing a DMS. It takes a strategic approach to implementing DMS from a project management perspective. The project management strategy covers DMS planning, procurement, design, building, testing, Installation, commissioning, and system integration issues and solutions. It identifies the risks that are associated with implementation and suggests strategies for utilities to use to mitigate them or avoid them altogether. Attention is given to commonmore » barriers to successful DMS implementation. This report begins with an overview of the implementation strategy for a DMS and proceeds to put forward a basic approach for procuring hardware and software for a DMS; designing the interfaces with external corporate computing systems such as EMS, GIS, OMS, and AMI; and implementing a complete solution.« less

A robust close-range photogrammetric target extraction algorithm for size and type variant targets

NASA Astrophysics Data System (ADS)

Nyarko, Kofi; Thomas, Clayton; Torres, Gilbert

2016-05-01

The Photo-G program conducted by Naval Air Systems Command at the Atlantic Test Range in Patuxent River, Maryland, uses photogrammetric analysis of large amounts of real-world imagery to characterize the motion of objects in a 3-D scene. Current approaches involve several independent processes including target acquisition, target identification, 2-D tracking of image features, and 3-D kinematic state estimation. Each process has its own inherent complications and corresponding degrees of both human intervention and computational complexity. One approach being explored for automated target acquisition relies on exploiting the pixel intensity distributions of photogrammetric targets, which tend to be patterns with bimodal intensity distributions. The bimodal distribution partitioning algorithm utilizes this distribution to automatically deconstruct a video frame into regions of interest (ROI) that are merged and expanded to target boundaries, from which ROI centroids are extracted to mark target acquisition points. This process has proved to be scale, position and orientation invariant, as well as fairly insensitive to global uniform intensity disparities.

Ordinary Dark Matter versus Mysterious Dark Matter in Galactic Rotation

NASA Astrophysics Data System (ADS)

Gallo, C. F.; Feng, James

2008-04-01

To theoretically describe the measured rotational velocity curves of spiral galaxies, there are two different approaches and conclusions. (1) ORDINARY DARK MATTER. We assume Newtonian gravity/dynamics and successfully find (via computer) mass distributions in bulge/disk configurations that duplicate the measured rotational velocities. There is ordinary dark matter within the galactic disk towards the cooler periphery which has lower emissivity/opacity. There are no mysteries in this scenario based on verified physics. (2) MYSTERIOUS DARK MATTER. Others INaccurately assume the galactic mass distributions follow the measured light distributions, and then the measured rotational velocity curves are NOT duplicated. To alleviate this discrepancy, speculations are invoked re ``Massive Peripheral Spherical Halos of Mysterious Dark Matter.'' But NO matter has been detected in this UNtenable Halo configuration. Many UNverified ``Mysteries'' are invoked as necessary and convenient. CONCLUSION. The first approach utilizing Newtonian gravity/dynamics and searching for the ordinary mass distributions within the galactic disk simulates reality and agrees with data.

A cyber-linked undergraduate research experience in computational biomolecular structure prediction and design

PubMed Central

Alford, Rebecca F.; Dolan, Erin L.

2017-01-01

Computational biology is an interdisciplinary field, and many computational biology research projects involve distributed teams of scientists. To accomplish their work, these teams must overcome both disciplinary and geographic barriers. Introducing new training paradigms is one way to facilitate research progress in computational biology. Here, we describe a new undergraduate program in biomolecular structure prediction and design in which students conduct research at labs located at geographically-distributed institutions while remaining connected through an online community. This 10-week summer program begins with one week of training on computational biology methods development, transitions to eight weeks of research, and culminates in one week at the Rosetta annual conference. To date, two cohorts of students have participated, tackling research topics including vaccine design, enzyme design, protein-based materials, glycoprotein modeling, crowd-sourced science, RNA processing, hydrogen bond networks, and amyloid formation. Students in the program report outcomes comparable to students who participate in similar in-person programs. These outcomes include the development of a sense of community and increases in their scientific self-efficacy, scientific identity, and science values, all predictors of continuing in a science research career. Furthermore, the program attracted students from diverse backgrounds, which demonstrates the potential of this approach to broaden the participation of young scientists from backgrounds traditionally underrepresented in computational biology. PMID:29216185

Design of a robotic vehicle with self-contained intelligent wheels

NASA Astrophysics Data System (ADS)

Poulson, Eric A.; Jacob, John S.; Gunderson, Robert W.; Abbott, Ben A.

1998-08-01

The Center for Intelligent Systems has developed a small robotic vehicle named the Advanced Rover Chassis 3 (ARC 3) with six identical intelligent wheel units attached to a payload via a passive linkage suspension system. All wheels are steerable, so the ARC 3 can move in any direction while rotating at any rate allowed by the terrain and motors. Each intelligent wheel unit contains a drive motor, steering motor, batteries, and computer. All wheel units are identical, so manufacturing, programing, and spare replacement are greatly simplified. The intelligent wheel concept would allow the number and placement of wheels on the vehicle to be changed with no changes to the control system, except to list the position of all the wheels relative to the vehicle center. The task of controlling the ARC 3 is distributed between one master computer and the wheel computers. Tasks such as controlling the steering motors and calculating the speed of each wheel relative to the vehicle speed in a corner are dependent on the location of a wheel relative to the vehicle center and ar processed by the wheel computers. Conflicts between the wheels are eliminated by computing the vehicle velocity control in the master computer. Various approaches to this distributed control problem, and various low level control methods, have been explored.

A cyber-linked undergraduate research experience in computational biomolecular structure prediction and design.

PubMed

Alford, Rebecca F; Leaver-Fay, Andrew; Gonzales, Lynda; Dolan, Erin L; Gray, Jeffrey J

2017-12-01

Computational biology is an interdisciplinary field, and many computational biology research projects involve distributed teams of scientists. To accomplish their work, these teams must overcome both disciplinary and geographic barriers. Introducing new training paradigms is one way to facilitate research progress in computational biology. Here, we describe a new undergraduate program in biomolecular structure prediction and design in which students conduct research at labs located at geographically-distributed institutions while remaining connected through an online community. This 10-week summer program begins with one week of training on computational biology methods development, transitions to eight weeks of research, and culminates in one week at the Rosetta annual conference. To date, two cohorts of students have participated, tackling research topics including vaccine design, enzyme design, protein-based materials, glycoprotein modeling, crowd-sourced science, RNA processing, hydrogen bond networks, and amyloid formation. Students in the program report outcomes comparable to students who participate in similar in-person programs. These outcomes include the development of a sense of community and increases in their scientific self-efficacy, scientific identity, and science values, all predictors of continuing in a science research career. Furthermore, the program attracted students from diverse backgrounds, which demonstrates the potential of this approach to broaden the participation of young scientists from backgrounds traditionally underrepresented in computational biology.

High speed propeller performance and noise predictions at takeoff/landing conditions

NASA Technical Reports Server (NTRS)

Nallasamy, M.; Woodward, R. P.; Groeneweg, J. F.

1988-01-01

The performance and noise of a high speed SR-7A model propeller under takeoff/landing conditions are considered. The blade loading distributions are obtained by solving the three-dimensional Euler equations and the sound pressure levels are computed using a time domain approach. At the nominal takeoff operating point, the blade sections near the hub are lightly or negatively loaded. The chordwise loading distributions are distinctly different from those of cruise conditions. The noise of the SR-7A model propeller at takeoff is dominated by the loading noise, similar to that at cruise conditions. The waveforms of the acoustic pressure signature are nearly sinusoidal in the plane of the propeller. The computed directivity of the blade passing frequency tone agrees fairly well with the data at nominal takeoff blade angle.

High speed propeller performance and noise predictions at takeoff/landing conditions

NASA Technical Reports Server (NTRS)

Nallasamy, M.; Woodward, R. P.; Groeneweg, J. F.

1987-01-01

The performance and noise of a high speed SR-7A model propeller under takeoff/landing conditions are considered. The blade loading distributions are obtained by solving the three-dimensional Euler equations and the sound pressure levels are computed using a time domain approach. At the nominal takeoff operating point, the blade sections near the hub are lightly or negatively loaded. The chordwise loading distributions are distinctly different from those of cruise conditions. The noise of the SR-7A model propeller at takeoff is dominated by the loading noise, similar to that at cruise conditions. The waveforms of the acoustic pressure signature are nearly sinusoidal in the plane of the propeller. The computed directivity of the blade passing frequency tone agrees fairly well with the data at nominal takeoff blade angle.

[The Durkheim Test. Remarks on Susan Leigh Star's Boundary Objects].

PubMed

Gießmann, Sebastian

2015-09-01

The article reconstructs Susan Leigh Star's conceptual work on the notion of 'boundary objects'. It traces the emergence of the concept, beginning with her PhD thesis and its publication as Regions of the Mind in 1989. 'Boundary objects' attempt to represent the distributed, multifold nature of scientific work and its mediations between different 'social worlds'. Being addressed to several 'communities of practice', the term responded to questions from Distributed Artificial Intelligence in Computer Science, Workplace Studies and Computer Supported Cooperative Work (CSCW), and microhistorical approaches inside the growing Science and Technology Studies. Yet the interdisciplinary character and interpretive flexibility of Star’s invention has rarely been noticed as a conceptual tool for media theory. I therefore propose to reconsider Star's 'Durkheim test' for sociotechnical media practices.

Flexible services for the support of research.

PubMed

Turilli, Matteo; Wallom, David; Williams, Chris; Gough, Steve; Curran, Neal; Tarrant, Richard; Bretherton, Dan; Powell, Andy; Johnson, Matt; Harmer, Terry; Wright, Peter; Gordon, John

2013-01-28

Cloud computing has been increasingly adopted by users and providers to promote a flexible, scalable and tailored access to computing resources. Nonetheless, the consolidation of this paradigm has uncovered some of its limitations. Initially devised by corporations with direct control over large amounts of computational resources, cloud computing is now being endorsed by organizations with limited resources or with a more articulated, less direct control over these resources. The challenge for these organizations is to leverage the benefits of cloud computing while dealing with limited and often widely distributed computing resources. This study focuses on the adoption of cloud computing by higher education institutions and addresses two main issues: flexible and on-demand access to a large amount of storage resources, and scalability across a heterogeneous set of cloud infrastructures. The proposed solutions leverage a federated approach to cloud resources in which users access multiple and largely independent cloud infrastructures through a highly customizable broker layer. This approach allows for a uniform authentication and authorization infrastructure, a fine-grained policy specification and the aggregation of accounting and monitoring. Within a loosely coupled federation of cloud infrastructures, users can access vast amount of data without copying them across cloud infrastructures and can scale their resource provisions when the local cloud resources become insufficient.

Effectiveness of a Smoking Cessation Intervention in Dutch Pharmacies and General Practices

ERIC Educational Resources Information Center

Hoving, Ciska; Mudde, Aart N.; Dijk, Froukje; de Vries, Hein

2010-01-01

Purpose: The purpose of this paper is to test the effectiveness of a computer-tailored smoking cessation intervention, distributed through 75 Dutch general practices (GP) and 65 pharmacies (PH) in a randomised control trial. Design/methodology/approach: Respondents receive a tailored letter or a thank you letter (control condition). Main outcome…

A Distributed Processing Approach to Payroll Time Reporting for a Large School District.

ERIC Educational Resources Information Center

Freeman, Raoul J.

1983-01-01

Describes a system for payroll reporting from geographically disparate locations in which data is entered, edited, and verified locally on minicomputers and then uploaded to a central computer for the standard payroll process. Communications and hardware, time-reporting software, data input techniques, system implementation, and its advantages are…

The Role of Simulation Approaches in Statistics

ERIC Educational Resources Information Center

Wood, Michael

2005-01-01

This article explores the uses of a simulation model (the two bucket story)--implemented by a stand-alone computer program, or an Excel workbook (both on the web)--that can be used for deriving bootstrap confidence intervals, and simulating various probability distributions. The strengths of the model are its generality, the fact that it provides…

Moment Preserving Adaptive Particle Weights using Octree Velocity Distributions for PIC Simulations

DTIC Science & Technology

2012-07-01

with prevention of runaway computational costs. The standard approach of merging of particles[1] using pair-wise coalescence (2:1 ratio), cannot...approximately 2:1. This is lower than 5.5:1 because, in each of the eight children cells, the number of particles ranges between 0- 11 rather than being

Aerodynamic design using numerical optimization

NASA Technical Reports Server (NTRS)

Murman, E. M.; Chapman, G. T.

1983-01-01

The procedure of using numerical optimization methods coupled with computational fluid dynamic (CFD) codes for the development of an aerodynamic design is examined. Several approaches that replace wind tunnel tests, develop pressure distributions and derive designs, or fulfill preset design criteria are presented. The method of Aerodynamic Design by Numerical Optimization (ADNO) is described and illustrated with examples.

Lexical is as lexical does: computational approaches to lexical representation

PubMed Central

Woollams, Anna M.

2015-01-01

In much of neuroimaging and neuropsychology, regions of the brain have been associated with ‘lexical representation’, with little consideration as to what this cognitive construct actually denotes. Within current computational models of word recognition, there are a number of different approaches to the representation of lexical knowledge. Structural lexical representations, found in original theories of word recognition, have been instantiated in modern localist models. However, such a representational scheme lacks neural plausibility in terms of economy and flexibility. Connectionist models have therefore adopted distributed representations of form and meaning. Semantic representations in connectionist models necessarily encode lexical knowledge. Yet when equipped with recurrent connections, connectionist models can also develop attractors for familiar forms that function as lexical representations. Current behavioural, neuropsychological and neuroimaging evidence shows a clear role for semantic information, but also suggests some modality- and task-specific lexical representations. A variety of connectionist architectures could implement these distributed functional representations, and further experimental and simulation work is required to discriminate between these alternatives. Future conceptualisations of lexical representations will therefore emerge from a synergy between modelling and neuroscience. PMID:25893204

Cognitive biases, linguistic universals, and constraint-based grammar learning.

PubMed

Culbertson, Jennifer; Smolensky, Paul; Wilson, Colin

2013-07-01

According to classical arguments, language learning is both facilitated and constrained by cognitive biases. These biases are reflected in linguistic typology-the distribution of linguistic patterns across the world's languages-and can be probed with artificial grammar experiments on child and adult learners. Beginning with a widely successful approach to typology (Optimality Theory), and adapting techniques from computational approaches to statistical learning, we develop a Bayesian model of cognitive biases and show that it accounts for the detailed pattern of results of artificial grammar experiments on noun-phrase word order (Culbertson, Smolensky, & Legendre, 2012). Our proposal has several novel properties that distinguish it from prior work in the domains of linguistic theory, computational cognitive science, and machine learning. This study illustrates how ideas from these domains can be synthesized into a model of language learning in which biases range in strength from hard (absolute) to soft (statistical), and in which language-specific and domain-general biases combine to account for data from the macro-level scale of typological distribution to the micro-level scale of learning by individuals. Copyright © 2013 Cognitive Science Society, Inc.

Assessment of uncertainties of the models used in thermal-hydraulic computer codes

NASA Astrophysics Data System (ADS)

Gricay, A. S.; Migrov, Yu. A.

2015-09-01

The article deals with matters concerned with the problem of determining the statistical characteristics of variable parameters (the variation range and distribution law) in analyzing the uncertainty and sensitivity of calculation results to uncertainty in input data. A comparative analysis of modern approaches to uncertainty in input data is presented. The need to develop an alternative method for estimating the uncertainty of model parameters used in thermal-hydraulic computer codes, in particular, in the closing correlations of the loop thermal hydraulics block, is shown. Such a method shall feature the minimal degree of subjectivism and must be based on objective quantitative assessment criteria. The method includes three sequential stages: selecting experimental data satisfying the specified criteria, identifying the key closing correlation using a sensitivity analysis, and carrying out case calculations followed by statistical processing of the results. By using the method, one can estimate the uncertainty range of a variable parameter and establish its distribution law in the above-mentioned range provided that the experimental information is sufficiently representative. Practical application of the method is demonstrated taking as an example the problem of estimating the uncertainty of a parameter appearing in the model describing transition to post-burnout heat transfer that is used in the thermal-hydraulic computer code KORSAR. The performed study revealed the need to narrow the previously established uncertainty range of this parameter and to replace the uniform distribution law in the above-mentioned range by the Gaussian distribution law. The proposed method can be applied to different thermal-hydraulic computer codes. In some cases, application of the method can make it possible to achieve a smaller degree of conservatism in the expert estimates of uncertainties pertinent to the model parameters used in computer codes.

An information-theoretic approach to motor action decoding with a reconfigurable parallel architecture.

PubMed

Craciun, Stefan; Brockmeier, Austin J; George, Alan D; Lam, Herman; Príncipe, José C

2011-01-01

Methods for decoding movements from neural spike counts using adaptive filters often rely on minimizing the mean-squared error. However, for non-Gaussian distribution of errors, this approach is not optimal for performance. Therefore, rather than using probabilistic modeling, we propose an alternate non-parametric approach. In order to extract more structure from the input signal (neuronal spike counts) we propose using minimum error entropy (MEE), an information-theoretic approach that minimizes the error entropy as part of an iterative cost function. However, the disadvantage of using MEE as the cost function for adaptive filters is the increase in computational complexity. In this paper we present a comparison between the decoding performance of the analytic Wiener filter and a linear filter trained with MEE, which is then mapped to a parallel architecture in reconfigurable hardware tailored to the computational needs of the MEE filter. We observe considerable speedup from the hardware design. The adaptation of filter weights for the multiple-input, multiple-output linear filters, necessary in motor decoding, is a highly parallelizable algorithm. It can be decomposed into many independent computational blocks with a parallel architecture readily mapped to a field-programmable gate array (FPGA) and scales to large numbers of neurons. By pipelining and parallelizing independent computations in the algorithm, the proposed parallel architecture has sublinear increases in execution time with respect to both window size and filter order.

A framework for analyzing the cognitive complexity of computer-assisted clinical ordering.

PubMed

Horsky, Jan; Kaufman, David R; Oppenheim, Michael I; Patel, Vimla L

2003-01-01

Computer-assisted provider order entry is a technology that is designed to expedite medical ordering and to reduce the frequency of preventable errors. This paper presents a multifaceted cognitive methodology for the characterization of cognitive demands of a medical information system. Our investigation was informed by the distributed resources (DR) model, a novel approach designed to describe the dimensions of user interfaces that introduce unnecessary cognitive complexity. This method evaluates the relative distribution of external (system) and internal (user) representations embodied in system interaction. We conducted an expert walkthrough evaluation of a commercial order entry system, followed by a simulated clinical ordering task performed by seven clinicians. The DR model was employed to explain variation in user performance and to characterize the relationship of resource distribution and ordering errors. The analysis revealed that the configuration of resources in this ordering application placed unnecessarily heavy cognitive demands on the user, especially on those who lacked a robust conceptual model of the system. The resources model also provided some insight into clinicians' interactive strategies and patterns of associated errors. Implications for user training and interface design based on the principles of human-computer interaction in the medical domain are discussed.

Distributed memory parallel Markov random fields using graph partitioning

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

Heinemann, C.; Perciano, T.; Ushizima, D.

Markov random fields (MRF) based algorithms have attracted a large amount of interest in image analysis due to their ability to exploit contextual information about data. Image data generated by experimental facilities, though, continues to grow larger and more complex, making it more difficult to analyze in a reasonable amount of time. Applying image processing algorithms to large datasets requires alternative approaches to circumvent performance problems. Aiming to provide scientists with a new tool to recover valuable information from such datasets, we developed a general purpose distributed memory parallel MRF-based image analysis framework (MPI-PMRF). MPI-PMRF overcomes performance and memory limitationsmore » by distributing data and computations across processors. The proposed approach was successfully tested with synthetic and experimental datasets. Additionally, the performance of the MPI-PMRF framework is analyzed through a detailed scalability study. We show that a performance increase is obtained while maintaining an accuracy of the segmentation results higher than 98%. The contributions of this paper are: (a) development of a distributed memory MRF framework; (b) measurement of the performance increase of the proposed approach; (c) verification of segmentation accuracy in both synthetic and experimental, real-world datasets« less

Comparative Study of Wing Lift Distribution Analysis for High Altitude Long Endurance (HALE) Unmaned Aerial Vehicle

NASA Astrophysics Data System (ADS)

Silitonga, Faber Y.; Agoes Moelyadi, M.

2018-04-01

The development of High Altitude Long Endurance (HALE) Unmanned Aerial Vehicle (UAV) has been emerged for both civil and military purposes. Its ability of operating in high altitude with long endurance is important in supporting maritime applications.Preliminary analysis of HALE UAV lift distribution of the wing presented to give decisive consideration for its early development. Ensuring that the generated lift is enough to compensate its own weight. Therotical approach using Pradtl’s non-linear lifting line theory will be compared with modern numerical approach using Computational Fluid Dynamics (CFD). Results of wing lift distribution calculated from both methods will be compared to study the reliability of it. HALE UAV ITB has high aspect ratio wing and will be analyze at cruise flight condition. The result indicates difference between Non-linear Lifting Line and CFD method.

Multilayer shallow water models with locally variable number of layers and semi-implicit time discretization

NASA Astrophysics Data System (ADS)

Bonaventura, Luca; Fernández-Nieto, Enrique D.; Garres-Díaz, José; Narbona-Reina, Gladys

2018-07-01

We propose an extension of the discretization approaches for multilayer shallow water models, aimed at making them more flexible and efficient for realistic applications to coastal flows. A novel discretization approach is proposed, in which the number of vertical layers and their distribution are allowed to change in different regions of the computational domain. Furthermore, semi-implicit schemes are employed for the time discretization, leading to a significant efficiency improvement for subcritical regimes. We show that, in the typical regimes in which the application of multilayer shallow water models is justified, the resulting discretization does not introduce any major spurious feature and allows again to reduce substantially the computational cost in areas with complex bathymetry. As an example of the potential of the proposed technique, an application to a sediment transport problem is presented, showing a remarkable improvement with respect to standard discretization approaches.

CAD Services: an Industry Standard Interface for Mechanical CAD Interoperability

NASA Technical Reports Server (NTRS)

Claus, Russell; Weitzer, Ilan

2002-01-01

Most organizations seek to design and develop new products in increasingly shorter time periods. At the same time, increased performance demands require a team-based multidisciplinary design process that may span several organizations. One approach to meet these demands is to use 'Geometry Centric' design. In this approach, design engineers team their efforts through one united representation of the design that is usually captured in a CAD system. Standards-based interfaces are critical to provide uniform, simple, distributed services that enable the 'Geometry Centric' design approach. This paper describes an industry-wide effort, under the Object Management Group's (OMG) Manufacturing Domain Task Force, to define interfaces that enable the interoperability of CAD, Computer Aided Manufacturing (CAM), and Computer Aided Engineering (CAE) tools. This critical link to enable 'Geometry Centric' design is called: Cad Services V1.0. This paper discusses the features of this standard and proposed application.

A Nonlinear Framework of Delayed Particle Smoothing Method for Vehicle Localization under Non-Gaussian Environment.

PubMed

Xiao, Zhu; Havyarimana, Vincent; Li, Tong; Wang, Dong

2016-05-13

In this paper, a novel nonlinear framework of smoothing method, non-Gaussian delayed particle smoother (nGDPS), is proposed, which enables vehicle state estimation (VSE) with high accuracy taking into account the non-Gaussianity of the measurement and process noises. Within the proposed method, the multivariate Student's t-distribution is adopted in order to compute the probability distribution function (PDF) related to the process and measurement noises, which are assumed to be non-Gaussian distributed. A computation approach based on Ensemble Kalman Filter (EnKF) is designed to cope with the mean and the covariance matrix of the proposal non-Gaussian distribution. A delayed Gibbs sampling algorithm, which incorporates smoothing of the sampled trajectories over a fixed-delay, is proposed to deal with the sample degeneracy of particles. The performance is investigated based on the real-world data, which is collected by low-cost on-board vehicle sensors. The comparison study based on the real-world experiments and the statistical analysis demonstrates that the proposed nGDPS has significant improvement on the vehicle state accuracy and outperforms the existing filtering and smoothing methods.

Exact calculation of distributions on integers, with application to sequence alignment.

PubMed

Newberg, Lee A; Lawrence, Charles E

2009-01-01

Computational biology is replete with high-dimensional discrete prediction and inference problems. Dynamic programming recursions can be applied to several of the most important of these, including sequence alignment, RNA secondary-structure prediction, phylogenetic inference, and motif finding. In these problems, attention is frequently focused on some scalar quantity of interest, a score, such as an alignment score or the free energy of an RNA secondary structure. In many cases, score is naturally defined on integers, such as a count of the number of pairing differences between two sequence alignments, or else an integer score has been adopted for computational reasons, such as in the test of significance of motif scores. The probability distribution of the score under an appropriate probabilistic model is of interest, such as in tests of significance of motif scores, or in calculation of Bayesian confidence limits around an alignment. Here we present three algorithms for calculating the exact distribution of a score of this type; then, in the context of pairwise local sequence alignments, we apply the approach so as to find the alignment score distribution and Bayesian confidence limits.

Work stealing for GPU-accelerated parallel programs in a global address space framework: WORK STEALING ON GPU-ACCELERATED SYSTEMS

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

Arafat, Humayun; Dinan, James; Krishnamoorthy, Sriram

Task parallelism is an attractive approach to automatically load balance the computation in a parallel system and adapt to dynamism exhibited by parallel systems. Exploiting task parallelism through work stealing has been extensively studied in shared and distributed-memory contexts. In this paper, we study the design of a system that uses work stealing for dynamic load balancing of task-parallel programs executed on hybrid distributed-memory CPU-graphics processing unit (GPU) systems in a global-address space framework. We take into account the unique nature of the accelerator model employed by GPUs, the significant performance difference between GPU and CPU execution as a functionmore » of problem size, and the distinct CPU and GPU memory domains. We consider various alternatives in designing a distributed work stealing algorithm for CPU-GPU systems, while taking into account the impact of task distribution and data movement overheads. These strategies are evaluated using microbenchmarks that capture various execution configurations as well as the state-of-the-art CCSD(T) application module from the computational chemistry domain.« less

Work stealing for GPU-accelerated parallel programs in a global address space framework

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

Arafat, Humayun; Dinan, James; Krishnamoorthy, Sriram

Task parallelism is an attractive approach to automatically load balance the computation in a parallel system and adapt to dynamism exhibited by parallel systems. Exploiting task parallelism through work stealing has been extensively studied in shared and distributed-memory contexts. In this paper, we study the design of a system that uses work stealing for dynamic load balancing of task-parallel programs executed on hybrid distributed-memory CPU-graphics processing unit (GPU) systems in a global-address space framework. We take into account the unique nature of the accelerator model employed by GPUs, the significant performance difference between GPU and CPU execution as a functionmore » of problem size, and the distinct CPU and GPU memory domains. We consider various alternatives in designing a distributed work stealing algorithm for CPU-GPU systems, while taking into account the impact of task distribution and data movement overheads. These strategies are evaluated using microbenchmarks that capture various execution configurations as well as the state-of-the-art CCSD(T) application module from the computational chemistry domain« less

An LES-PBE-PDF approach for modeling particle formation in turbulent reacting flows

NASA Astrophysics Data System (ADS)

Sewerin, Fabian; Rigopoulos, Stelios

2017-10-01

Many chemical and environmental processes involve the formation of a polydispersed particulate phase in a turbulent carrier flow. Frequently, the immersed particles are characterized by an intrinsic property such as the particle size, and the distribution of this property across a sample population is taken as an indicator for the quality of the particulate product or its environmental impact. In the present article, we propose a comprehensive model and an efficient numerical solution scheme for predicting the evolution of the property distribution associated with a polydispersed particulate phase forming in a turbulent reacting flow. Here, the particulate phase is described in terms of the particle number density whose evolution in both physical and particle property space is governed by the population balance equation (PBE). Based on the concept of large eddy simulation (LES), we augment the existing LES-transported probability density function (PDF) approach for fluid phase scalars by the particle number density and obtain a modeled evolution equation for the filtered PDF associated with the instantaneous fluid composition and particle property distribution. This LES-PBE-PDF approach allows us to predict the LES-filtered fluid composition and particle property distribution at each spatial location and point in time without any restriction on the chemical or particle formation kinetics. In view of a numerical solution, we apply the method of Eulerian stochastic fields, invoking an explicit adaptive grid technique in order to discretize the stochastic field equation for the number density in particle property space. In this way, sharp moving features of the particle property distribution can be accurately resolved at a significantly reduced computational cost. As a test case, we consider the condensation of an aerosol in a developed turbulent mixing layer. Our investigation not only demonstrates the predictive capabilities of the LES-PBE-PDF model but also indicates the computational efficiency of the numerical solution scheme.

Advanced EMT and Phasor-Domain Hybrid Simulation with Simulation Mode Switching Capability for Transmission and Distribution Systems

DOE PAGES

Huang, Qiuhua; Vittal, Vijay

2018-05-09

Conventional electromagnetic transient (EMT) and phasor-domain hybrid simulation approaches presently exist for trans-mission system level studies. Their simulation efficiency is generally constrained by the EMT simulation. With an increasing number of distributed energy resources and non-conventional loads being installed in distribution systems, it is imperative to extend the hybrid simulation application to include distribution systems and integrated transmission and distribution systems. Meanwhile, it is equally important to improve the simulation efficiency as the modeling scope and complexity of the detailed system in the EMT simulation increases. To meet both requirements, this paper introduces an advanced EMT and phasor-domain hybrid simulationmore » approach. This approach has two main features: 1) a comprehensive phasor-domain modeling framework which supports positive-sequence, three-sequence, three-phase and mixed three-sequence/three-phase representations and 2) a robust and flexible simulation mode switching scheme. The developed scheme enables simulation switching from hybrid simulation mode back to pure phasor-domain dynamic simulation mode to achieve significantly improved simulation efficiency. The proposed method has been tested on integrated transmission and distribution systems. In conclusion, the results show that with the developed simulation switching feature, the total computational time is significantly reduced compared to running the hybrid simulation for the whole simulation period, while maintaining good simulation accuracy.« less

Advanced EMT and Phasor-Domain Hybrid Simulation with Simulation Mode Switching Capability for Transmission and Distribution Systems

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

Huang, Qiuhua; Vittal, Vijay

Conventional electromagnetic transient (EMT) and phasor-domain hybrid simulation approaches presently exist for trans-mission system level studies. Their simulation efficiency is generally constrained by the EMT simulation. With an increasing number of distributed energy resources and non-conventional loads being installed in distribution systems, it is imperative to extend the hybrid simulation application to include distribution systems and integrated transmission and distribution systems. Meanwhile, it is equally important to improve the simulation efficiency as the modeling scope and complexity of the detailed system in the EMT simulation increases. To meet both requirements, this paper introduces an advanced EMT and phasor-domain hybrid simulationmore » approach. This approach has two main features: 1) a comprehensive phasor-domain modeling framework which supports positive-sequence, three-sequence, three-phase and mixed three-sequence/three-phase representations and 2) a robust and flexible simulation mode switching scheme. The developed scheme enables simulation switching from hybrid simulation mode back to pure phasor-domain dynamic simulation mode to achieve significantly improved simulation efficiency. The proposed method has been tested on integrated transmission and distribution systems. In conclusion, the results show that with the developed simulation switching feature, the total computational time is significantly reduced compared to running the hybrid simulation for the whole simulation period, while maintaining good simulation accuracy.« less

Boundary methods for mode estimation

NASA Astrophysics Data System (ADS)

Pierson, William E., Jr.; Ulug, Batuhan; Ahalt, Stanley C.

1999-08-01

This paper investigates the use of Boundary Methods (BMs), a collection of tools used for distribution analysis, as a method for estimating the number of modes associated with a given data set. Model order information of this type is required by several pattern recognition applications. The BM technique provides a novel approach to this parameter estimation problem and is comparable in terms of both accuracy and computations to other popular mode estimation techniques currently found in the literature and automatic target recognition applications. This paper explains the methodology used in the BM approach to mode estimation. Also, this paper quickly reviews other common mode estimation techniques and describes the empirical investigation used to explore the relationship of the BM technique to other mode estimation techniques. Specifically, the accuracy and computational efficiency of the BM technique are compared quantitatively to the a mixture of Gaussian (MOG) approach and a k-means approach to model order estimation. The stopping criteria of the MOG and k-means techniques is the Akaike Information Criteria (AIC).

The Framework for Simulation of Bioinspired Security Mechanisms against Network Infrastructure Attacks

PubMed Central

Kotenko, Igor

2014-01-01

The paper outlines a bioinspired approach named “network nervous system" and methods of simulation of infrastructure attacks and protection mechanisms based on this approach. The protection mechanisms based on this approach consist of distributed prosedures of information collection and processing, which coordinate the activities of the main devices of a computer network, identify attacks, and determine nessesary countermeasures. Attacks and protection mechanisms are specified as structural models using a set-theoretic approach. An environment for simulation of protection mechanisms based on the biological metaphor is considered; the experiments demonstrating the effectiveness of the protection mechanisms are described. PMID:25254229

Direct Simulations of Coupled Transport and Reaction on Nano-Scale X-Ray Computed Tomography Images of Platinum Group Metal-Free Catalyst Cathodes

DOE PAGES

Ogawa, S.; Komini Babu, S.; Chung, H. T.; ...

2016-08-22

The nano/micro-scale geometry of polymer electrolyte fuel cell (PEFC) catalyst layers critically affects cell performance. The small length scales and complex structure of these composite layers make it challenging to analyze cell performance and physics at the particle scale by experiment. We present a computational method to simulate transport and chemical reaction phenomena at the pore/particle-scale and apply it to a PEFC cathode with platinum group metal free (PGM-free) catalyst. Here, we numerically solve the governing equations for the physics with heterogeneous oxygen diffusion coefficient and proton conductivity evaluated using the actual electrode structure and ionomer distribution obtained using nano-scalemore » resolution X-ray computed tomography (nano-CT). Using this approach, the oxygen concentration and electrolyte potential distributions imposed by the oxygen reduction reaction are solved and the impact of the catalyst layer structure on performance is evaluated.« less

Scatter correction for cone-beam computed tomography using self-adaptive scatter kernel superposition

NASA Astrophysics Data System (ADS)

Xie, Shi-Peng; Luo, Li-Min

2012-06-01

The authors propose a combined scatter reduction and correction method to improve image quality in cone beam computed tomography (CBCT). The scatter kernel superposition (SKS) method has been used occasionally in previous studies. However, this method differs in that a scatter detecting blocker (SDB) was used between the X-ray source and the tested object to model the self-adaptive scatter kernel. This study first evaluates the scatter kernel parameters using the SDB, and then isolates the scatter distribution based on the SKS. The quality of image can be improved by removing the scatter distribution. The results show that the method can effectively reduce the scatter artifacts, and increase the image quality. Our approach increases the image contrast and reduces the magnitude of cupping. The accuracy of the SKS technique can be significantly improved in our method by using a self-adaptive scatter kernel. This method is computationally efficient, easy to implement, and provides scatter correction using a single scan acquisition.

Computational simulation of the creep-rupture process in filamentary composite materials

NASA Technical Reports Server (NTRS)

Slattery, Kerry T.; Hackett, Robert M.

1991-01-01

A computational simulation of the internal damage accumulation which causes the creep-rupture phenomenon in filamentary composite materials is developed. The creep-rupture process involves complex interactions between several damage mechanisms. A statistically-based computational simulation using a time-differencing approach is employed to model these progressive interactions. The finite element method is used to calculate the internal stresses. The fibers are modeled as a series of bar elements which are connected transversely by matrix elements. Flaws are distributed randomly throughout the elements in the model. Load is applied, and the properties of the individual elements are updated at the end of each time step as a function of the stress history. The simulation is continued until failure occurs. Several cases, with different initial flaw dispersions, are run to establish a statistical distribution of the time-to-failure. The calculations are performed on a supercomputer. The simulation results compare favorably with the results of creep-rupture experiments conducted at the Lawrence Livermore National Laboratory.

Direct Simulations of Coupled Transport and Reaction on Nano-Scale X-Ray Computed Tomography Images of Platinum Group Metal-Free Catalyst Cathodes

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

Ogawa, S.; Komini Babu, S.; Chung, H. T.

The nano/micro-scale geometry of polymer electrolyte fuel cell (PEFC) catalyst layers critically affects cell performance. The small length scales and complex structure of these composite layers make it challenging to analyze cell performance and physics at the particle scale by experiment. We present a computational method to simulate transport and chemical reaction phenomena at the pore/particle-scale and apply it to a PEFC cathode with platinum group metal free (PGM-free) catalyst. Here, we numerically solve the governing equations for the physics with heterogeneous oxygen diffusion coefficient and proton conductivity evaluated using the actual electrode structure and ionomer distribution obtained using nano-scalemore » resolution X-ray computed tomography (nano-CT). Using this approach, the oxygen concentration and electrolyte potential distributions imposed by the oxygen reduction reaction are solved and the impact of the catalyst layer structure on performance is evaluated.« less

Modeling Early-Stage Processes of U-10 Wt.%Mo Alloy Using Integrated Computational Materials Engineering Concepts

NASA Astrophysics Data System (ADS)

Wang, Xiaowo; Xu, Zhijie; Soulami, Ayoub; Hu, Xiaohua; Lavender, Curt; Joshi, Vineet

2017-12-01

Low-enriched uranium alloyed with 10 wt.% molybdenum (U-10Mo) has been identified as a promising alternative to high-enriched uranium. Manufacturing U-10Mo alloy involves multiple complex thermomechanical processes that pose challenges for computational modeling. This paper describes the application of integrated computational materials engineering (ICME) concepts to integrate three individual modeling components, viz. homogenization, microstructure-based finite element method for hot rolling, and carbide particle distribution, to simulate the early-stage processes of U-10Mo alloy manufacture. The resulting integrated model enables information to be passed between different model components and leads to improved understanding of the evolution of the microstructure. This ICME approach is then used to predict the variation in the thickness of the Zircaloy-2 barrier as a function of the degree of homogenization and to analyze the carbide distribution, which can affect the recrystallization, hardness, and fracture properties of U-10Mo in subsequent processes.

A discrete element method-based approach to predict the breakage of coal

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

Gupta, Varun; Sun, Xin; Xu, Wei

Pulverization is an essential pre-combustion technique employed for solid fuels, such as coal, to reduce particle sizes. Smaller particles ensure rapid and complete combustion, leading to low carbon emissions. Traditionally, the resulting particle size distributions from pulverizers have been informed by empirical or semi-empirical approaches that rely on extensive data gathered over several decades during operations or experiments. However, the predictive capabilities for new coals and processes are limited. This work presents a Discrete Element Method based computational framework to predict particle size distribution resulting from the breakage of coal particles characterized by the coal’s physical properties. The effect ofmore » certain operating parameters on the breakage behavior of coal particles also is examined.« less

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

Dall'Anese, Emiliano; Baker, Kyri; Summers, Tyler

The paper focuses on distribution systems featuring renewable energy sources and energy storage devices, and develops an optimal power flow (OPF) approach to optimize the system operation in spite of forecasting errors. The proposed method builds on a chance-constrained multi-period AC OPF formulation, where probabilistic constraints are utilized to enforce voltage regulation with a prescribed probability. To enable a computationally affordable solution approach, a convex reformulation of the OPF task is obtained by resorting to i) pertinent linear approximations of the power flow equations, and ii) convex approximations of the chance constraints. Particularly, the approximate chance constraints provide conservative boundsmore » that hold for arbitrary distributions of the forecasting errors. An adaptive optimization strategy is then obtained by embedding the proposed OPF task into a model predictive control framework.« less

A Surrogate-based Adaptive Sampling Approach for History Matching and Uncertainty Quantification

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

Li, Weixuan; Zhang, Dongxiao; Lin, Guang

A critical procedure in reservoir simulations is history matching (or data assimilation in a broader sense), which calibrates model parameters such that the simulation results are consistent with field measurements, and hence improves the credibility of the predictions given by the simulations. Often there exist non-unique combinations of parameter values that all yield the simulation results matching the measurements. For such ill-posed history matching problems, Bayesian theorem provides a theoretical foundation to represent different solutions and to quantify the uncertainty with the posterior PDF. Lacking an analytical solution in most situations, the posterior PDF may be characterized with a samplemore » of realizations, each representing a possible scenario. A novel sampling algorithm is presented here for the Bayesian solutions to history matching problems. We aim to deal with two commonly encountered issues: 1) as a result of the nonlinear input-output relationship in a reservoir model, the posterior distribution could be in a complex form, such as multimodal, which violates the Gaussian assumption required by most of the commonly used data assimilation approaches; 2) a typical sampling method requires intensive model evaluations and hence may cause unaffordable computational cost. In the developed algorithm, we use a Gaussian mixture model as the proposal distribution in the sampling process, which is simple but also flexible to approximate non-Gaussian distributions and is particularly efficient when the posterior is multimodal. Also, a Gaussian process is utilized as a surrogate model to speed up the sampling process. Furthermore, an iterative scheme of adaptive surrogate refinement and re-sampling ensures sampling accuracy while keeping the computational cost at a minimum level. The developed approach is demonstrated with an illustrative example and shows its capability in handling the above-mentioned issues. Multimodal posterior of the history matching problem is captured and are used to give a reliable production prediction with uncertainty quantification. The new algorithm reveals a great improvement in terms of computational efficiency comparing previously studied approaches for the sample problem.« less

NaradaBrokering as Middleware Fabric for Grid-based Remote Visualization Services

NASA Astrophysics Data System (ADS)

Pallickara, S.; Erlebacher, G.; Yuen, D.; Fox, G.; Pierce, M.

2003-12-01

Remote Visualization Services (RVS) have tended to rely on approaches based on the client server paradigm. The simplicity in these approaches is offset by problems such as single-point-of-failures, scaling and availability. Furthermore, as the complexity, scale and scope of the services hosted on this paradigm increase, this approach becomes increasingly unsuitable. We propose a scheme based on top of a distributed brokering infrastructure, NaradaBrokering, which comprises a distributed network of broker nodes. These broker nodes are organized in a cluster-based architecture that can scale to very large sizes. The broker network is resilient to broker failures and efficiently routes interactions to entities that expressed an interest in them. In our approach to RVS, services advertise their capabilities to the broker network, which manages these service advertisements. Among the services considered within our system are those that perform graphic transformations, mediate access to specialized datasets and finally those that manage the execution of specified tasks. There could be multiple instances of each of these services and the system ensures that load for a given service is distributed efficiently over these service instances. Among the features provided in our approach are efficient discovery of services and asynchronous interactions between services and service requestors (which could themselves be other services). Entities need not be online during the execution of the service request. The system also ensures that entities can be notified about task executions, partial results and failures that might have taken place during service execution. The system also facilitates specification of task overrides, distribution of execution results to alternate devices (which were not used to originally request service execution) and to multiple users. These RVS services could of course be either OGSA (Open Grid Services Architecture) based Grid services or traditional Web services. The brokering infrastructure will manage the service advertisements and the invocation of these services. This scheme ensures that the fundamental Grid computing concept is met - provide computing capabilities of those that are willing to provide it to those that seek the same. {[1]} The NaradaBrokering Project: http://www.naradabrokering.org

Parallel spatial direct numerical simulations on the Intel iPSC/860 hypercube

NASA Technical Reports Server (NTRS)

Joslin, Ronald D.; Zubair, Mohammad

1993-01-01

The implementation and performance of a parallel spatial direct numerical simulation (PSDNS) approach on the Intel iPSC/860 hypercube is documented. The direct numerical simulation approach is used to compute spatially evolving disturbances associated with the laminar-to-turbulent transition in boundary-layer flows. The feasibility of using the PSDNS on the hypercube to perform transition studies is examined. The results indicate that the direct numerical simulation approach can effectively be parallelized on a distributed-memory parallel machine. By increasing the number of processors nearly ideal linear speedups are achieved with nonoptimized routines; slower than linear speedups are achieved with optimized (machine dependent library) routines. This slower than linear speedup results because the Fast Fourier Transform (FFT) routine dominates the computational cost and because the routine indicates less than ideal speedups. However with the machine-dependent routines the total computational cost decreases by a factor of 4 to 5 compared with standard FORTRAN routines. The computational cost increases linearly with spanwise wall-normal and streamwise grid refinements. The hypercube with 32 processors was estimated to require approximately twice the amount of Cray supercomputer single processor time to complete a comparable simulation; however it is estimated that a subgrid-scale model which reduces the required number of grid points and becomes a large-eddy simulation (PSLES) would reduce the computational cost and memory requirements by a factor of 10 over the PSDNS. This PSLES implementation would enable transition simulations on the hypercube at a reasonable computational cost.

Toward Efficient Team Formation for Crowdsourcing in Noncooperative Social Networks.

PubMed

Wang, Wanyuan; Jiang, Jiuchuan; An, Bo; Jiang, Yichuan; Chen, Bing

2017-12-01

Crowdsourcing has become a popular service computing paradigm for requesters to integrate the ubiquitous human-intelligence services for tasks that are difficult for computers but trivial for humans. This paper focuses on crowdsourcing complex tasks by team formation in social networks (SNs) where a requester connects to a large number of workers. A good indicator of efficient team collaboration is the social connection among workers. Most previous social team formation approaches, however, either assume that the requester can maintain information of all workers and can directly communicate with them to build teams, or assume that the workers are cooperative and be willing to join the specific team built by the requester, both of which are impractical in many real situations. To this end, this paper first models each worker as a selfish entity, where the requester prefers to hire inexpensive workers that require less payment and workers prefer to join the profitable teams where they can gain high revenue. Within the noncooperative SNs, a distributed negotiation-based team formation mechanism is designed for the requester to decide which worker to hire and for the worker to decide which team to join and how much should be paid for his skill service provision. The proposed social team formation approach can always build collaborative teams by allowing team members to form a connected graph such that they can work together efficiently. Finally, we conduct a set of experiments on real dataset of workers to evaluate the effectiveness of our approach. The experimental results show that our approach can: 1) preserve considerable social welfare by comparing the benchmark centralized approaches and 2) form the profitable teams within less negotiation time by comparing the traditional distributed approaches, making our approach a more economic option for real-world applications.

Computational statistics using the Bayesian Inference Engine

NASA Astrophysics Data System (ADS)

Weinberg, Martin D.

2013-09-01

This paper introduces the Bayesian Inference Engine (BIE), a general parallel, optimized software package for parameter inference and model selection. This package is motivated by the analysis needs of modern astronomical surveys and the need to organize and reuse expensive derived data. The BIE is the first platform for computational statistics designed explicitly to enable Bayesian update and model comparison for astronomical problems. Bayesian update is based on the representation of high-dimensional posterior distributions using metric-ball-tree based kernel density estimation. Among its algorithmic offerings, the BIE emphasizes hybrid tempered Markov chain Monte Carlo schemes that robustly sample multimodal posterior distributions in high-dimensional parameter spaces. Moreover, the BIE implements a full persistence or serialization system that stores the full byte-level image of the running inference and previously characterized posterior distributions for later use. Two new algorithms to compute the marginal likelihood from the posterior distribution, developed for and implemented in the BIE, enable model comparison for complex models and data sets. Finally, the BIE was designed to be a collaborative platform for applying Bayesian methodology to astronomy. It includes an extensible object-oriented and easily extended framework that implements every aspect of the Bayesian inference. By providing a variety of statistical algorithms for all phases of the inference problem, a scientist may explore a variety of approaches with a single model and data implementation. Additional technical details and download details are available from http://www.astro.umass.edu/bie. The BIE is distributed under the GNU General Public License.

TiD-Introducing and Benchmarking an Event-Delivery System for Brain-Computer Interfaces.

PubMed

Breitwieser, Christian; Tavella, Michele; Schreuder, Martijn; Cincotti, Febo; Leeb, Robert; Muller-Putz, Gernot R

2017-12-01

In this paper, we present and analyze an event distribution system for brain-computer interfaces. Events are commonly used to mark and describe incidents during an experiment and are therefore critical for later data analysis or immediate real-time processing. The presented approach, called Tools for brain-computer interaction interface D (TiD), delivers messages in XML format via a buslike system using transmission control protocol connections or shared memory. A dedicated server dispatches TiD messages to distributed or local clients. The TiD message is designed to be flexible and contains time stamps for event synchronization, whereas events describe incidents, which occur during an experiment. TiD was tested extensively toward stability and latency. The effect of an occurring event jitter was analyzed and benchmarked on a reference implementation under different conditions as gigabit and 100-Mb Ethernet or Wi-Fi with a different number of event receivers. A 3-dB signal attenuation, which occurs when averaging jitter influenced trials aligned by events, is starting to become visible at around 1-2 kHz in the case of a gigabit connection. Mean event distribution times across operating systems are ranging from 0.3 to 0.5ms for a gigabit network connection for 10 6 events. Results for other environmental conditions are available in this paper. References already using TiD for event distribution are provided showing the applicability of TiD for event delivery with distributed or local clients.

Molecular Nanotechnology and Designs of Future

NASA Technical Reports Server (NTRS)

Srivastava, Deepak; Chancellor, Marisa K. (Technical Monitor)

1997-01-01

Reviewing the status of current approaches and future projections, as already published in the scientific journals and books, the talk will summarize the direction in which computational and experimental molecular nanotechnologies are progressing. Examples of nanotechnological approach to the concepts of design and simulation of atomically precise materials in a variety of interdisciplinary areas will be presented. The concepts of hypothetical molecular machines and assemblers as explained in Drexler's and Merckle's already published work and Han et. al's WWW distributed molecular gears will be explained.

Distribution of Off-Diagonal Cross Sections in Quantum Chaotic Scattering: Exact Results and Data Comparison.

PubMed

Kumar, Santosh; Dietz, Barbara; Guhr, Thomas; Richter, Achim

2017-12-15

The recently derived distributions for the scattering-matrix elements in quantum chaotic systems are not accessible in the majority of experiments, whereas the cross sections are. We analytically compute distributions for the off-diagonal cross sections in the Heidelberg approach, which is applicable to a wide range of quantum chaotic systems. Thus, eventually, we fully solve a problem that already arose more than half a century ago in compound-nucleus scattering. We compare our results with data from microwave and compound-nucleus experiments, particularly addressing the transition from isolated resonances towards the Ericson regime of strongly overlapping ones.

Distribution of Off-Diagonal Cross Sections in Quantum Chaotic Scattering: Exact Results and Data Comparison

NASA Astrophysics Data System (ADS)

Kumar, Santosh; Dietz, Barbara; Guhr, Thomas; Richter, Achim

2017-12-01

The recently derived distributions for the scattering-matrix elements in quantum chaotic systems are not accessible in the majority of experiments, whereas the cross sections are. We analytically compute distributions for the off-diagonal cross sections in the Heidelberg approach, which is applicable to a wide range of quantum chaotic systems. Thus, eventually, we fully solve a problem that already arose more than half a century ago in compound-nucleus scattering. We compare our results with data from microwave and compound-nucleus experiments, particularly addressing the transition from isolated resonances towards the Ericson regime of strongly overlapping ones.

Feasibility of Decentralized Linear-Quadratic-Gaussian Control of Autonomous Distributed Spacecraft

NASA Technical Reports Server (NTRS)

Carpenter, J. Russell

1999-01-01

A distributed satellite formation, modeled as an arbitrary number of fully connected nodes in a network, could be controlled using a decentralized controller framework that distributes operations in parallel over the network. For such problems, a solution that minimizes data transmission requirements, in the context of linear-quadratic-Gaussian (LQG) control theory, was given by Speyer. This approach is advantageous because it is non-hierarchical, detected failures gracefully degrade system performance, fewer local computations are required than for a centralized controller, and it is optimal with respect to the standard LQG cost function. Disadvantages of the approach are the need for a fully connected communications network, the total operations performed over all the nodes are greater than for a centralized controller, and the approach is formulated for linear time-invariant systems. To investigate the feasibility of the decentralized approach to satellite formation flying, a simple centralized LQG design for a spacecraft orbit control problem is adapted to the decentralized framework. The simple design uses a fixed reference trajectory (an equatorial, Keplerian, circular orbit), and by appropriate choice of coordinates and measurements is formulated as a linear time-invariant system.

BIOSSES: a semantic sentence similarity estimation system for the biomedical domain.

PubMed

Sogancioglu, Gizem; Öztürk, Hakime; Özgür, Arzucan

2017-07-15

The amount of information available in textual format is rapidly increasing in the biomedical domain. Therefore, natural language processing (NLP) applications are becoming increasingly important to facilitate the retrieval and analysis of these data. Computing the semantic similarity between sentences is an important component in many NLP tasks including text retrieval and summarization. A number of approaches have been proposed for semantic sentence similarity estimation for generic English. However, our experiments showed that such approaches do not effectively cover biomedical knowledge and produce poor results for biomedical text. We propose several approaches for sentence-level semantic similarity computation in the biomedical domain, including string similarity measures and measures based on the distributed vector representations of sentences learned in an unsupervised manner from a large biomedical corpus. In addition, ontology-based approaches are presented that utilize general and domain-specific ontologies. Finally, a supervised regression based model is developed that effectively combines the different similarity computation metrics. A benchmark data set consisting of 100 sentence pairs from the biomedical literature is manually annotated by five human experts and used for evaluating the proposed methods. The experiments showed that the supervised semantic sentence similarity computation approach obtained the best performance (0.836 correlation with gold standard human annotations) and improved over the state-of-the-art domain-independent systems up to 42.6% in terms of the Pearson correlation metric. A web-based system for biomedical semantic sentence similarity computation, the source code, and the annotated benchmark data set are available at: http://tabilab.cmpe.boun.edu.tr/BIOSSES/ . gizemsogancioglu@gmail.com or arzucan.ozgur@boun.edu.tr. © The Author 2017. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com

Transonic flow theory of airfoils and wings

NASA Technical Reports Server (NTRS)

Garabedian, P. R.

1976-01-01

There are plans to use the supercritical wing on the next generation of commercial aircraft so as to economize on fuel consumption by reducing drag. Computer codes have served well in meeting the consequent demand for new wing sections. The possibility of replacing wind tunnel tests by computational fluid dynamics is discussed. Another approach to the supercritical wing is through shockless airfoils. A novel boundary value problem in the hodograph plane is studied that enables one to design a shockless airfoil so that its pressure distribution very nearly takes on data that are prescribed.

An Eulerian/Lagrangian method for computing blade/vortex impingement

NASA Technical Reports Server (NTRS)

Steinhoff, John; Senge, Heinrich; Yonghu, Wenren

1991-01-01

A combined Eulerian/Lagrangian approach to calculating helicopter rotor flows with concentrated vortices is described. The method computes a general evolving vorticity distribution without any significant numerical diffusion. Concentrated vortices can be accurately propagated over long distances on relatively coarse grids with cores only several grid cells wide. The method is demonstrated for a blade/vortex impingement case in 2D and 3D where a vortex is cut by a rotor blade, and the results are compared to previous 2D calculations involving a fifth-order Navier-Stokes solver on a finer grid.

Compiling for Application Specific Computational Acceleration in Reconfigurable Architectures Final Report CRADA No. TSB-2033-01

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

De Supinski, B.; Caliga, D.

2017-09-28

The primary objective of this project was to develop memory optimization technology to efficiently deliver data to, and distribute data within, the SRC-6's Field Programmable Gate Array- ("FPGA") based Multi-Adaptive Processors (MAPs). The hardware/software approach was to explore efficient MAP configurations and generate the compiler technology to exploit those configurations. This memory accessing technology represents an important step towards making reconfigurable symmetric multi-processor (SMP) architectures that will be a costeffective solution for large-scale scientific computing.

Approaches in highly parameterized inversion-PESTCommander, a graphical user interface for file and run management across networks

USGS Publications Warehouse

Karanovic, Marinko; Muffels, Christopher T.; Tonkin, Matthew J.; Hunt, Randall J.

2012-01-01

Models of environmental systems have become increasingly complex, incorporating increasingly large numbers of parameters in an effort to represent physical processes on a scale approaching that at which they occur in nature. Consequently, the inverse problem of parameter estimation (specifically, model calibration) and subsequent uncertainty analysis have become increasingly computation-intensive endeavors. Fortunately, advances in computing have made computational power equivalent to that of dozens to hundreds of desktop computers accessible through a variety of alternate means: modelers have various possibilities, ranging from traditional Local Area Networks (LANs) to cloud computing. Commonly used parameter estimation software is well suited to take advantage of the availability of such increased computing power. Unfortunately, logistical issues become increasingly important as an increasing number and variety of computers are brought to bear on the inverse problem. To facilitate efficient access to disparate computer resources, the PESTCommander program documented herein has been developed to provide a Graphical User Interface (GUI) that facilitates the management of model files ("file management") and remote launching and termination of "slave" computers across a distributed network of computers ("run management"). In version 1.0 described here, PESTCommander can access and ascertain resources across traditional Windows LANs: however, the architecture of PESTCommander has been developed with the intent that future releases will be able to access computing resources (1) via trusted domains established in Wide Area Networks (WANs) in multiple remote locations and (2) via heterogeneous networks of Windows- and Unix-based operating systems. The design of PESTCommander also makes it suitable for extension to other computational resources, such as those that are available via cloud computing. Version 1.0 of PESTCommander was developed primarily to work with the parameter estimation software PEST; the discussion presented in this report focuses on the use of the PESTCommander together with Parallel PEST. However, PESTCommander can be used with a wide variety of programs and models that require management, distribution, and cleanup of files before or after model execution. In addition to its use with the Parallel PEST program suite, discussion is also included in this report regarding the use of PESTCommander with the Global Run Manager GENIE, which was developed simultaneously with PESTCommander.

Computational Analysis of the Caenorhabditis elegans Germline to Study the Distribution of Nuclei, Proteins, and the Cytoskeleton.

PubMed

Gopal, Sandeep; Pocock, Roger

2018-04-19

The Caenorhabditis elegans (C. elegans) germline is used to study several biologically important processes including stem cell development, apoptosis, and chromosome dynamics. While the germline is an excellent model, the analysis is often two dimensional due to the time and labor required for three-dimensional analysis. Major readouts in such studies are the number/position of nuclei and protein distribution within the germline. Here, we present a method to perform automated analysis of the germline using confocal microscopy and computational approaches to determine the number and position of nuclei in each region of the germline. Our method also analyzes germline protein distribution that enables the three-dimensional examination of protein expression in different genetic backgrounds. Further, our study shows variations in cytoskeletal architecture in distinct regions of the germline that may accommodate specific spatial developmental requirements. Finally, our method enables automated counting of the sperm in the spermatheca of each germline. Taken together, our method enables rapid and reproducible phenotypic analysis of the C. elegans germline.

Molecular simulation workflows as parallel algorithms: the execution engine of Copernicus, a distributed high-performance computing platform.

PubMed

Pronk, Sander; Pouya, Iman; Lundborg, Magnus; Rotskoff, Grant; Wesén, Björn; Kasson, Peter M; Lindahl, Erik

2015-06-09

Computational chemistry and other simulation fields are critically dependent on computing resources, but few problems scale efficiently to the hundreds of thousands of processors available in current supercomputers-particularly for molecular dynamics. This has turned into a bottleneck as new hardware generations primarily provide more processing units rather than making individual units much faster, which simulation applications are addressing by increasingly focusing on sampling with algorithms such as free-energy perturbation, Markov state modeling, metadynamics, or milestoning. All these rely on combining results from multiple simulations into a single observation. They are potentially powerful approaches that aim to predict experimental observables directly, but this comes at the expense of added complexity in selecting sampling strategies and keeping track of dozens to thousands of simulations and their dependencies. Here, we describe how the distributed execution framework Copernicus allows the expression of such algorithms in generic workflows: dataflow programs. Because dataflow algorithms explicitly state dependencies of each constituent part, algorithms only need to be described on conceptual level, after which the execution is maximally parallel. The fully automated execution facilitates the optimization of these algorithms with adaptive sampling, where undersampled regions are automatically detected and targeted without user intervention. We show how several such algorithms can be formulated for computational chemistry problems, and how they are executed efficiently with many loosely coupled simulations using either distributed or parallel resources with Copernicus.

Finding Tropical Cyclones on a Cloud Computing Cluster: Using Parallel Virtualization for Large-Scale Climate Simulation Analysis

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

Hasenkamp, Daren; Sim, Alexander; Wehner, Michael

Extensive computing power has been used to tackle issues such as climate changes, fusion energy, and other pressing scientific challenges. These computations produce a tremendous amount of data; however, many of the data analysis programs currently only run a single processor. In this work, we explore the possibility of using the emerging cloud computing platform to parallelize such sequential data analysis tasks. As a proof of concept, we wrap a program for analyzing trends of tropical cyclones in a set of virtual machines (VMs). This approach allows the user to keep their familiar data analysis environment in the VMs, whilemore » we provide the coordination and data transfer services to ensure the necessary input and output are directed to the desired locations. This work extensively exercises the networking capability of the cloud computing systems and has revealed a number of weaknesses in the current cloud system software. In our tests, we are able to scale the parallel data analysis job to a modest number of VMs and achieve a speedup that is comparable to running the same analysis task using MPI. However, compared to MPI based parallelization, the cloud-based approach has a number of advantages. The cloud-based approach is more flexible because the VMs can capture arbitrary software dependencies without requiring the user to rewrite their programs. The cloud-based approach is also more resilient to failure; as long as a single VM is running, it can make progress while as soon as one MPI node fails the whole analysis job fails. In short, this initial work demonstrates that a cloud computing system is a viable platform for distributed scientific data analyses traditionally conducted on dedicated supercomputing systems.« less

Visualization and prediction of supercritical CO 2 distribution in sandstones during drainage: An in situ synchrotron X-ray micro-computed tomography study

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

Voltolini, Marco; Kwon, Tae-Hyuk; Ajo-Franklin, Jonathan

Pore-scale distribution of supercritical CO 2 (scCO 2) exerts significant control on a variety of key hydrologic as well as geochemical processes, including residual trapping and dissolution. Despite such importance, only a small number of experiments have directly characterized the three-dimensional distribution of scCO 2 in geologic materials during the invasion (drainage) process. Here, we present a study which couples dynamic high-resolution synchrotron X-ray micro-computed tomography imaging of a scCO 2/brine system at in situ pressure/temperature conditions with quantitative pore-scale modeling to allow direct validation of a pore-scale description of scCO2 distribution. The experiment combines high-speed synchrotron radiography with tomographymore » to characterize the brine saturated sample, the scCO 2 breakthrough process, and the partially saturated state of a sandstone sample from the Domengine Formation, a regionally extensive unit within the Sacramento Basin (California, USA). The availability of a 3D dataset allowed us to examine correlations between grains and pores morphometric parameters and the actual distribution of scCO 2 in the sample, including the examination of the role of small-scale sedimentary structure on CO2 distribution. The segmented scCO 2/brine volume was also used to validate a simple computational model based on the local thickness concept, able to accurately simulate the distribution of scCO 2 after drainage. The same method was also used to simulate Hg capillary pressure curves with satisfactory results when compared to the measured ones. Finally, this predictive approach, requiring only a tomographic scan of the dry sample, proved to be an effective route for studying processes related to CO 2 invasion structure in geological samples at the pore scale.« less

Visualization and prediction of supercritical CO 2 distribution in sandstones during drainage: An in situ synchrotron X-ray micro-computed tomography study

DOE PAGES

Voltolini, Marco; Kwon, Tae-Hyuk; Ajo-Franklin, Jonathan

2017-10-21

Pore-scale distribution of supercritical CO 2 (scCO 2) exerts significant control on a variety of key hydrologic as well as geochemical processes, including residual trapping and dissolution. Despite such importance, only a small number of experiments have directly characterized the three-dimensional distribution of scCO 2 in geologic materials during the invasion (drainage) process. Here, we present a study which couples dynamic high-resolution synchrotron X-ray micro-computed tomography imaging of a scCO 2/brine system at in situ pressure/temperature conditions with quantitative pore-scale modeling to allow direct validation of a pore-scale description of scCO2 distribution. The experiment combines high-speed synchrotron radiography with tomographymore » to characterize the brine saturated sample, the scCO 2 breakthrough process, and the partially saturated state of a sandstone sample from the Domengine Formation, a regionally extensive unit within the Sacramento Basin (California, USA). The availability of a 3D dataset allowed us to examine correlations between grains and pores morphometric parameters and the actual distribution of scCO 2 in the sample, including the examination of the role of small-scale sedimentary structure on CO2 distribution. The segmented scCO 2/brine volume was also used to validate a simple computational model based on the local thickness concept, able to accurately simulate the distribution of scCO 2 after drainage. The same method was also used to simulate Hg capillary pressure curves with satisfactory results when compared to the measured ones. Finally, this predictive approach, requiring only a tomographic scan of the dry sample, proved to be an effective route for studying processes related to CO 2 invasion structure in geological samples at the pore scale.« less

Factoring out nondecision time in choice reaction time data: Theory and implications.

PubMed

Verdonck, Stijn; Tuerlinckx, Francis

2016-03-01

Choice reaction time (RT) experiments are an invaluable tool in psychology and neuroscience. A common assumption is that the total choice response time is the sum of a decision and a nondecision part (time spent on perceptual and motor processes). While the decision part is typically modeled very carefully (commonly with diffusion models), a simple and ad hoc distribution (mostly uniform) is assumed for the nondecision component. Nevertheless, it has been shown that the misspecification of the nondecision time can severely distort the decision model parameter estimates. In this article, we propose an alternative approach to the estimation of choice RT models that elegantly bypasses the specification of the nondecision time distribution by means of an unconventional convolution of data and decision model distributions (hence called the D*M approach). Once the decision model parameters have been estimated, it is possible to compute a nonparametric estimate of the nondecision time distribution. The technique is tested on simulated data, and is shown to systematically remove traditional estimation bias related to misspecified nondecision time, even for a relatively small number of observations. The shape of the actual underlying nondecision time distribution can also be recovered. Next, the D*M approach is applied to a selection of existing diffusion model application articles. For all of these studies, substantial quantitative differences with the original analyses are found. For one study, these differences radically alter its final conclusions, underlining the importance of our approach. Additionally, we find that strongly right skewed nondecision time distributions are not at all uncommon. (c) 2016 APA, all rights reserved).

Interlaced X-ray diffraction computed tomography

PubMed Central

Vamvakeros, Antonios; Jacques, Simon D. M.; Di Michiel, Marco; Senecal, Pierre; Middelkoop, Vesna; Cernik, Robert J.; Beale, Andrew M.

2016-01-01

An X-ray diffraction computed tomography data-collection strategy that allows, post experiment, a choice between temporal and spatial resolution is reported. This strategy enables time-resolved studies on comparatively short timescales, or alternatively allows for improved spatial resolution if the system under study, or components within it, appear to be unchanging. The application of the method for studying an Mn–Na–W/SiO2 fixed-bed reactor in situ is demonstrated. Additionally, the opportunities to improve the data-collection strategy further, enabling post-collection tuning between statistical, temporal and spatial resolutions, are discussed. In principle, the interlaced scanning approach can also be applied to other pencil-beam tomographic techniques, like X-ray fluorescence computed tomography, X-ray absorption fine structure computed tomography, pair distribution function computed tomography and tomographic scanning transmission X-ray microscopy. PMID:27047305

Continuous-variable quantum computing on encrypted data.

PubMed

Marshall, Kevin; Jacobsen, Christian S; Schäfermeier, Clemens; Gehring, Tobias; Weedbrook, Christian; Andersen, Ulrik L

2016-12-14

The ability to perform computations on encrypted data is a powerful tool for protecting a client's privacy, especially in today's era of cloud and distributed computing. In terms of privacy, the best solutions that classical techniques can achieve are unfortunately not unconditionally secure in the sense that they are dependent on a hacker's computational power. Here we theoretically investigate, and experimentally demonstrate with Gaussian displacement and squeezing operations, a quantum solution that achieves the security of a user's privacy using the practical technology of continuous variables. We demonstrate losses of up to 10 km both ways between the client and the server and show that security can still be achieved. Our approach offers a number of practical benefits (from a quantum perspective) that could one day allow the potential widespread adoption of this quantum technology in future cloud-based computing networks.