Petascale Many Body Methods for Complex Correlated Systems

NASA Astrophysics Data System (ADS)

Pruschke, Thomas

2012-02-01

Correlated systems constitute an important class of materials in modern condensed matter physics. Correlation among electrons are at the heart of all ordering phenomena and many intriguing novel aspects, such as quantum phase transitions or topological insulators, observed in a variety of compounds. Yet, theoretically describing these phenomena is still a formidable task, even if one restricts the models used to the smallest possible set of degrees of freedom. Here, modern computer architectures play an essential role, and the joint effort to devise efficient algorithms and implement them on state-of-the art hardware has become an extremely active field in condensed-matter research. To tackle this task single-handed is quite obviously not possible. The NSF-OISE funded PIRE collaboration ``Graduate Education and Research in Petascale Many Body Methods for Complex Correlated Systems'' is a successful initiative to bring together leading experts around the world to form a virtual international organization for addressing these emerging challenges and educate the next generation of computational condensed matter physicists. The collaboration includes research groups developing novel theoretical tools to reliably and systematically study correlated solids, experts in efficient computational algorithms needed to solve the emerging equations, and those able to use modern heterogeneous computer architectures to make then working tools for the growing community.

Fast CPU-based Monte Carlo simulation for radiotherapy dose calculation.

PubMed

Ziegenhein, Peter; Pirner, Sven; Ph Kamerling, Cornelis; Oelfke, Uwe

2015-08-07

Monte-Carlo (MC) simulations are considered to be the most accurate method for calculating dose distributions in radiotherapy. Its clinical application, however, still is limited by the long runtimes conventional implementations of MC algorithms require to deliver sufficiently accurate results on high resolution imaging data. In order to overcome this obstacle we developed the software-package PhiMC, which is capable of computing precise dose distributions in a sub-minute time-frame by leveraging the potential of modern many- and multi-core CPU-based computers. PhiMC is based on the well verified dose planning method (DPM). We could demonstrate that PhiMC delivers dose distributions which are in excellent agreement to DPM. The multi-core implementation of PhiMC scales well between different computer architectures and achieves a speed-up of up to 37[Formula: see text] compared to the original DPM code executed on a modern system. Furthermore, we could show that our CPU-based implementation on a modern workstation is between 1.25[Formula: see text] and 1.95[Formula: see text] faster than a well-known GPU implementation of the same simulation method on a NVIDIA Tesla C2050. Since CPUs work on several hundreds of GB RAM the typical GPU memory limitation does not apply for our implementation and high resolution clinical plans can be calculated.

Development of modern human subadult age and sex estimation standards using multi-slice computed tomography images from medical examiner's offices

NASA Astrophysics Data System (ADS)

Stock, Michala K.; Stull, Kyra E.; Garvin, Heather M.; Klales, Alexandra R.

2016-10-01

Forensic anthropologists are routinely asked to estimate a biological profile (i.e., age, sex, ancestry and stature) from a set of unidentified remains. In contrast to the abundance of collections and techniques associated with adult skeletons, there is a paucity of modern, documented subadult skeletal material, which limits the creation and validation of appropriate forensic standards. Many are forced to use antiquated methods derived from small sample sizes, which given documented secular changes in the growth and development of children, are not appropriate for application in the medico-legal setting. Therefore, the aim of this project is to use multi-slice computed tomography (MSCT) data from a large, diverse sample of modern subadults to develop new methods to estimate subadult age and sex for practical forensic applications. The research sample will consist of over 1,500 full-body MSCT scans of modern subadult individuals (aged birth to 20 years) obtained from two U.S. medical examiner's offices. Statistical analysis of epiphyseal union scores, long bone osteometrics, and os coxae landmark data will be used to develop modern subadult age and sex estimation standards. This project will result in a database of information gathered from the MSCT scans, as well as the creation of modern, statistically rigorous standards for skeletal age and sex estimation in subadults. Furthermore, the research and methods developed in this project will be applicable to dry bone specimens, MSCT scans, and radiographic images, thus providing both tools and continued access to data for forensic practitioners in a variety of settings.

Computing Principal Eigenvectors of Large Web Graphs: Algorithms and Accelerations Related to PageRank and HITS

ERIC Educational Resources Information Center

Nagasinghe, Iranga

2010-01-01

This thesis investigates and develops a few acceleration techniques for the search engine algorithms used in PageRank and HITS computations. PageRank and HITS methods are two highly successful applications of modern Linear Algebra in computer science and engineering. They constitute the essential technologies accounted for the immense growth and…

Diffraction scattering computed tomography: a window into the structures of complex nanomaterials

PubMed Central

Birkbak, M. E.; Leemreize, H.; Frølich, S.; Stock, S. R.

2015-01-01

Modern functional nanomaterials and devices are increasingly composed of multiple phases arranged in three dimensions over several length scales. Therefore there is a pressing demand for improved methods for structural characterization of such complex materials. An excellent emerging technique that addresses this problem is diffraction/scattering computed tomography (DSCT). DSCT combines the merits of diffraction and/or small angle scattering with computed tomography to allow imaging the interior of materials based on the diffraction or small angle scattering signals. This allows, e.g., one to distinguish the distributions of polymorphs in complex mixtures. Here we review this technique and give examples of how it can shed light on modern nanoscale materials. PMID:26505175

New horizons in mouse immunoinformatics: reliable in silico prediction of mouse class I histocompatibility major complex peptide binding affinity.

PubMed

Hattotuwagama, Channa K; Guan, Pingping; Doytchinova, Irini A; Flower, Darren R

2004-11-21

Quantitative structure-activity relationship (QSAR) analysis is a main cornerstone of modern informatic disciplines. Predictive computational models, based on QSAR technology, of peptide-major histocompatibility complex (MHC) binding affinity have now become a vital component of modern day computational immunovaccinology. Historically, such approaches have been built around semi-qualitative, classification methods, but these are now giving way to quantitative regression methods. The additive method, an established immunoinformatics technique for the quantitative prediction of peptide-protein affinity, was used here to identify the sequence dependence of peptide binding specificity for three mouse class I MHC alleles: H2-D(b), H2-K(b) and H2-K(k). As we show, in terms of reliability the resulting models represent a significant advance on existing methods. They can be used for the accurate prediction of T-cell epitopes and are freely available online ( http://www.jenner.ac.uk/MHCPred).

Intricacies of modern supercomputing illustrated with recent advances in simulations of strongly correlated electron systems

NASA Astrophysics Data System (ADS)

Schulthess, Thomas C.

2013-03-01

The continued thousand-fold improvement in sustained application performance per decade on modern supercomputers keeps opening new opportunities for scientific simulations. But supercomputers have become very complex machines, built with thousands or tens of thousands of complex nodes consisting of multiple CPU cores or, most recently, a combination of CPU and GPU processors. Efficient simulations on such high-end computing systems require tailored algorithms that optimally map numerical methods to particular architectures. These intricacies will be illustrated with simulations of strongly correlated electron systems, where the development of quantum cluster methods, Monte Carlo techniques, as well as their optimal implementation by means of algorithms with improved data locality and high arithmetic density have gone hand in hand with evolving computer architectures. The present work would not have been possible without continued access to computing resources at the National Center for Computational Science of Oak Ridge National Laboratory, which is funded by the Facilities Division of the Office of Advanced Scientific Computing Research, and the Swiss National Supercomputing Center (CSCS) that is funded by ETH Zurich.

The CSM testbed software system: A development environment for structural analysis methods on the NAS CRAY-2

NASA Technical Reports Server (NTRS)

Gillian, Ronnie E.; Lotts, Christine G.

1988-01-01

The Computational Structural Mechanics (CSM) Activity at Langley Research Center is developing methods for structural analysis on modern computers. To facilitate that research effort, an applications development environment has been constructed to insulate the researcher from the many computer operating systems of a widely distributed computer network. The CSM Testbed development system was ported to the Numerical Aerodynamic Simulator (NAS) Cray-2, at the Ames Research Center, to provide a high end computational capability. This paper describes the implementation experiences, the resulting capability, and the future directions for the Testbed on supercomputers.

GIER: A Danish computer from 1961 with a role in the modern revolution of astronomy - II

NASA Astrophysics Data System (ADS)

Høg, Erik

2018-04-01

A Danish computer, GIER, from 1961 played a vital role in the development of a new method for astrometric measurement. This method, photon counting astrometry, ultimately led to two satellites with a significant role in the modern revolution of astronomy. A GIER was installed at the Hamburg Observatory in 1964 where it was used to implement the entirely new method for the measurement of stellar positions by means of a meridian circle, at that time the fundamental instrument of astrometry. An expedition to Perth in Western Australia with the instrument and the computer was a success. This method was also implemented in space in the first ever astrometric satellite Hipparcos launched by ESA in 1989. The Hipparcos results published in 1997 revolutionized astrometry with an impact in all branches of astronomy from the solar system and stellar structure to cosmic distances and the dynamics of the Milky Way. In turn, the results paved the way for a successor, the one million times more powerful Gaia astrometry satellite launched by ESA in 2013. Preparations for a Gaia successor in twenty years are making progress.

All biology is computational biology.

PubMed

Markowetz, Florian

2017-03-01

Here, I argue that computational thinking and techniques are so central to the quest of understanding life that today all biology is computational biology. Computational biology brings order into our understanding of life, it makes biological concepts rigorous and testable, and it provides a reference map that holds together individual insights. The next modern synthesis in biology will be driven by mathematical, statistical, and computational methods being absorbed into mainstream biological training, turning biology into a quantitative science.

Advanced Computational Methods for Monte Carlo Calculations

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

Brown, Forrest B.

This course is intended for graduate students who already have a basic understanding of Monte Carlo methods. It focuses on advanced topics that may be needed for thesis research, for developing new state-of-the-art methods, or for working with modern production Monte Carlo codes.

The Project Method as Practice of Study Activation

ERIC Educational Resources Information Center

Fazlyeva, Zulfiya Kh.; Sheinina, Dina P.; Deputatova, Natalia A.

2016-01-01

Relevance of the problem stated in the article is determined by new teaching approach uniting the traditional teaching experience with that of the modern information technologies, all being merged into a new course of the computer lingua-didactics (the international term of which is "Computer Assisted Language Learning" (CALL) or…

Joint the Center for Applied Scientific Computing

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

Gamblin, Todd; Bremer, Timo; Van Essen, Brian

The Center for Applied Scientific Computing serves as Livermore Lab’s window to the broader computer science, computational physics, applied mathematics, and data science research communities. In collaboration with academic, industrial, and other government laboratory partners, we conduct world-class scientific research and development on problems critical to national security. CASC applies the power of high-performance computing and the efficiency of modern computational methods to the realms of stockpile stewardship, cyber and energy security, and knowledge discovery for intelligence applications.

Quantum chemical studies of estrogenic compounds

USDA-ARS?s Scientific Manuscript database

Quantum chemical methods are potent tools to provide information on the chemical structure and electronic properties of organic molecules. Modern computational chemistry methods have provided a great deal of insight into the binding of estrogenic compounds to estrogenic receptors (ER), an important ...

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

NASA Astrophysics Data System (ADS)

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

2017-04-01

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

A parallel Jacobson-Oksman optimization algorithm. [parallel processing (computers)

NASA Technical Reports Server (NTRS)

Straeter, T. A.; Markos, A. T.

1975-01-01

A gradient-dependent optimization technique which exploits the vector-streaming or parallel-computing capabilities of some modern computers is presented. The algorithm, derived by assuming that the function to be minimized is homogeneous, is a modification of the Jacobson-Oksman serial minimization method. In addition to describing the algorithm, conditions insuring the convergence of the iterates of the algorithm and the results of numerical experiments on a group of sample test functions are presented. The results of these experiments indicate that this algorithm will solve optimization problems in less computing time than conventional serial methods on machines having vector-streaming or parallel-computing capabilities.

Green Day? An Old Mill City Leads a New Revolution in Massachusetts

ERIC Educational Resources Information Center

Brown, Robert A.

2012-01-01

The Northeast United States just experienced one of the region's worst natural disasters. Fortunately, because of the confluence of modern computing power and scientific computing methods, weather forecasting models predicted Sandy's very complicated trajectory and development with a precision that would not have been possible even a decade ago.…

How In-Service Teachers Develop Electronic Lessons

ERIC Educational Resources Information Center

Zsoldos-Marchis, Iuliana

2014-01-01

Computer assisted teaching (CAL) is considered to be a modern teaching method, but it is not widely used by teachers because lack of technology and adequate educational softwares in schools; or lack of teachers' knowledge on methodology and computer use. In order to select the most efficient educational software for their class, teachers should…

Hydrodynamic Simulations of Protoplanetary Disks with GIZMO

NASA Astrophysics Data System (ADS)

Rice, Malena; Laughlin, Greg

2018-01-01

Over the past several decades, the field of computational fluid dynamics has rapidly advanced as the range of available numerical algorithms and computationally feasible physical problems has expanded. The development of modern numerical solvers has provided a compelling opportunity to reconsider previously obtained results in search for yet undiscovered effects that may be revealed through longer integration times and more precise numerical approaches. In this study, we compare the results of past hydrodynamic disk simulations with those obtained from modern analytical resources. We focus our study on the GIZMO code (Hopkins 2015), which uses meshless methods to solve the homogeneous Euler equations of hydrodynamics while eliminating problems arising as a result of advection between grid cells. By comparing modern simulations with prior results, we hope to provide an improved understanding of the impact of fluid mechanics upon the evolution of protoplanetary disks.

An Effective Online Teaching Method: The Combination of Collaborative Learning with Initiation and Self-Regulation Learning with Feedback

ERIC Educational Resources Information Center

Tsai, Chia-Wen

2013-01-01

In modern business environments, work and tasks have become more complex and require more interdisciplinary skills to complete, including collaborative and computing skills for website design. However, the computing education in Taiwan can hardly be recognised as effective in developing and transforming students into competitive employees. In this…

Design of Rail Instrumentation for Wind Tunnel Sonic Boom Measurements and Computational-Experimental Comparisons

NASA Technical Reports Server (NTRS)

Cliff, Susan E.; Elmiligui, A.; Aftosmis, M.; Morgenstern, J.; Durston, D.; Thomas, S.

2012-01-01

An innovative pressure rail concept for wind tunnel sonic boom testing of modern aircraft configurations with very low overpressures was designed with an adjoint-based solution-adapted Cartesian grid method. The computational method requires accurate free-air calculations of a test article as well as solutions modeling the influence of rail and tunnel walls. Specialized grids for accurate Euler and Navier-Stokes sonic boom computations were used on several test articles including complete aircraft models with flow-through nacelles. The computed pressure signatures are compared with recent results from the NASA 9- x 7-foot Supersonic Wind Tunnel using the advanced rail design.

MIA-Clustering: a novel method for segmentation of paleontological material.

PubMed

Dunmore, Christopher J; Wollny, Gert; Skinner, Matthew M

2018-01-01

Paleontological research increasingly uses high-resolution micro-computed tomography (μCT) to study the inner architecture of modern and fossil bone material to answer important questions regarding vertebrate evolution. This non-destructive method allows for the measurement of otherwise inaccessible morphology. Digital measurement is predicated on the accurate segmentation of modern or fossilized bone from other structures imaged in μCT scans, as errors in segmentation can result in inaccurate calculations of structural parameters. Several approaches to image segmentation have been proposed with varying degrees of automation, ranging from completely manual segmentation, to the selection of input parameters required for computational algorithms. Many of these segmentation algorithms provide speed and reproducibility at the cost of flexibility that manual segmentation provides. In particular, the segmentation of modern and fossil bone in the presence of materials such as desiccated soft tissue, soil matrix or precipitated crystalline material can be difficult. Here we present a free open-source segmentation algorithm application capable of segmenting modern and fossil bone, which also reduces subjective user decisions to a minimum. We compare the effectiveness of this algorithm with another leading method by using both to measure the parameters of a known dimension reference object, as well as to segment an example problematic fossil scan. The results demonstrate that the medical image analysis-clustering method produces accurate segmentations and offers more flexibility than those of equivalent precision. Its free availability, flexibility to deal with non-bone inclusions and limited need for user input give it broad applicability in anthropological, anatomical, and paleontological contexts.

DoD High Performance Computing Modernization Program Users Group Conference (HPCMP UGC 2011) Held in Portland, Oregon on June 20-23, 2011

DTIC Science & Technology

2011-06-01

4. Conclusion The Web -based AGeS system described in this paper is a computationally-efficient and scalable system for high- throughput genome...method for protecting web services involves making them more resilient to attack using autonomic computing techniques. This paper presents our initial...20–23, 2011 2011 DoD High Performance Computing Modernzation Program Users Group Conference HPCMP UGC 2011 The papers in this book comprise the

Dynamic modeling of parallel robots for computed-torque control implementation

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

Codourey, A.

1998-12-01

In recent years, increased interest in parallel robots has been observed. Their control with modern theory, such as the computed-torque method, has, however, been restrained, essentially due to the difficulty in establishing a simple dynamic model that can be calculated in real time. In this paper, a simple method based on the virtual work principle is proposed for modeling parallel robots. The mass matrix of the robot, needed for decoupling control strategies, does not explicitly appear in the formulation; however, it can be computed separately, based on kinetic energy considerations. The method is applied to the DELTA parallel robot, leadingmore » to a very efficient model that has been implemented in a real-time computed-torque control algorithm.« less

Evolution of computational chemistry, the "launch pad" to scientific computational models: The early days from a personal account, the present status from the TACC-2012 congress, and eventual future applications from the global simulation approach

NASA Astrophysics Data System (ADS)

Clementi, Enrico

2012-06-01

This is the introductory chapter to the AIP Proceedings volume "Theory and Applications of Computational Chemistry: The First Decade of the Second Millennium" where we discuss the evolution of "computational chemistry". Very early variational computational chemistry developments are reported in Sections 1 to 7, and 11, 12 by recalling some of the computational chemistry contributions by the author and his collaborators (from late 1950 to mid 1990); perturbation techniques are not considered in this already extended work. Present day's computational chemistry is partly considered in Sections 8 to 10 where more recent studies by the author and his collaborators are discussed, including the Hartree-Fock-Heitler-London method; a more general discussion on present day computational chemistry is presented in Section 14. The following chapters of this AIP volume provide a view of modern computational chemistry. Future computational chemistry developments can be extrapolated from the chapters of this AIP volume; further, in Sections 13 and 15 present an overall analysis on computational chemistry, obtained from the Global Simulation approach, by considering the evolution of scientific knowledge confronted with the opportunities offered by modern computers.

Brønsted acidity of protic ionic liquids: a modern ab initio valence bond theory perspective.

PubMed

Patil, Amol Baliram; Mahadeo Bhanage, Bhalchandra

2016-09-21

Room temperature ionic liquids (ILs), especially protic ionic liquids (PILs), are used in many areas of the chemical sciences. Ionicity, the extent of proton transfer, is a key parameter which determines many physicochemical properties and in turn the suitability of PILs for various applications. The spectrum of computational chemistry techniques applied to investigate ionic liquids includes classical molecular dynamics, Monte Carlo simulations, ab initio molecular dynamics, Density Functional Theory (DFT), CCSD(t) etc. At the other end of the spectrum is another computational approach: modern ab initio Valence Bond Theory (VBT). VBT differs from molecular orbital theory based methods in the expression of the molecular wave function. The molecular wave function in the valence bond ansatz is expressed as a linear combination of valence bond structures. These structures include covalent and ionic structures explicitly. Modern ab initio valence bond theory calculations of representative primary and tertiary ammonium protic ionic liquids indicate that modern ab initio valence bond theory can be employed to assess the acidity and ionicity of protic ionic liquids a priori.

Computer methods in designing tourist equipment for people with disabilities

NASA Astrophysics Data System (ADS)

Zuzda, Jolanta GraŻyna; Borkowski, Piotr; Popławska, Justyna; Latosiewicz, Robert; Moska, Eleonora

2017-11-01

Modern technologies enable disabled people to enjoy physical activity every day. Many new structures are matched individually and created for people who fancy active tourism, giving them wider opportunities for active pastime. The process of creating this type of devices in every stage, from initial design through assessment to validation, is assisted by various types of computer support software.

Modern Teaching Methods in Physics with the Aid of Original Computer Codes and Graphical Representations

ERIC Educational Resources Information Center

Ivanov, Anisoara; Neacsu, Andrei

2011-01-01

This study describes the possibility and advantages of utilizing simple computer codes to complement the teaching techniques for high school physics. The authors have begun working on a collection of open source programs which allow students to compare the results and graphics from classroom exercises with the correct solutions and further more to…

Overview of the SAMSI year-long program on Statistical, Mathematical and Computational Methods for Astronomy

NASA Astrophysics Data System (ADS)

Jogesh Babu, G.

2017-01-01

A year-long research (Aug 2016- May 2017) program on `Statistical, Mathematical and Computational Methods for Astronomy (ASTRO)’ is well under way at Statistical and Applied Mathematical Sciences Institute (SAMSI), a National Science Foundation research institute in Research Triangle Park, NC. This program has brought together astronomers, computer scientists, applied mathematicians and statisticians. The main aims of this program are: to foster cross-disciplinary activities; to accelerate the adoption of modern statistical and mathematical tools into modern astronomy; and to develop new tools needed for important astronomical research problems. The program provides multiple avenues for cross-disciplinary interactions, including several workshops, long-term visitors, and regular teleconferences, so participants can continue collaborations, even if they can only spend limited time in residence at SAMSI. The main program is organized around five working groups:i) Uncertainty Quantification and Astrophysical Emulationii) Synoptic Time Domain Surveysiii) Multivariate and Irregularly Sampled Time Seriesiv) Astrophysical Populationsv) Statistics, computation, and modeling in cosmology.A brief description of each of the work under way by these groups will be given. Overlaps among various working groups will also be highlighted. How the wider astronomy community can both participate and benefit from the activities, will be briefly mentioned.

Application of a Novel Collaboration Engineering Method for Learning Design: A Case Study

ERIC Educational Resources Information Center

Cheng, Xusen; Li, Yuanyuan; Sun, Jianshan; Huang, Jianqing

2016-01-01

Collaborative case studies and computer-supported collaborative learning (CSCL) play an important role in the modern education environment. A number of researchers have given significant attention to learning design in order to improve the satisfaction of collaborative learning. Although collaboration engineering (CE) is a mature method widely…

Computational methods in the pricing and risk management of modern financial derivatives

NASA Astrophysics Data System (ADS)

Deutsch, Hans-Peter

1999-09-01

In the last 20 years modern finance has developed into a complex mathematically challenging field. Very complicated risks exist in financial markets which need very advanced methods to measure and/or model them. The financial instruments invented by the market participants to trade these risk, the so called derivatives are usually even more complicated than the risks themselves and also sometimes generate new riks. Topics like random walks, stochastic differential equations, martingale measures, time series analysis, implied correlations, etc. are of common use in the field. This is why more and more people with a science background, such as physicists, mathematicians, or computer scientists, are entering the field of finance. The measurement and management of all theses risks is the key to the continuing success of banks. This talk gives insight into today's common methods of modern market risk management such as variance-covariance, historical simulation, Monte Carlo, “Greek” ratios, etc., including the statistical concepts on which they are based. Derivatives are at the same time the main reason for and the most effective means of conducting risk management. As such, they stand at the beginning and end of risk management. The valuation of derivatives and structured financial instruments is therefore the prerequisite, the condition sine qua non, for all risk management. This talk introduces some of the important valuation methods used in modern derivatives pricing such as present value, Black-Scholes, binomial trees, Monte Carlo, etc. In summary this talk highlights an area outside physics where there is a lot of interesting work to do, especially for physicists. Or as one of our consultants said: The fascinating thing about this job is that Arthur Andersen hired me not ALTHOUGH I am a physicist but BECAUSE I am a physicist.

CSM research: Methods and application studies

NASA Technical Reports Server (NTRS)

Knight, Norman F., Jr.

1989-01-01

Computational mechanics is that discipline of applied science and engineering devoted to the study of physical phenomena by means of computational methods based on mathematical modeling and simulation, utilizing digital computers. The discipline combines theoretical and applied mechanics, approximation theory, numerical analysis, and computer science. Computational mechanics has had a major impact on engineering analysis and design. When applied to structural mechanics, the discipline is referred to herein as computational structural mechanics. Complex structures being considered by NASA for the 1990's include composite primary aircraft structures and the space station. These structures will be much more difficult to analyze than today's structures and necessitate a major upgrade in computerized structural analysis technology. NASA has initiated a research activity in structural analysis called Computational Structural Mechanics (CSM). The broad objective of the CSM activity is to develop advanced structural analysis technology that will exploit modern and emerging computers, such as those with vector and/or parallel processing capabilities. Here, the current research directions for the Methods and Application Studies Team of the Langley CSM activity are described.

Orthorectification by Using Gpgpu Method

NASA Astrophysics Data System (ADS)

Sahin, H.; Kulur, S.

2012-07-01

Thanks to the nature of the graphics processing, the newly released products offer highly parallel processing units with high-memory bandwidth and computational power of more than teraflops per second. The modern GPUs are not only powerful graphic engines but also they are high level parallel programmable processors with very fast computing capabilities and high-memory bandwidth speed compared to central processing units (CPU). Data-parallel computations can be shortly described as mapping data elements to parallel processing threads. The rapid development of GPUs programmability and capabilities attracted the attentions of researchers dealing with complex problems which need high level calculations. This interest has revealed the concepts of "General Purpose Computation on Graphics Processing Units (GPGPU)" and "stream processing". The graphic processors are powerful hardware which is really cheap and affordable. So the graphic processors became an alternative to computer processors. The graphic chips which were standard application hardware have been transformed into modern, powerful and programmable processors to meet the overall needs. Especially in recent years, the phenomenon of the usage of graphics processing units in general purpose computation has led the researchers and developers to this point. The biggest problem is that the graphics processing units use different programming models unlike current programming methods. Therefore, an efficient GPU programming requires re-coding of the current program algorithm by considering the limitations and the structure of the graphics hardware. Currently, multi-core processors can not be programmed by using traditional programming methods. Event procedure programming method can not be used for programming the multi-core processors. GPUs are especially effective in finding solution for repetition of the computing steps for many data elements when high accuracy is needed. Thus, it provides the computing process more quickly and accurately. Compared to the GPUs, CPUs which perform just one computing in a time according to the flow control are slower in performance. This structure can be evaluated for various applications of computer technology. In this study covers how general purpose parallel programming and computational power of the GPUs can be used in photogrammetric applications especially direct georeferencing. The direct georeferencing algorithm is coded by using GPGPU method and CUDA (Compute Unified Device Architecture) programming language. Results provided by this method were compared with the traditional CPU programming. In the other application the projective rectification is coded by using GPGPU method and CUDA programming language. Sample images of various sizes, as compared to the results of the program were evaluated. GPGPU method can be used especially in repetition of same computations on highly dense data, thus finding the solution quickly.

Remote control system for high-perfomance computer simulation of crystal growth by the PFC method

NASA Astrophysics Data System (ADS)

Pavlyuk, Evgeny; Starodumov, Ilya; Osipov, Sergei

2017-04-01

Modeling of crystallization process by the phase field crystal method (PFC) - one of the important directions of modern computational materials science. In this paper, the practical side of the computer simulation of the crystallization process by the PFC method is investigated. To solve problems using this method, it is necessary to use high-performance computing clusters, data storage systems and other often expensive complex computer systems. Access to such resources is often limited, unstable and accompanied by various administrative problems. In addition, the variety of software and settings of different computing clusters sometimes does not allow researchers to use unified program code. There is a need to adapt the program code for each configuration of the computer complex. The practical experience of the authors has shown that the creation of a special control system for computing with the possibility of remote use can greatly simplify the implementation of simulations and increase the performance of scientific research. In current paper we show the principal idea of such a system and justify its efficiency.

Parallelization of the preconditioned IDR solver for modern multicore computer systems

NASA Astrophysics Data System (ADS)

Bessonov, O. A.; Fedoseyev, A. I.

2012-10-01

This paper present the analysis, parallelization and optimization approach for the large sparse matrix solver CNSPACK for modern multicore microprocessors. CNSPACK is an advanced solver successfully used for coupled solution of stiff problems arising in multiphysics applications such as CFD, semiconductor transport, kinetic and quantum problems. It employs iterative IDR algorithm with ILU preconditioning (user chosen ILU preconditioning order). CNSPACK has been successfully used during last decade for solving problems in several application areas, including fluid dynamics and semiconductor device simulation. However, there was a dramatic change in processor architectures and computer system organization in recent years. Due to this, performance criteria and methods have been revisited, together with involving the parallelization of the solver and preconditioner using Open MP environment. Results of the successful implementation for efficient parallelization are presented for the most advances computer system (Intel Core i7-9xx or two-processor Xeon 55xx/56xx).

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

NASA Astrophysics Data System (ADS)

Kubina, Stanley J.

1989-09-01

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

The journey from forensic to predictive materials science using density functional theory

DOE PAGES

Schultz, Peter A.

2017-09-12

Approximate methods for electronic structure, implemented in sophisticated computer codes and married to ever-more powerful computing platforms, have become invaluable in chemistry and materials science. The maturing and consolidation of quantum chemistry codes since the 1980s, based upon explicitly correlated electronic wave functions, has made them a staple of modern molecular chemistry. Here, the impact of first principles electronic structure in physics and materials science had lagged owing to the extra formal and computational demands of bulk calculations.

The journey from forensic to predictive materials science using density functional theory

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

Schultz, Peter A.

Approximate methods for electronic structure, implemented in sophisticated computer codes and married to ever-more powerful computing platforms, have become invaluable in chemistry and materials science. The maturing and consolidation of quantum chemistry codes since the 1980s, based upon explicitly correlated electronic wave functions, has made them a staple of modern molecular chemistry. Here, the impact of first principles electronic structure in physics and materials science had lagged owing to the extra formal and computational demands of bulk calculations.

Breast tumor malignancy modelling using evolutionary neural logic networks.

PubMed

Tsakonas, Athanasios; Dounias, Georgios; Panagi, Georgia; Panourgias, Evangelia

2006-01-01

The present work proposes a computer assisted methodology for the effective modelling of the diagnostic decision for breast tumor malignancy. The suggested approach is based on innovative hybrid computational intelligence algorithms properly applied in related cytological data contained in past medical records. The experimental data used in this study were gathered in the early 1990s in the University of Wisconsin, based in post diagnostic cytological observations performed by expert medical staff. Data were properly encoded in a computer database and accordingly, various alternative modelling techniques were applied on them, in an attempt to form diagnostic models. Previous methods included standard optimisation techniques, as well as artificial intelligence approaches, in a way that a variety of related publications exists in modern literature on the subject. In this report, a hybrid computational intelligence approach is suggested, which effectively combines modern mathematical logic principles, neural computation and genetic programming in an effective manner. The approach proves promising either in terms of diagnostic accuracy and generalization capabilities, or in terms of comprehensibility and practical importance for the related medical staff.

Analysis of lead twist in modern high-performance grinding methods

NASA Astrophysics Data System (ADS)

Kundrák, J.; Gyáni, K.; Felhő, C.; Markopoulos, AP; Deszpoth, I.

2016-11-01

According to quality requirements of road vehicles shafts, which bear dynamic seals, twisted-pattern micro-geometrical topography is not allowed. It is a question whether newer modern grinding methods - such as quick-point grinding and peel grinding - could provide twist- free topography. According to industrial experience, twist-free surfaces can be made, however with certain settings, same twist occurs. In this paper it is proved by detailed chip-geometrical analysis that the topography generated by the new procedures is theoretically twist-patterned because of the feeding motion of the CBN tool. The presented investigation was carried out by a single-grain wheel model and computer simulation.

Formal methods in computer system design

NASA Astrophysics Data System (ADS)

Hoare, C. A. R.

1989-12-01

This note expounds a philosophy of engineering design which is stimulated, guided and checked by mathematical calculations and proofs. Its application to software engineering promises the same benifits as those derived from the use of mathematics in all other branches of modern science.

The Development of Sociocultural Competence with the Help of Computer Technology

ERIC Educational Resources Information Center

Rakhimova, Alina E.; Yashina, Marianna E.; Mukhamadiarova, Albina F.; Sharipova, Astrid V.

2017-01-01

The article deals with the description of the process of development sociocultural knowledge and competences using computer technologies. On the whole the development of modern computer technologies allows teachers to broaden trainees' sociocultural outlook and trace their progress online. Observation of modern computer technologies and estimation…

A Stimulating Approach To Teaching, Learning and Assessing Finite Element Methods: A Case Study.

ERIC Educational Resources Information Center

Karadelis, J. N.

1998-01-01

Examines the benefits of introducing finite element methods into the curriculum of undergraduate courses. Analyzes the structure of the computer-assisted-design module and the extent to which it fulfills its main objectives. Discusses the efficiency of modern teaching and learning techniques used to develop skills for solving engineering problems;…

The application of computer image analysis in life sciences and environmental engineering

NASA Astrophysics Data System (ADS)

Mazur, R.; Lewicki, A.; Przybył, K.; Zaborowicz, M.; Koszela, K.; Boniecki, P.; Mueller, W.; Raba, B.

2014-04-01

The main aim of the article was to present research on the application of computer image analysis in Life Science and Environmental Engineering. The authors used different methods of computer image analysis in developing of an innovative biotest in modern biomonitoring of water quality. Created tools were based on live organisms such as bioindicators Lemna minor L. and Hydra vulgaris Pallas as well as computer image analysis method in the assessment of negatives reactions during the exposition of the organisms to selected water toxicants. All of these methods belong to acute toxicity tests and are particularly essential in ecotoxicological assessment of water pollutants. Developed bioassays can be used not only in scientific research but are also applicable in environmental engineering and agriculture in the study of adverse effects on water quality of various compounds used in agriculture and industry.

Guidance and Control System for a Satellite Constellation

NASA Technical Reports Server (NTRS)

Bryson, Jonathan Lamar; Cox, James; Mays, Paul Richard; Neidhoefer, James Christian; Ephrain, Richard

2010-01-01

A distributed guidance and control algorithm was developed for a constellation of satellites. The system repositions satellites as required, regulates satellites to desired orbits, and prevents collisions. 1. Optimal methods are used to compute nominal transfers from orbit to orbit. 2. Satellites are regulated to maintain the desired orbits once the transfers are complete. 3. A simulator is used to predict potential collisions or near-misses. 4. Each satellite computes perturbations to its controls so as to increase any unacceptable distances of nearest approach to other objects. a. The avoidance problem is recast in a distributed and locally-linear form to arrive at a tractable solution. b. Plant matrix values are approximated via simulation at each time step. c. The Linear Quadratic Gaussian (LQG) method is used to compute perturbations to the controls that will result in increased miss distances. 5. Once all danger is passed, the satellites return to their original orbits, all the while avoiding each other as above. 6. The delta-Vs are reasonable. The controller begins maneuvers as soon as practical to minimize delta-V. 7. Despite the inclusion of trajectory simulations within the control loop, the algorithm is sufficiently fast for available satellite computer hardware. 8. The required measurement accuracies are within the capabilities of modern inertial measurement devices and modern positioning devices.

CFD Sensitivity Analysis of a Modern Civil Transport Near Buffet-Onset Conditions

NASA Technical Reports Server (NTRS)

Rumsey, Christopher L.; Allison, Dennis O.; Biedron, Robert T.; Buning, Pieter G.; Gainer, Thomas G.; Morrison, Joseph H.; Rivers, S. Melissa; Mysko, Stephen J.; Witkowski, David P.

2001-01-01

A computational fluid dynamics (CFD) sensitivity analysis is conducted for a modern civil transport at several conditions ranging from mostly attached flow to flow with substantial separation. Two different Navier-Stokes computer codes and four different turbulence models are utilized, and results are compared both to wind tunnel data at flight Reynolds number and flight data. In-depth CFD sensitivities to grid, code, spatial differencing method, aeroelastic shape, and turbulence model are described for conditions near buffet onset (a condition at which significant separation exists). In summary, given a grid of sufficient density for a given aeroelastic wing shape, the combined approximate error band in CFD at conditions near buffet onset due to code, spatial differencing method, and turbulence model is: 6% in lift, 7% in drag, and 16% in moment. The biggest two contributers to this uncertainty are turbulence model and code. Computed results agree well with wind tunnel surface pressure measurements both for an overspeed 'cruise' case as well as a case with small trailing edge separation. At and beyond buffet onset, computed results agree well over the inner half of the wing, but shock location is predicted too far aft at some of the outboard stations. Lift, drag, and moment curves are predicted in good agreement with experimental results from the wind tunnel.

Preparing and Presenting Chemical Genealogies Using Modern Methods: The Case of the University of Massachusetts-Amherst

ERIC Educational Resources Information Center

Adams. David L.; Tambouret, Yann

2004-01-01

The methodology of compiling an academic genealogy using the Internet and computer technology is described. Details on the use of the Internet both to gather information and to make the results available are provided.

Articles on Practical Cybernetics. Computer-Developed Computers; Heuristics and Modern Sciences; Linguistics and Practice; Cybernetics and Moral-Ethical Considerations; and Men and Machines at the Chessboard.

ERIC Educational Resources Information Center

Berg, A. I.; And Others

Five articles which were selected from a Russian language book on cybernetics and then translated are presented here. They deal with the topics of: computer-developed computers, heuristics and modern sciences, linguistics and practice, cybernetics and moral-ethical considerations, and computer chess programs. (Author/JY)

cuSwift --- a suite of numerical integration methods for modelling planetary systems implemented in C/CUDA

NASA Astrophysics Data System (ADS)

Hellmich, S.; Mottola, S.; Hahn, G.; Kührt, E.; Hlawitschka, M.

2014-07-01

Simulations of dynamical processes in planetary systems represent an important tool for studying the orbital evolution of the systems [1--3]. Using modern numerical integration methods, it is possible to model systems containing many thousands of objects over timescales of several hundred million years. However, in general, supercomputers are needed to get reasonable simulation results in acceptable execution times [3]. To exploit the ever-growing computation power of Graphics Processing Units (GPUs) in modern desktop computers, we implemented cuSwift, a library of numerical integration methods for studying long-term dynamical processes in planetary systems. cuSwift can be seen as a re-implementation of the famous SWIFT integrator package written by Hal Levison and Martin Duncan. cuSwift is written in C/CUDA and contains different integration methods for various purposes. So far, we have implemented three algorithms: a 15th-order Radau integrator [4], the Wisdom-Holman Mapping (WHM) integrator [5], and the Regularized Mixed Variable Symplectic (RMVS) Method [6]. These algorithms treat only the planets as mutually gravitationally interacting bodies whereas asteroids and comets (or other minor bodies of interest) are treated as massless test particles which are gravitationally influenced by the massive bodies but do not affect each other or the massive bodies. The main focus of this work is on the symplectic methods (WHM and RMVS) which use a larger time step and thus are capable of integrating many particles over a large time span. As an additional feature, we implemented the non-gravitational Yarkovsky effect as described by M. Brož [7]. With cuSwift, we show that the use of modern GPUs makes it possible to speed up these methods by more than one order of magnitude compared to the single-core CPU implementation, thereby enabling modest workstation computers to perform long-term dynamical simulations. We use these methods to study the influence of the Yarkovsky effect on resonant asteroids. We present first results and compare them with integrations done with the original algorithms implemented in SWIFT in order to assess the numerical precision of cuSwift and to demonstrate the speed-up we achieved using the GPU.

Modernization and optimization of a legacy open-source CFD code for high-performance computing architectures

NASA Astrophysics Data System (ADS)

Gel, Aytekin; Hu, Jonathan; Ould-Ahmed-Vall, ElMoustapha; Kalinkin, Alexander A.

2017-02-01

Legacy codes remain a crucial element of today's simulation-based engineering ecosystem due to the extensive validation process and investment in such software. The rapid evolution of high-performance computing architectures necessitates the modernization of these codes. One approach to modernization is a complete overhaul of the code. However, this could require extensive investments, such as rewriting in modern languages, new data constructs, etc., which will necessitate systematic verification and validation to re-establish the credibility of the computational models. The current study advocates using a more incremental approach and is a culmination of several modernization efforts of the legacy code MFIX, which is an open-source computational fluid dynamics code that has evolved over several decades, widely used in multiphase flows and still being developed by the National Energy Technology Laboratory. Two different modernization approaches,'bottom-up' and 'top-down', are illustrated. Preliminary results show up to 8.5x improvement at the selected kernel level with the first approach, and up to 50% improvement in total simulated time with the latter were achieved for the demonstration cases and target HPC systems employed.

Methodology of problem-based learning engineering and technology and of its implementation with modern computer resources

NASA Astrophysics Data System (ADS)

Lebedev, A. A.; Ivanova, E. G.; Komleva, V. A.; Klokov, N. M.; Komlev, A. A.

2017-01-01

The considered method of learning the basics of microelectronic circuits and systems amplifier enables one to understand electrical processes deeper, to understand the relationship between static and dynamic characteristics and, finally, bring the learning process to the cognitive process. The scheme of problem-based learning can be represented by the following sequence of procedures: the contradiction is perceived and revealed; the cognitive motivation is provided by creating a problematic situation (the mental state of the student), moving the desire to solve the problem, to raise the question "why?", the hypothesis is made; searches for solutions are implemented; the answer is looked for. Due to the complexity of architectural schemes in the work the modern methods of computer analysis and synthesis are considered in the work. Examples of engineering by students in the framework of students' scientific and research work of analog circuits with improved performance based on standard software and software developed at the Department of Microelectronics MEPhI.

Examination and notes to the astronomical records in >SUISHU<.

NASA Astrophysics Data System (ADS)

Liu, Ciyuan

1996-06-01

Astronomical records are an important part in Chinese official historical books. Their main purpose was for astrology and they are an obstacle for historians who read those books. With modern astronomical methods, one can compute and examine most of those ancient records. By comparing the computed results with the original texts, one can examine the texts, find their mistakes, study their observation method and regulation, inspect astrological theory, take a deeper understanding to those important historical materials. As an example the author deals with the astronomcial records of Dynasties Liang and Chen for 60 years in >SUISHU<, the official history of Dynasty Sui. He also synthesized other historical sources in addition to the astronomical computation.

An approach to quantum-computational hydrologic inverse analysis

DOE PAGES

O'Malley, Daniel

2018-05-02

Making predictions about flow and transport in an aquifer requires knowledge of the heterogeneous properties of the aquifer such as permeability. Computational methods for inverse analysis are commonly used to infer these properties from quantities that are more readily observable such as hydraulic head. We present a method for computational inverse analysis that utilizes a type of quantum computer called a quantum annealer. While quantum computing is in an early stage compared to classical computing, we demonstrate that it is sufficiently developed that it can be used to solve certain subsurface flow problems. We utilize a D-Wave 2X quantum annealermore » to solve 1D and 2D hydrologic inverse problems that, while small by modern standards, are similar in size and sometimes larger than hydrologic inverse problems that were solved with early classical computers. Our results and the rapid progress being made with quantum computing hardware indicate that the era of quantum-computational hydrology may not be too far in the future.« less

An approach to quantum-computational hydrologic inverse analysis.

PubMed

O'Malley, Daniel

2018-05-02

Making predictions about flow and transport in an aquifer requires knowledge of the heterogeneous properties of the aquifer such as permeability. Computational methods for inverse analysis are commonly used to infer these properties from quantities that are more readily observable such as hydraulic head. We present a method for computational inverse analysis that utilizes a type of quantum computer called a quantum annealer. While quantum computing is in an early stage compared to classical computing, we demonstrate that it is sufficiently developed that it can be used to solve certain subsurface flow problems. We utilize a D-Wave 2X quantum annealer to solve 1D and 2D hydrologic inverse problems that, while small by modern standards, are similar in size and sometimes larger than hydrologic inverse problems that were solved with early classical computers. Our results and the rapid progress being made with quantum computing hardware indicate that the era of quantum-computational hydrology may not be too far in the future.

An approach to quantum-computational hydrologic inverse analysis

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

O'Malley, Daniel

Making predictions about flow and transport in an aquifer requires knowledge of the heterogeneous properties of the aquifer such as permeability. Computational methods for inverse analysis are commonly used to infer these properties from quantities that are more readily observable such as hydraulic head. We present a method for computational inverse analysis that utilizes a type of quantum computer called a quantum annealer. While quantum computing is in an early stage compared to classical computing, we demonstrate that it is sufficiently developed that it can be used to solve certain subsurface flow problems. We utilize a D-Wave 2X quantum annealermore » to solve 1D and 2D hydrologic inverse problems that, while small by modern standards, are similar in size and sometimes larger than hydrologic inverse problems that were solved with early classical computers. Our results and the rapid progress being made with quantum computing hardware indicate that the era of quantum-computational hydrology may not be too far in the future.« less

A comparison of acceleration methods for solving the neutron transport k-eigenvalue problem

NASA Astrophysics Data System (ADS)

Willert, Jeffrey; Park, H.; Knoll, D. A.

2014-10-01

Over the past several years a number of papers have been written describing modern techniques for numerically computing the dominant eigenvalue of the neutron transport criticality problem. These methods fall into two distinct categories. The first category of methods rewrite the multi-group k-eigenvalue problem as a nonlinear system of equations and solve the resulting system using either a Jacobian-Free Newton-Krylov (JFNK) method or Nonlinear Krylov Acceleration (NKA), a variant of Anderson Acceleration. These methods are generally successful in significantly reducing the number of transport sweeps required to compute the dominant eigenvalue. The second category of methods utilize Moment-Based Acceleration (or High-Order/Low-Order (HOLO) Acceleration). These methods solve a sequence of modified diffusion eigenvalue problems whose solutions converge to the solution of the original transport eigenvalue problem. This second class of methods is, in our experience, always superior to the first, as most of the computational work is eliminated by the acceleration from the LO diffusion system. In this paper, we review each of these methods. Our computational results support our claim that the choice of which nonlinear solver to use, JFNK or NKA, should be secondary. The primary computational savings result from the implementation of a HOLO algorithm. We display computational results for a series of challenging multi-dimensional test problems.

Evaluation of Proteus as a Tool for the Rapid Development of Models of Hydrologic Systems

NASA Astrophysics Data System (ADS)

Weigand, T. M.; Farthing, M. W.; Kees, C. E.; Miller, C. T.

2013-12-01

Models of modern hydrologic systems can be complex and involve a variety of operators with varying character. The goal is to implement approximations of such models that are both efficient for the developer and computationally efficient, which is a set of naturally competing objectives. Proteus is a Python-based toolbox that supports prototyping of model formulations as well as a wide variety of modern numerical methods and parallel computing. We used Proteus to develop numerical approximations for three models: Richards' equation, a brine flow model derived using the Thermodynamically Constrained Averaging Theory (TCAT), and a multiphase TCAT-based tumor growth model. For Richards' equation, we investigated discontinuous Galerkin solutions with higher order time integration based on the backward difference formulas. The TCAT brine flow model was implemented using Proteus and a variety of numerical methods were compared to hand coded solutions. Finally, an existing tumor growth model was implemented in Proteus to introduce more advanced numerics and allow the code to be run in parallel. From these three example models, Proteus was found to be an attractive open-source option for rapidly developing high quality code for solving existing and evolving computational science models.

Developing and applying modern methods of leakage monitoring and state estimation of fuel at the Novovoronezh nuclear power plant

NASA Astrophysics Data System (ADS)

Povarov, V. P.; Tereshchenko, A. B.; Kravchenko, Yu. N.; Pozychanyuk, I. V.; Gorobtsov, L. I.; Golubev, E. I.; Bykov, V. I.; Likhanskii, V. V.; Evdokimov, I. A.; Zborovskii, V. G.; Sorokin, A. A.; Kanyukova, V. D.; Aliev, T. N.

2014-02-01

The results of developing and implementing the modernized fuel leakage monitoring methods at the shut-down and running reactor of the Novovoronezh nuclear power plant (NPP) are presented. An automated computerized expert system integrated with an in-core monitoring system (ICMS) and installed at the Novovoronezh NPP unit no. 5 is described. If leaky fuel elements appear in the core, the system allows one to perform on-line assessment of the parameters of leaky fuel assemblies (FAs). The computer expert system units designed for optimizing the operating regimes and enhancing the fuel usage efficiency at the Novovoronezh NPP unit no. 5 are now being developed.

Effects of Turbulence Model on Prediction of Hot-Gas Lateral Jet Interaction in a Supersonic Crossflow

DTIC Science & Technology

2015-07-01

performance computing time from the US Department of Defense (DOD) High Performance Computing Modernization program at the US Army Research Laboratory...Approved OMB No. 0704-0188 Public reporting burden for this collection of information is estimated to average 1 hour per response, including the time ...dimensional, compressible, Reynolds-averaged Navier-Stokes (RANS) equations are solved using a finite volume method. A point-implicit time - integration

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.

Computer-assisted learning in critical care: from ENIAC to HAL.

PubMed

Tegtmeyer, K; Ibsen, L; Goldstein, B

2001-08-01

Computers are commonly used to serve many functions in today's modern intensive care unit. One of the most intriguing and perhaps most challenging applications of computers has been to attempt to improve medical education. With the introduction of the first computer, medical educators began looking for ways to incorporate their use into the modern curriculum. Prior limitations of cost and complexity of computers have consistently decreased since their introduction, making it increasingly feasible to incorporate computers into medical education. Simultaneously, the capabilities and capacities of computers have increased. Combining the computer with other modern digital technology has allowed the development of more intricate and realistic educational tools. The purpose of this article is to briefly describe the history and use of computers in medical education with special reference to critical care medicine. In addition, we will examine the role of computers in teaching and learning and discuss the types of interaction between the computer user and the computer.

Porting of the transfer-matrix method for multilayer thin-film computations on graphics processing units

NASA Astrophysics Data System (ADS)

Limmer, Steffen; Fey, Dietmar

2013-07-01

Thin-film computations are often a time-consuming task during optical design. An efficient way to accelerate these computations with the help of graphics processing units (GPUs) is described. It turned out that significant speed-ups can be achieved. We investigate the circumstances under which the best speed-up values can be expected. Therefore we compare different GPUs among themselves and with a modern CPU. Furthermore, the effect of thickness modulation on the speed-up and the runtime behavior depending on the input data is examined.

An S N Algorithm for Modern Architectures

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

Baker, Randal Scott

2016-08-29

LANL discrete ordinates transport packages are required to perform large, computationally intensive time-dependent calculations on massively parallel architectures, where even a single such calculation may need many months to complete. While KBA methods scale out well to very large numbers of compute nodes, we are limited by practical constraints on the number of such nodes we can actually apply to any given calculation. Instead, we describe a modified KBA algorithm that allows realization of the reductions in solution time offered by both the current, and future, architectural changes within a compute node.

Optical testing of aspheres based on photochromic computer-generated holograms

NASA Astrophysics Data System (ADS)

Pariani, Giorgio; Bianco, Andrea; Bertarelli, Chiara; Spanó, Paolo; Molinari, Emilio

2010-07-01

Aspherical optics are widely used in modern optical telescopes and instrumentation because of their ability to reduce aberrations with a simple optical system. Testing their optical quality through null interferometry is not trivial as reference optics are not available. Computer-Generated Holograms (CGHs) are efficient devices that allow to generate a well-defined optical wavefront. We developed rewritable Computer Generated Holograms for the interferometric test of aspheres based on photochromic layers. These photochromic holograms are cost-effective and the method of production does not need any post exposure process.

Evolution of Advection Upstream Splitting Method Schemes

NASA Technical Reports Server (NTRS)

Liou, Meng-Sing

2010-01-01

This paper focuses on the evolution of advection upstream splitting method(AUSM) schemes. The main ingredients that have led to the development of modern computational fluid dynamics (CFD) methods have been reviewed, thus the ideas behind AUSM. First and foremost is the concept of upwinding. Second, the use of Riemann problem in constructing the numerical flux in the finite-volume setting. Third, the necessity of including all physical processes, as characterised by the linear (convection) and nonlinear (acoustic) fields. Fourth, the realisation of separating the flux into convection and pressure fluxes. The rest of this review briefly outlines the technical evolution of AUSM and more details can be found in the cited references. Keywords: Computational fluid dynamics methods, hyperbolic systems, advection upstream splitting method, conservation laws, upwinding, CFD

Really big data: Processing and analysis of large datasets

USDA-ARS?s Scientific Manuscript database

Modern animal breeding datasets are large and getting larger, due in part to the recent availability of DNA data for many animals. Computational methods for efficiently storing and analyzing those data are under development. The amount of storage space required for such datasets is increasing rapidl...

Development of computer informational system of diagnostics integrated optical materials, elements, and devices

NASA Astrophysics Data System (ADS)

Volosovitch, Anatoly E.; Konopaltseva, Lyudmila I.

1995-11-01

Well-known methods of optical diagnostics, database for their storage, as well as expert system (ES) for their development are analyzed. A computer informational system is developed, which is based on a hybrid ES built on modern DBMS. As an example, the structural and constructive circuits of the hybrid integrated-optical devices based on laser diodes, diffusion waveguides, geodetic lenses, package-free linear photodiode arrays, etc. are presented. The features of methods and test results as well as the advanced directions of works related to the hybrid integrated-optical devices in the field of metrology are discussed.

Plane-Wave DFT Methods for Chemistry

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

Bylaska, Eric J.

A detailed description of modern plane-wave DFT methods and software (contained in the NWChem package) are described that allow for both geometry optimization and ab initio molecular dynamics simulations. Significant emphasis is placed on aspects of these methods that are of interest to computational chemists and useful for simulating chemistry, including techniques for calculating charged systems, exact exchange (i.e. hybrid DFT methods), and highly efficient AIMD/MM methods. Sample applications on the structure of the goethite+water interface and the hydrolysis of nitroaromatic molecules are described.

Propagation of Computational Uncertainty Using the Modern Design of Experiments

NASA Technical Reports Server (NTRS)

DeLoach, Richard

2007-01-01

This paper describes the use of formally designed experiments to aid in the error analysis of a computational experiment. A method is described by which the underlying code is approximated with relatively low-order polynomial graduating functions represented by truncated Taylor series approximations to the true underlying response function. A resource-minimal approach is outlined by which such graduating functions can be estimated from a minimum number of case runs of the underlying computational code. Certain practical considerations are discussed, including ways and means of coping with high-order response functions. The distributional properties of prediction residuals are presented and discussed. A practical method is presented for quantifying that component of the prediction uncertainty of a computational code that can be attributed to imperfect knowledge of independent variable levels. This method is illustrated with a recent assessment of uncertainty in computational estimates of Space Shuttle thermal and structural reentry loads attributable to ice and foam debris impact on ascent.

Modernization and optimization of a legacy open-source CFD code for high-performance computing architectures

DOE PAGES

Gel, Aytekin; Hu, Jonathan; Ould-Ahmed-Vall, ElMoustapha; ...

2017-03-20

Legacy codes remain a crucial element of today's simulation-based engineering ecosystem due to the extensive validation process and investment in such software. The rapid evolution of high-performance computing architectures necessitates the modernization of these codes. One approach to modernization is a complete overhaul of the code. However, this could require extensive investments, such as rewriting in modern languages, new data constructs, etc., which will necessitate systematic verification and validation to re-establish the credibility of the computational models. The current study advocates using a more incremental approach and is a culmination of several modernization efforts of the legacy code MFIX, whichmore » is an open-source computational fluid dynamics code that has evolved over several decades, widely used in multiphase flows and still being developed by the National Energy Technology Laboratory. Two different modernization approaches,‘bottom-up’ and ‘top-down’, are illustrated. Here, preliminary results show up to 8.5x improvement at the selected kernel level with the first approach, and up to 50% improvement in total simulated time with the latter were achieved for the demonstration cases and target HPC systems employed.« less

Modernization and optimization of a legacy open-source CFD code for high-performance computing architectures

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

Gel, Aytekin; Hu, Jonathan; Ould-Ahmed-Vall, ElMoustapha

Legacy codes remain a crucial element of today's simulation-based engineering ecosystem due to the extensive validation process and investment in such software. The rapid evolution of high-performance computing architectures necessitates the modernization of these codes. One approach to modernization is a complete overhaul of the code. However, this could require extensive investments, such as rewriting in modern languages, new data constructs, etc., which will necessitate systematic verification and validation to re-establish the credibility of the computational models. The current study advocates using a more incremental approach and is a culmination of several modernization efforts of the legacy code MFIX, whichmore » is an open-source computational fluid dynamics code that has evolved over several decades, widely used in multiphase flows and still being developed by the National Energy Technology Laboratory. Two different modernization approaches,‘bottom-up’ and ‘top-down’, are illustrated. Here, preliminary results show up to 8.5x improvement at the selected kernel level with the first approach, and up to 50% improvement in total simulated time with the latter were achieved for the demonstration cases and target HPC systems employed.« less

Rethinking Technology-Enhanced Physics Teacher Education: From Theory to Practice

ERIC Educational Resources Information Center

Milner-Bolotin, Marina

2016-01-01

This article discusses how modern technology, such as electronic response systems, PeerWise system, data collection and analysis tools, computer simulations, and modeling software can be used in physics methods courses to promote teacher-candidates' professional competencies and their positive attitudes about mathematics and science education. We…

Research on Mobile Learning Activities Applying Tablets

ERIC Educational Resources Information Center

Kurilovas, Eugenijus; Juskeviciene, Anita; Bireniene, Virginija

2015-01-01

The paper aims to present current research on mobile learning activities in Lithuania while implementing flagship EU-funded CCL project on application of tablet computers in education. In the paper, the quality of modern mobile learning activities based on learning personalisation, problem solving, collaboration, and flipped class methods is…

Incorporating modern neuroscience findings to improve brain-computer interfaces: tracking auditory attention.

PubMed

Wronkiewicz, Mark; Larson, Eric; Lee, Adrian Kc

2016-10-01

Brain-computer interface (BCI) technology allows users to generate actions based solely on their brain signals. However, current non-invasive BCIs generally classify brain activity recorded from surface electroencephalography (EEG) electrodes, which can hinder the application of findings from modern neuroscience research. In this study, we use source imaging-a neuroimaging technique that projects EEG signals onto the surface of the brain-in a BCI classification framework. This allowed us to incorporate prior research from functional neuroimaging to target activity from a cortical region involved in auditory attention. Classifiers trained to detect attention switches performed better with source imaging projections than with EEG sensor signals. Within source imaging, including subject-specific anatomical MRI information (instead of using a generic head model) further improved classification performance. This source-based strategy also reduced accuracy variability across three dimensionality reduction techniques-a major design choice in most BCIs. Our work shows that source imaging provides clear quantitative and qualitative advantages to BCIs and highlights the value of incorporating modern neuroscience knowledge and methods into BCI systems.

Development Of A Numerical Tow Tank With Wave Generation To Supplement Experimental Efforts

DTIC Science & Technology

2017-12-01

vehicles CAD computer aided design CFD computational fluid dynamics FVM finite volume method IO information operations ISR intelligence, surveillance, and...deliver a product that I am truly proud of. xv THIS PAGE INTENTIONALLY LEFT BLANK xvi CHAPTER 1: Introduction 1.1 Importance of Tow Tank Testing Modern...wedge installation. 1 In 2016, NPS student Ensign Ryan Tran adapted an existing vertical plunging wedge wave maker design used at the U.S. Naval

Efficient Multicriteria Protein Structure Comparison on Modern Processor Architectures

PubMed Central

Manolakos, Elias S.

2015-01-01

Fast increasing computational demand for all-to-all protein structures comparison (PSC) is a result of three confounding factors: rapidly expanding structural proteomics databases, high computational complexity of pairwise protein comparison algorithms, and the trend in the domain towards using multiple criteria for protein structures comparison (MCPSC) and combining results. We have developed a software framework that exploits many-core and multicore CPUs to implement efficient parallel MCPSC in modern processors based on three popular PSC methods, namely, TMalign, CE, and USM. We evaluate and compare the performance and efficiency of the two parallel MCPSC implementations using Intel's experimental many-core Single-Chip Cloud Computer (SCC) as well as Intel's Core i7 multicore processor. We show that the 48-core SCC is more efficient than the latest generation Core i7, achieving a speedup factor of 42 (efficiency of 0.9), making many-core processors an exciting emerging technology for large-scale structural proteomics. We compare and contrast the performance of the two processors on several datasets and also show that MCPSC outperforms its component methods in grouping related domains, achieving a high F-measure of 0.91 on the benchmark CK34 dataset. The software implementation for protein structure comparison using the three methods and combined MCPSC, along with the developed underlying rckskel algorithmic skeletons library, is available via GitHub. PMID:26605332

Efficient Multicriteria Protein Structure Comparison on Modern Processor Architectures.

PubMed

Sharma, Anuj; Manolakos, Elias S

2015-01-01

Fast increasing computational demand for all-to-all protein structures comparison (PSC) is a result of three confounding factors: rapidly expanding structural proteomics databases, high computational complexity of pairwise protein comparison algorithms, and the trend in the domain towards using multiple criteria for protein structures comparison (MCPSC) and combining results. We have developed a software framework that exploits many-core and multicore CPUs to implement efficient parallel MCPSC in modern processors based on three popular PSC methods, namely, TMalign, CE, and USM. We evaluate and compare the performance and efficiency of the two parallel MCPSC implementations using Intel's experimental many-core Single-Chip Cloud Computer (SCC) as well as Intel's Core i7 multicore processor. We show that the 48-core SCC is more efficient than the latest generation Core i7, achieving a speedup factor of 42 (efficiency of 0.9), making many-core processors an exciting emerging technology for large-scale structural proteomics. We compare and contrast the performance of the two processors on several datasets and also show that MCPSC outperforms its component methods in grouping related domains, achieving a high F-measure of 0.91 on the benchmark CK34 dataset. The software implementation for protein structure comparison using the three methods and combined MCPSC, along with the developed underlying rckskel algorithmic skeletons library, is available via GitHub.

Linear solver performance in elastoplastic problem solution on GPU cluster

NASA Astrophysics Data System (ADS)

Khalevitsky, Yu. V.; Konovalov, A. V.; Burmasheva, N. V.; Partin, A. S.

2017-12-01

Applying the finite element method to severe plastic deformation problems involves solving linear equation systems. While the solution procedure is relatively hard to parallelize and computationally intensive by itself, a long series of large scale systems need to be solved for each problem. When dealing with fine computational meshes, such as in the simulations of three-dimensional metal matrix composite microvolume deformation, tens and hundreds of hours may be needed to complete the whole solution procedure, even using modern supercomputers. In general, one of the preconditioned Krylov subspace methods is used in a linear solver for such problems. The method convergence highly depends on the operator spectrum of a problem stiffness matrix. In order to choose the appropriate method, a series of computational experiments is used. Different methods may be preferable for different computational systems for the same problem. In this paper we present experimental data obtained by solving linear equation systems from an elastoplastic problem on a GPU cluster. The data can be used to substantiate the choice of the appropriate method for a linear solver to use in severe plastic deformation simulations.

Adjoint-Based Aerodynamic Design of Complex Aerospace Configurations

NASA Technical Reports Server (NTRS)

Nielsen, Eric J.

2016-01-01

An overview of twenty years of adjoint-based aerodynamic design research at NASA Langley Research Center is presented. Adjoint-based algorithms provide a powerful tool for efficient sensitivity analysis of complex large-scale computational fluid dynamics (CFD) simulations. Unlike alternative approaches for which computational expense generally scales with the number of design parameters, adjoint techniques yield sensitivity derivatives of a simulation output with respect to all input parameters at the cost of a single additional simulation. With modern large-scale CFD applications often requiring millions of compute hours for a single analysis, the efficiency afforded by adjoint methods is critical in realizing a computationally tractable design optimization capability for such applications.

Preparing Students for Careers in Science and Industry with Computational Physics

NASA Astrophysics Data System (ADS)

Florinski, V. A.

2011-12-01

Funded by NSF CAREER grant, the University of Alabama (UAH) in Huntsville has launched a new graduate program in Computational Physics. It is universally accepted that today's physics is done on a computer. The program blends the boundary between physics and computer science by teaching student modern, practical techniques of solving difficult physics problems using diverse computational platforms. Currently consisting of two courses first offered in the Fall of 2011, the program will eventually include 5 courses covering methods for fluid dynamics, particle transport via stochastic methods, and hybrid and PIC plasma simulations. The UAH's unique location allows courses to be shaped through discussions with faculty, NASA/MSFC researchers and local R&D business representatives, i.e., potential employers of the program's graduates. Students currently participating in the program have all begun their research careers in space and plasma physics; many are presenting their research at this meeting.

Tutorial: Parallel Computing of Simulation Models for Risk Analysis.

PubMed

Reilly, Allison C; Staid, Andrea; Gao, Michael; Guikema, Seth D

2016-10-01

Simulation models are widely used in risk analysis to study the effects of uncertainties on outcomes of interest in complex problems. Often, these models are computationally complex and time consuming to run. This latter point may be at odds with time-sensitive evaluations or may limit the number of parameters that are considered. In this article, we give an introductory tutorial focused on parallelizing simulation code to better leverage modern computing hardware, enabling risk analysts to better utilize simulation-based methods for quantifying uncertainty in practice. This article is aimed primarily at risk analysts who use simulation methods but do not yet utilize parallelization to decrease the computational burden of these models. The discussion is focused on conceptual aspects of embarrassingly parallel computer code and software considerations. Two complementary examples are shown using the languages MATLAB and R. A brief discussion of hardware considerations is located in the Appendix. © 2016 Society for Risk Analysis.

From transistor to trapped-ion computers for quantum chemistry.

PubMed

Yung, M-H; Casanova, J; Mezzacapo, A; McClean, J; Lamata, L; Aspuru-Guzik, A; Solano, E

2014-01-07

Over the last few decades, quantum chemistry has progressed through the development of computational methods based on modern digital computers. However, these methods can hardly fulfill the exponentially-growing resource requirements when applied to large quantum systems. As pointed out by Feynman, this restriction is intrinsic to all computational models based on classical physics. Recently, the rapid advancement of trapped-ion technologies has opened new possibilities for quantum control and quantum simulations. Here, we present an efficient toolkit that exploits both the internal and motional degrees of freedom of trapped ions for solving problems in quantum chemistry, including molecular electronic structure, molecular dynamics, and vibronic coupling. We focus on applications that go beyond the capacity of classical computers, but may be realizable on state-of-the-art trapped-ion systems. These results allow us to envision a new paradigm of quantum chemistry that shifts from the current transistor to a near-future trapped-ion-based technology.

From transistor to trapped-ion computers for quantum chemistry

PubMed Central

Yung, M.-H.; Casanova, J.; Mezzacapo, A.; McClean, J.; Lamata, L.; Aspuru-Guzik, A.; Solano, E.

2014-01-01

Over the last few decades, quantum chemistry has progressed through the development of computational methods based on modern digital computers. However, these methods can hardly fulfill the exponentially-growing resource requirements when applied to large quantum systems. As pointed out by Feynman, this restriction is intrinsic to all computational models based on classical physics. Recently, the rapid advancement of trapped-ion technologies has opened new possibilities for quantum control and quantum simulations. Here, we present an efficient toolkit that exploits both the internal and motional degrees of freedom of trapped ions for solving problems in quantum chemistry, including molecular electronic structure, molecular dynamics, and vibronic coupling. We focus on applications that go beyond the capacity of classical computers, but may be realizable on state-of-the-art trapped-ion systems. These results allow us to envision a new paradigm of quantum chemistry that shifts from the current transistor to a near-future trapped-ion-based technology. PMID:24395054

The exact analysis of contingency tables in medical research.

PubMed

Mehta, C R

1994-01-01

A unified view of exact nonparametric inference, with special emphasis on data in the form of contingency tables, is presented. While the concept of exact tests has been in existence since the early work of RA Fisher, the computational complexity involved in actually executing such tests precluded their use until fairly recently. Modern algorithmic advances, combined with the easy availability of inexpensive computing power, has renewed interest in exact methods of inference, especially because they remain valid in the face of small, sparse, imbalanced, or heavily tied data. After defining exact p-values in terms of the permutation principle, we reference algorithms for computing them. Several data sets are then analysed by both exact and asymptotic methods. We end with a discussion of the available software.

LASER APPLICATIONS AND OTHER TOPICS IN QUANTUM ELECTRONICS: Methods of computational physics in the problem of mathematical interpretation of laser investigations

NASA Astrophysics Data System (ADS)

Brodyn, M. S.; Starkov, V. N.

2007-07-01

It is shown that in laser experiments performed by using an 'imperfect' setup when instrumental distortions are considerable, sufficiently accurate results can be obtained by the modern methods of computational physics. It is found for the first time that a new instrumental function — the 'cap' function — a 'sister' of a Gaussian curve proved to be demanded namely in laser experiments. A new mathematical model of a measurement path and carefully performed computational experiment show that a light beam transmitted through a mesoporous film has actually a narrower intensity distribution than the detected beam, and the amplitude of the real intensity distribution is twice as large as that for measured intensity distributions.

Re-Computation of Numerical Results Contained in NACA Report No. 496

NASA Technical Reports Server (NTRS)

Perry, Boyd, III

2015-01-01

An extensive examination of NACA Report No. 496 (NACA 496), "General Theory of Aerodynamic Instability and the Mechanism of Flutter," by Theodore Theodorsen, is described. The examination included checking equations and solution methods and re-computing interim quantities and all numerical examples in NACA 496. The checks revealed that NACA 496 contains computational shortcuts (time- and effort-saving devices for engineers of the time) and clever artifices (employed in its solution methods), but, unfortunately, also contains numerous tripping points (aspects of NACA 496 that have the potential to cause confusion) and some errors. The re-computations were performed employing the methods and procedures described in NACA 496, but using modern computational tools. With some exceptions, the magnitudes and trends of the original results were in fair-to-very-good agreement with the re-computed results. The exceptions included what are speculated to be computational errors in the original in some instances and transcription errors in the original in others. Independent flutter calculations were performed and, in all cases, including those where the original and re-computed results differed significantly, were in excellent agreement with the re-computed results. Appendix A contains NACA 496; Appendix B contains a Matlab(Reistered) program that performs the re-computation of results; Appendix C presents three alternate solution methods, with examples, for the two-degree-of-freedom solution method of NACA 496; Appendix D contains the three-degree-of-freedom solution method (outlined in NACA 496 but never implemented), with examples.

[Combine fats products: methodic opportunities of it identification].

PubMed

Viktorova, E V; Kulakova, S N; Mikhaĭlov, N A

2006-01-01

At present time very topical problem is falsification of milk fat. The number of methods was considered to detection of milk fat authention and possibilities his difference from combined fat products. The analysis of modern approaches to valuation of milk fat authention has showed that the main method for detection of fat nature is gas chromatography analysis. The computer method of express identification of fat products is proposed for quick getting of information about accessory of examine fat to nature milk or combined fat product.

DNS of Flow in a Low-Pressure Turbine Cascade Using a Discontinuous-Galerkin Spectral-Element Method

NASA Technical Reports Server (NTRS)

Garai, Anirban; Diosady, Laslo Tibor; Murman, Scott; Madavan, Nateri

2015-01-01

A new computational capability under development for accurate and efficient high-fidelity direct numerical simulation (DNS) and large eddy simulation (LES) of turbomachinery is described. This capability is based on an entropy-stable Discontinuous-Galerkin spectral-element approach that extends to arbitrarily high orders of spatial and temporal accuracy and is implemented in a computationally efficient manner on a modern high performance computer architecture. A validation study using this method to perform DNS of flow in a low-pressure turbine airfoil cascade are presented. Preliminary results indicate that the method captures the main features of the flow. Discrepancies between the predicted results and the experiments are likely due to the effects of freestream turbulence not being included in the simulation and will be addressed in the final paper.

The computation of three-dimensional flows using unstructured grids

NASA Technical Reports Server (NTRS)

Morgan, K.; Peraire, J.; Peiro, J.; Hassan, O.

1991-01-01

A general method is described for automatically discretizing, into unstructured assemblies of tetrahedra, the three-dimensional solution domains of complex shape which are of interest in practical computational aerodynamics. An algorithm for the solution of the compressible Euler equations which can be implemented on such general unstructured tetrahedral grids is described. This is an explicit cell-vertex scheme which follows a general Taylor-Galerkin philosophy. The approach is employed to compute a transonic inviscid flow over a standard wing and the results are shown to compare favorably with experimental observations. As a more practical demonstration, the method is then applied to the analysis of inviscid flow over a complete modern fighter configuration. The effect of using mesh adaptivity is illustrated when the method is applied to the solution of high speed flow in an engine inlet.

Artificial intelligence in robot control systems

NASA Astrophysics Data System (ADS)

Korikov, A.

2018-05-01

This paper analyzes modern concepts of artificial intelligence and known definitions of the term "level of intelligence". In robotics artificial intelligence system is defined as a system that works intelligently and optimally. The author proposes to use optimization methods for the design of intelligent robot control systems. The article provides the formalization of problems of robotic control system design, as a class of extremum problems with constraints. Solving these problems is rather complicated due to the high dimensionality, polymodality and a priori uncertainty. Decomposition of the extremum problems according to the method, suggested by the author, allows reducing them into a sequence of simpler problems, that can be successfully solved by modern computing technology. Several possible approaches to solving such problems are considered in the article.

[Advancements of computer chemistry in separation of Chinese medicine].

PubMed

Li, Lingjuan; Hong, Hong; Xu, Xuesong; Guo, Liwei

2011-12-01

Separating technique of Chinese medicine is not only a key technique in the field of Chinese medicine' s research and development, but also a significant step in the modernization of Chinese medicinal preparation. Computer chemistry can build model and look for the regulations from Chinese medicine system which is full of complicated data. This paper analyzed the applicability, key technology, basic mode and common algorithm of computer chemistry applied in the separation of Chinese medicine, introduced the mathematic mode and the setting methods of Extraction kinetics, investigated several problems which based on traditional Chinese medicine membrane procession, and forecasted the application prospect.

Computers and neurosurgery.

PubMed

Shaikhouni, Ammar; Elder, J Bradley

2012-11-01

At the turn of the twentieth century, the only computational device used in neurosurgical procedures was the brain of the surgeon. Today, most neurosurgical procedures rely at least in part on the use of a computer to help perform surgeries accurately and safely. The techniques that revolutionized neurosurgery were mostly developed after the 1950s. Just before that era, the transistor was invented in the late 1940s, and the integrated circuit was invented in the late 1950s. During this time, the first automated, programmable computational machines were introduced. The rapid progress in the field of neurosurgery not only occurred hand in hand with the development of modern computers, but one also can state that modern neurosurgery would not exist without computers. The focus of this article is the impact modern computers have had on the practice of neurosurgery. Neuroimaging, neuronavigation, and neuromodulation are examples of tools in the armamentarium of the modern neurosurgeon that owe each step in their evolution to progress made in computer technology. Advances in computer technology central to innovations in these fields are highlighted, with particular attention to neuroimaging. Developments over the last 10 years in areas of sensors and robotics that promise to transform the practice of neurosurgery further are discussed. Potential impacts of advances in computers related to neurosurgery in developing countries and underserved regions are also discussed. As this article illustrates, the computer, with its underlying and related technologies, is central to advances in neurosurgery over the last half century. Copyright © 2012 Elsevier Inc. All rights reserved.

Technology, Gender Attitude, and Software, among Middle School Math Instructors

ERIC Educational Resources Information Center

Okeke, Godwin N.

2014-01-01

Technology has gained a firm stronghold in society as well as modern classroom. Students are assumed to have a natural aptitude for computers. Over the past decades, educational websites have appeared to be "interactive" and "to make learning fun". This study employed quantitative method of research using 8th grade instructors…

Development of an irrigation scheduling software based on model predicted crop water stress

USDA-ARS?s Scientific Manuscript database

Modern irrigation scheduling methods are generally based on sensor-monitored soil moisture regimes rather than crop water stress which is difficult to measure in real-time, but can be computed using agricultural system models. In this study, an irrigation scheduling software based on RZWQM2 model pr...

Modern gyrokinetic particle-in-cell simulation of fusion plasmas on top supercomputers

DOE PAGES

Wang, Bei; Ethier, Stephane; Tang, William; ...

2017-06-29

The Gyrokinetic Toroidal Code at Princeton (GTC-P) is a highly scalable and portable particle-in-cell (PIC) code. It solves the 5D Vlasov-Poisson equation featuring efficient utilization of modern parallel computer architectures at the petascale and beyond. Motivated by the goal of developing a modern code capable of dealing with the physics challenge of increasing problem size with sufficient resolution, new thread-level optimizations have been introduced as well as a key additional domain decomposition. GTC-P's multiple levels of parallelism, including inter-node 2D domain decomposition and particle decomposition, as well as intra-node shared memory partition and vectorization have enabled pushing the scalability ofmore » the PIC method to extreme computational scales. In this paper, we describe the methods developed to build a highly parallelized PIC code across a broad range of supercomputer designs. This particularly includes implementations on heterogeneous systems using NVIDIA GPU accelerators and Intel Xeon Phi (MIC) co-processors and performance comparisons with state-of-the-art homogeneous HPC systems such as Blue Gene/Q. New discovery science capabilities in the magnetic fusion energy application domain are enabled, including investigations of Ion-Temperature-Gradient (ITG) driven turbulence simulations with unprecedented spatial resolution and long temporal duration. Performance studies with realistic fusion experimental parameters are carried out on multiple supercomputing systems spanning a wide range of cache capacities, cache-sharing configurations, memory bandwidth, interconnects and network topologies. These performance comparisons using a realistic discovery-science-capable domain application code provide valuable insights on optimization techniques across one of the broadest sets of current high-end computing platforms worldwide.« less

Modern gyrokinetic particle-in-cell simulation of fusion plasmas on top supercomputers

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

Wang, Bei; Ethier, Stephane; Tang, William

The Gyrokinetic Toroidal Code at Princeton (GTC-P) is a highly scalable and portable particle-in-cell (PIC) code. It solves the 5D Vlasov-Poisson equation featuring efficient utilization of modern parallel computer architectures at the petascale and beyond. Motivated by the goal of developing a modern code capable of dealing with the physics challenge of increasing problem size with sufficient resolution, new thread-level optimizations have been introduced as well as a key additional domain decomposition. GTC-P's multiple levels of parallelism, including inter-node 2D domain decomposition and particle decomposition, as well as intra-node shared memory partition and vectorization have enabled pushing the scalability ofmore » the PIC method to extreme computational scales. In this paper, we describe the methods developed to build a highly parallelized PIC code across a broad range of supercomputer designs. This particularly includes implementations on heterogeneous systems using NVIDIA GPU accelerators and Intel Xeon Phi (MIC) co-processors and performance comparisons with state-of-the-art homogeneous HPC systems such as Blue Gene/Q. New discovery science capabilities in the magnetic fusion energy application domain are enabled, including investigations of Ion-Temperature-Gradient (ITG) driven turbulence simulations with unprecedented spatial resolution and long temporal duration. Performance studies with realistic fusion experimental parameters are carried out on multiple supercomputing systems spanning a wide range of cache capacities, cache-sharing configurations, memory bandwidth, interconnects and network topologies. These performance comparisons using a realistic discovery-science-capable domain application code provide valuable insights on optimization techniques across one of the broadest sets of current high-end computing platforms worldwide.« less

The potential of computer software that supports the diagnosis of workplace ergonomics in shaping health awareness

NASA Astrophysics Data System (ADS)

Lubkowska, Wioletta

2017-11-01

The growing prevalence of health problems among computer workstation workers has become one of the biggest threats to the overall health of our population. That is why many modern scientists are looking for ways and methods to prevent and reverse these negative trends. The purpose of this article is to present the potential for practical use of computer programs to design an ergonomic workplace and postural loads. These programs help configure the computer workstation correctly and adopt the correct body position during work, which reduces the risk of health problems. Creating visually attractive programs helps encourage and inspire those who work with a computer to introduce ergonomic solutions and reject the sedentary lifestyle.

Quantum chemical methods for the investigation of photoinitiated processes in biological systems: theory and applications.

PubMed

Dreuw, Andreas

2006-11-13

With the advent of modern computers and advances in the development of efficient quantum chemical computer codes, the meaningful computation of large molecular systems at a quantum mechanical level became feasible. Recent experimental effort to understand photoinitiated processes in biological systems, for instance photosynthesis or vision, at a molecular level also triggered theoretical investigations in this field. In this Minireview, standard quantum chemical methods are presented that are applicable and recently used for the calculation of excited states of photoinitiated processes in biological molecular systems. These methods comprise configuration interaction singles, the complete active space self-consistent field method, and time-dependent density functional theory and its variants. Semiempirical approaches are also covered. Their basic theoretical concepts and mathematical equations are briefly outlined, and their properties and limitations are discussed. Recent successful applications of the methods to photoinitiated processes in biological systems are described and theoretical tools for the analysis of excited states are presented.

The appropriateness of density-functional theory for the calculation of molecular electronics properties.

PubMed

Reimers, Jeffrey R; Cai, Zheng-Li; Bilić, Ante; Hush, Noel S

2003-12-01

As molecular electronics advances, efficient and reliable computation procedures are required for the simulation of the atomic structures of actual devices, as well as for the prediction of their electronic properties. Density-functional theory (DFT) has had widespread success throughout chemistry and solid-state physics, and it offers the possibility of fulfilling these roles. In its modern form it is an empirically parameterized approach that cannot be extended toward exact solutions in a prescribed way, ab initio. Thus, it is essential that the weaknesses of the method be identified and likely shortcomings anticipated in advance. We consider four known systematic failures of modern DFT: dispersion, charge transfer, extended pi conjugation, and bond cleavage. Their ramifications for molecular electronics applications are outlined and we suggest that great care is required when using modern DFT to partition charge flow across electrode-molecule junctions, screen applied electric fields, position molecular orbitals with respect to electrode Fermi energies, and in evaluating the distance dependence of through-molecule conductivity. The causes of these difficulties are traced to errors inherent in the types of density functionals in common use, associated with their inability to treat very long-range electron correlation effects. Heuristic enhancements of modern DFT designed to eliminate individual problems are outlined, as are three new schemes that each represent significant departures from modern DFT implementations designed to provide a priori improvements in at least one and possible all problem areas. Finally, fully semiempirical schemes based on both Hartree-Fock and Kohn-Sham theory are described that, in the short term, offer the means to avoid the inherent problems of modern DFT and, in the long term, offer competitive accuracy at dramatically reduced computational costs.

Accelerating EPI distortion correction by utilizing a modern GPU-based parallel computation.

PubMed

Yang, Yao-Hao; Huang, Teng-Yi; Wang, Fu-Nien; Chuang, Tzu-Chao; Chen, Nan-Kuei

2013-04-01

The combination of phase demodulation and field mapping is a practical method to correct echo planar imaging (EPI) geometric distortion. However, since phase dispersion accumulates in each phase-encoding step, the calculation complexity of phase modulation is Ny-fold higher than conventional image reconstructions. Thus, correcting EPI images via phase demodulation is generally a time-consuming task. Parallel computing by employing general-purpose calculations on graphics processing units (GPU) can accelerate scientific computing if the algorithm is parallelized. This study proposes a method that incorporates the GPU-based technique into phase demodulation calculations to reduce computation time. The proposed parallel algorithm was applied to a PROPELLER-EPI diffusion tensor data set. The GPU-based phase demodulation method reduced the EPI distortion correctly, and accelerated the computation. The total reconstruction time of the 16-slice PROPELLER-EPI diffusion tensor images with matrix size of 128 × 128 was reduced from 1,754 seconds to 101 seconds by utilizing the parallelized 4-GPU program. GPU computing is a promising method to accelerate EPI geometric correction. The resulting reduction in computation time of phase demodulation should accelerate postprocessing for studies performed with EPI, and should effectuate the PROPELLER-EPI technique for clinical practice. Copyright © 2011 by the American Society of Neuroimaging.

The role of modern diagnostic imaging in diagnosing and differentiating kidney diseases in children.

PubMed

Maliborski, Artur; Zegadło, Arkadiusz; Placzyńska, Małgorzata; Sopińska, Małgorzata; Lichosik, Marianna; Jobs, Katarzyna

2018-01-01

Urinary tract diseases are in the group of the most commonly diagnosed medical conditions in pediatric patients. Many diseases with different etiologies are accompanied by pain, fever, hematuria, or urinary tract dysfunction. Those most common ones in children are urinary tract infections and congenital malformation. They can also represent tumors or changes caused by systemic diseases. Clinical tests and even more often additional imaging studies are required to make a proper diagnosis of urinary tract diseases. Just a few decades ago urography, cystography or voiding cystourethrography were the main methods in diagnostic imaging of the urinary tract. Today's imaging methods supported by digital radiographic and fluoroscopy systems, high sensitivity detectors with quantum detection, advanced algorithms eliminating motion artifacts, modern medical imaging monitors with a resolution of three or even eight megapixels significantly differ from conventional radiographic methods. The methods that are currently usually performed are: computed tomography, magnetic resonance imaging, isotopic methods and ultrasonography using elastography and new solutions in Doppler imaging. Modern techniques are currently focused on reducing radiation exposure with better imaging capabilities. The development of these techniques became an essential diagnostic aid in nephrological and urological practice. The aim of this paper is to present the latest solutions that are currently used in the diagnostic imaging of urinary tract diseases.

Imaging in anatomy: a comparison of imaging techniques in embalmed human cadavers

PubMed Central

2013-01-01

Background A large variety of imaging techniques is an integral part of modern medicine. Introducing radiological imaging techniques into the dissection course serves as a basis for improved learning of anatomy and multidisciplinary learning in pre-clinical medical education. Methods Four different imaging techniques (ultrasound, radiography, computed tomography, and magnetic resonance imaging) were performed in embalmed human body donors to analyse possibilities and limitations of the respective techniques in this peculiar setting. Results The quality of ultrasound and radiography images was poor, images of computed tomography and magnetic resonance imaging were of good quality. Conclusion Computed tomography and magnetic resonance imaging have a superior image quality in comparison to ultrasound and radiography and offer suitable methods for imaging embalmed human cadavers as a valuable addition to the dissection course. PMID:24156510

Tug-of-war lacunarity—A novel approach for estimating lacunarity

NASA Astrophysics Data System (ADS)

Reiss, Martin A.; Lemmerer, Birgit; Hanslmeier, Arnold; Ahammer, Helmut

2016-11-01

Modern instrumentation provides us with massive repositories of digital images that will likely only increase in the future. Therefore, it has become increasingly important to automatize the analysis of digital images, e.g., with methods from pattern recognition. These methods aim to quantify the visual appearance of captured textures with quantitative measures. As such, lacunarity is a useful multi-scale measure of texture's heterogeneity but demands high computational efforts. Here we investigate a novel approach based on the tug-of-war algorithm, which estimates lacunarity in a single pass over the image. We computed lacunarity for theoretical and real world sample images, and found that the investigated approach is able to estimate lacunarity with low uncertainties. We conclude that the proposed method combines low computational efforts with high accuracy, and that its application may have utility in the analysis of high-resolution images.

Methods for simulation-based analysis of fluid-structure interaction.

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

Barone, Matthew Franklin; Payne, Jeffrey L.

2005-10-01

Methods for analysis of fluid-structure interaction using high fidelity simulations are critically reviewed. First, a literature review of modern numerical techniques for simulation of aeroelastic phenomena is presented. The review focuses on methods contained within the arbitrary Lagrangian-Eulerian (ALE) framework for coupling computational fluid dynamics codes to computational structural mechanics codes. The review treats mesh movement algorithms, the role of the geometric conservation law, time advancement schemes, wetted surface interface strategies, and some representative applications. The complexity and computational expense of coupled Navier-Stokes/structural dynamics simulations points to the need for reduced order modeling to facilitate parametric analysis. The proper orthogonalmore » decomposition (POD)/Galerkin projection approach for building a reduced order model (ROM) is presented, along with ideas for extension of the methodology to allow construction of ROMs based on data generated from ALE simulations.« less

[The application of the computer technologies for the mathematical simulation of the ethmoidal labyrinth].

PubMed

Markeeva, M V; Mareev, O V; Nikolenko, V N; Mareev, G O; Danilova, T V; Fadeeva, E A; Fedorov, R V

The objective of the present work was to study the relationship between the dimensions of the ethmoidal labyrinth and the skull in the subjects differing in the nose shape by means of the factorial and correlation analysis with the application of the modern computer-assisted methods for the three-dimensional reconstruction of the skull. We developed an original method for computed craniometry with the use the original program that made it possible to determine the standard intravital craniometrics characteristics of the human skull with a high degree of accuracy based on the results of analysis of 200 computed tomograms of the head. It was shown that the length of the inferior turbinated bones and the posterior edge of the orbital plate is of special relevance for practically all parameters of the ethmoidal labyrinth. Also, the width of the choanae positively relates to the height of the ethmoidal labyrinth.

Integrated Life-Cycle Framework for Maintenance, Monitoring and Reliability of Naval Ship Structures

DTIC Science & Technology

2012-08-15

number of times, a fast and accurate method for analyzing the ship hull is required. In order to obtain this required computational speed and accuracy...Naval Engineers Fleet Maintenance & Modernization Symposium (FMMS 2011) [8] and the Eleventh International Conference on Fast Sea Transportation ( FAST ...probabilistic strength of the ship hull. First, a novel deterministic method for the fast and accurate calculation of the strength of the ship hull is

Determination of Static and Dynamic Stability Derivatives Using Beggar

DTIC Science & Technology

2008-03-01

applies a symmetric Gauss - Seidel method , which solves the generic equation [A]x = b for x by dividing [A] into [A] = ([D][L])[U ] (2.68) 37 where D is...oscillations. Convergence studies on each of these parameters were performed to ensure both convergence and solution independence. Roll stability derivatives...aerodynamic stability parame- ters made dynamic solutions more difficult to compute and less reliable, but modern methods and resources are making this process

A Web-based interface to calculate phonotactic probability for words and nonwords in Modern Standard Arabic.

PubMed

Aljasser, Faisal; Vitevitch, Michael S

2018-02-01

A number of databases (Storkel Behavior Research Methods, 45, 1159-1167, 2013) and online calculators (Vitevitch & Luce Behavior Research Methods, Instruments, and Computers, 36, 481-487, 2004) have been developed to provide statistical information about various aspects of language, and these have proven to be invaluable assets to researchers, clinicians, and instructors in the language sciences. The number of such resources for English is quite large and continues to grow, whereas the number of such resources for other languages is much smaller. This article describes the development of a Web-based interface to calculate phonotactic probability in Modern Standard Arabic (MSA). A full description of how the calculator can be used is provided. It can be freely accessed at http://phonotactic.drupal.ku.edu/ .

Technical Evaluation Report for Symposium AVT-147: Computational Uncertainty in Military Vehicle Design

NASA Technical Reports Server (NTRS)

Radespiel, Rolf; Hemsch, Michael J.

2007-01-01

The complexity of modern military systems, as well as the cost and difficulty associated with experimentally verifying system and subsystem design makes the use of high-fidelity based simulation a future alternative for design and development. The predictive ability of such simulations such as computational fluid dynamics (CFD) and computational structural mechanics (CSM) have matured significantly. However, for numerical simulations to be used with confidence in design and development, quantitative measures of uncertainty must be available. The AVT 147 Symposium has been established to compile state-of-the art methods of assessing computational uncertainty, to identify future research and development needs associated with these methods, and to present examples of how these needs are being addressed and how the methods are being applied. Papers were solicited that address uncertainty estimation associated with high fidelity, physics-based simulations. The solicitation included papers that identify sources of error and uncertainty in numerical simulation from either the industry perspective or from the disciplinary or cross-disciplinary research perspective. Examples of the industry perspective were to include how computational uncertainty methods are used to reduce system risk in various stages of design or development.

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

Yang, Y M; Bush, K; Han, B

Purpose: Accurate and fast dose calculation is a prerequisite of precision radiation therapy in modern photon and particle therapy. While Monte Carlo (MC) dose calculation provides high dosimetric accuracy, the drastically increased computational time hinders its routine use. Deterministic dose calculation methods are fast, but problematic in the presence of tissue density inhomogeneity. We leverage the useful features of deterministic methods and MC to develop a hybrid dose calculation platform with autonomous utilization of MC and deterministic calculation depending on the local geometry, for optimal accuracy and speed. Methods: Our platform utilizes a Geant4 based “localized Monte Carlo” (LMC) methodmore » that isolates MC dose calculations only to volumes that have potential for dosimetric inaccuracy. In our approach, additional structures are created encompassing heterogeneous volumes. Deterministic methods calculate dose and energy fluence up to the volume surfaces, where the energy fluence distribution is sampled into discrete histories and transported using MC. Histories exiting the volume are converted back into energy fluence, and transported deterministically. By matching boundary conditions at both interfaces, deterministic dose calculation account for dose perturbations “downstream” of localized heterogeneities. Hybrid dose calculation was performed for water and anthropomorphic phantoms. Results: We achieved <1% agreement between deterministic and MC calculations in the water benchmark for photon and proton beams, and dose differences of 2%–15% could be observed in heterogeneous phantoms. The saving in computational time (a factor ∼4–7 compared to a full Monte Carlo dose calculation) was found to be approximately proportional to the volume of the heterogeneous region. Conclusion: Our hybrid dose calculation approach takes advantage of the computational efficiency of deterministic method and accuracy of MC, providing a practical tool for high performance dose calculation in modern RT. The approach is generalizable to all modalities where heterogeneities play a large role, notably particle therapy.« less

Screen Capture Technology: A Digital Window into Students' Writing Processes

ERIC Educational Resources Information Center

Seror, Jeremie

2013-01-01

Technological innovations and the prevalence of the computer as a means of producing and engaging with texts have dramatically transformed how literacy is defined and developed in modern society. This rise in digital writing practices has led to a growing number of tools and methods that can be used to explore second language (L2) writing…

Handbook of Data Processing for Libraries.

ERIC Educational Resources Information Center

Hayes, Robert M.; Becker, Joseph

The purpose of this book is to assist libraries and librarians in resolving some of the problems faced in utilizing the new computer technology. The intent is to provide a concrete, factual guide to the principles and methods available for the application of modern data processing to library operations. For the librarian it is a handbook to guide…

Application of Computers in Methodical Planning of Natural and Social Studies

ERIC Educational Resources Information Center

Muradbegovic, Aida; Zufic, Janko

2005-01-01

Learning preparedness of students is becoming one of the most important issues in modern education, and it could be established through development of new culture of methodology and teaching at all educational levels. In this study, we started with the premise that quality teaching of the subject of natural and social studies in first four grades…

Parallel-vector unsymmetric Eigen-Solver on high performance computers

NASA Technical Reports Server (NTRS)

Nguyen, Duc T.; Jiangning, Qin

1993-01-01

The popular QR algorithm for solving all eigenvalues of an unsymmetric matrix is reviewed. Among the basic components in the QR algorithm, it was concluded from this study, that the reduction of an unsymmetric matrix to a Hessenberg form (before applying the QR algorithm itself) can be done effectively by exploiting the vector speed and multiple processors offered by modern high-performance computers. Numerical examples of several test cases have indicated that the proposed parallel-vector algorithm for converting a given unsymmetric matrix to a Hessenberg form offers computational advantages over the existing algorithm. The time saving obtained by the proposed methods is increased as the problem size increased.

Advances in electron kinetics and theory of gas discharges

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

Kolobov, Vladimir I.; The University of Alabama in Huntsville, Huntsville, Alabama 35899

2013-10-15

“Electrons, like people, are fertile and infertile: high-energy electrons are fertile and able to reproduce.”—Lev TsendinModern physics of gas discharges increasingly uses physical kinetics for analysis of non-equilibrium plasmas. The description of underlying physics at the kinetic level appears to be important for plasma applications in modern technologies. In this paper, we attempt to grasp the legacy of Professor Lev Tsendin, who advocated the use of the kinetic approach for understanding fundamental problems of gas discharges. We outline the fundamentals of electron kinetics in low-temperature plasmas, describe elements of the modern kinetic theory of gas discharges, and show examples ofmore » the theoretical approach to gas discharge problems used by Lev Tsendin. Important connections between electron kinetics in gas discharges and semiconductors are also discussed. Using several examples, we illustrate how Tsendin's ideas and methods are currently being developed for the implementation of next generation computational tools for adaptive kinetic-fluid simulations of gas discharges used in modern technologies.« less

Challenges of Big Data Analysis.

PubMed

Fan, Jianqing; Han, Fang; Liu, Han

2014-06-01

Big Data bring new opportunities to modern society and challenges to data scientists. On one hand, Big Data hold great promises for discovering subtle population patterns and heterogeneities that are not possible with small-scale data. On the other hand, the massive sample size and high dimensionality of Big Data introduce unique computational and statistical challenges, including scalability and storage bottleneck, noise accumulation, spurious correlation, incidental endogeneity, and measurement errors. These challenges are distinguished and require new computational and statistical paradigm. This article gives overviews on the salient features of Big Data and how these features impact on paradigm change on statistical and computational methods as well as computing architectures. We also provide various new perspectives on the Big Data analysis and computation. In particular, we emphasize on the viability of the sparsest solution in high-confidence set and point out that exogeneous assumptions in most statistical methods for Big Data can not be validated due to incidental endogeneity. They can lead to wrong statistical inferences and consequently wrong scientific conclusions.

Designing and Implementing a Computational Methods Course for Upper-level Undergraduates and Postgraduates in Atmospheric and Oceanic Sciences

NASA Astrophysics Data System (ADS)

Nelson, E.; L'Ecuyer, T. S.; Douglas, A.; Hansen, Z.

2017-12-01

In the modern computing age, scientists must utilize a wide variety of skills to carry out scientific research. Programming, including a focus on collaborative development, has become more prevalent in both academic and professional career paths. Faculty in the Department of Atmospheric and Oceanic Sciences at the University of Wisconsin—Madison recognized this need and recently approved a new course offering for undergraduates and postgraduates in computational methods that was first held in Spring 2017. Three programming languages were covered in the inaugural course semester and development themes such as modularization, data wrangling, and conceptual code models were woven into all of the sections. In this presentation, we will share successes and challenges in developing a research project-focused computational course that leverages hands-on computer laboratory learning and open-sourced course content. Improvements and changes in future iterations of the course based on the first offering will also be discussed.

Challenges of Big Data Analysis

PubMed Central

Fan, Jianqing; Han, Fang; Liu, Han

2014-01-01

Big Data bring new opportunities to modern society and challenges to data scientists. On one hand, Big Data hold great promises for discovering subtle population patterns and heterogeneities that are not possible with small-scale data. On the other hand, the massive sample size and high dimensionality of Big Data introduce unique computational and statistical challenges, including scalability and storage bottleneck, noise accumulation, spurious correlation, incidental endogeneity, and measurement errors. These challenges are distinguished and require new computational and statistical paradigm. This article gives overviews on the salient features of Big Data and how these features impact on paradigm change on statistical and computational methods as well as computing architectures. We also provide various new perspectives on the Big Data analysis and computation. In particular, we emphasize on the viability of the sparsest solution in high-confidence set and point out that exogeneous assumptions in most statistical methods for Big Data can not be validated due to incidental endogeneity. They can lead to wrong statistical inferences and consequently wrong scientific conclusions. PMID:25419469

M ssbauer spectroscopy

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

Hermann, Raphael P

2017-01-01

This most comprehensive and unrivaled compendium in the field provides an up-to-date account of the chemistry of solids, nanoparticles and hybrid materials. Following a valuable introductory chapter reviewing important synthesis techniques, the handbook presents a series of contributions by about 150 international leading experts -- the "Who's Who" of solid state science. Clearly structured, in six volumes it collates the knowledge available on solid state chemistry, starting from the synthesis, and modern methods of structure determination. Understanding and measuring the physical properties of bulk solids and the theoretical basis of modern computational treatments of solids are given ample space, asmore » are such modern trends as nanoparticles, surface properties and heterogeneous catalysis. Emphasis is placed throughout not only on the design and structure of solids but also on practical applications of these novel materials in real chemical situations.« less

The Aerodynamic Forces on Airship Hulls

NASA Technical Reports Server (NTRS)

Munk, Max M

1924-01-01

This report describes the new method for making computations in connection with the study of rigid airship, which was used in the investigation of the navy's ZR-1 by the special subcommittee of the National Advisory Committee for Aeronautics appointed for this purpose. It presents the general theory of the air forces on airship hulls of the type mentioned, and an attempt has been made to develop the results from the very fundamentals of mechanics without reference to some of the modern highly developed conceptions, which may not yet be thoroughly known to readers uninitiated into modern aerodynamics, and which may, perhaps, for all time remain restricted to a small number of specialists.

Optimizing Engineering Tools Using Modern Ground Architectures

DTIC Science & Technology

2017-12-01

Considerations,” International Journal of Computer Science & Engineering Survey , vol. 5, no. 4, 2014. [10] R. Bell. (n.d). A beginner’s guide to big O notation...scientific community. Traditional computing architectures were not capable of processing the data efficiently, or in some cases, could not process the...thesis investigates how these modern computing architectures could be leveraged by industry and academia to improve the performance and capabilities of

Shor's quantum factoring algorithm on a photonic chip.

PubMed

Politi, Alberto; Matthews, Jonathan C F; O'Brien, Jeremy L

2009-09-04

Shor's quantum factoring algorithm finds the prime factors of a large number exponentially faster than any other known method, a task that lies at the heart of modern information security, particularly on the Internet. This algorithm requires a quantum computer, a device that harnesses the massive parallelism afforded by quantum superposition and entanglement of quantum bits (or qubits). We report the demonstration of a compiled version of Shor's algorithm on an integrated waveguide silica-on-silicon chip that guides four single-photon qubits through the computation to factor 15.

Assessment of CFD capability for prediction of hypersonic shock interactions

NASA Astrophysics Data System (ADS)

Knight, Doyle; Longo, José; Drikakis, Dimitris; Gaitonde, Datta; Lani, Andrea; Nompelis, Ioannis; Reimann, Bodo; Walpot, Louis

2012-01-01

The aerothermodynamic loadings associated with shock wave boundary layer interactions (shock interactions) must be carefully considered in the design of hypersonic air vehicles. The capability of Computational Fluid Dynamics (CFD) software to accurately predict hypersonic shock wave laminar boundary layer interactions is examined. A series of independent computations performed by researchers in the US and Europe are presented for two generic configurations (double cone and cylinder) and compared with experimental data. The results illustrate the current capabilities and limitations of modern CFD methods for these flows.

Physics and engineering aspects of cell and tissue imaging systems: microscopic devices and computer assisted diagnosis.

PubMed

Chen, Xiaodong; Ren, Liqiang; Zheng, Bin; Liu, Hong

2013-01-01

The conventional optical microscopes have been used widely in scientific research and in clinical practice. The modern digital microscopic devices combine the power of optical imaging and computerized analysis, archiving and communication techniques. It has a great potential in pathological examinations for improving the efficiency and accuracy of clinical diagnosis. This chapter reviews the basic optical principles of conventional microscopes, fluorescence microscopes and electron microscopes. The recent developments and future clinical applications of advanced digital microscopic imaging methods and computer assisted diagnosis schemes are also discussed.

Structural biology computing: Lessons for the biomedical research sciences.

PubMed

Morin, Andrew; Sliz, Piotr

2013-11-01

The field of structural biology, whose aim is to elucidate the molecular and atomic structures of biological macromolecules, has long been at the forefront of biomedical sciences in adopting and developing computational research methods. Operating at the intersection between biophysics, biochemistry, and molecular biology, structural biology's growth into a foundational framework on which many concepts and findings of molecular biology are interpreted1 has depended largely on parallel advancements in computational tools and techniques. Without these computing advances, modern structural biology would likely have remained an exclusive pursuit practiced by few, and not become the widely practiced, foundational field it is today. As other areas of biomedical research increasingly embrace research computing techniques, the successes, failures and lessons of structural biology computing can serve as a useful guide to progress in other biomedically related research fields. Copyright © 2013 Wiley Periodicals, Inc.

[Application of Finite Element Method in Thoracolumbar Spine Traumatology].

PubMed

Zhang, Min; Qiu, Yong-gui; Shao, Yu; Gu, Xiao-feng; Zeng, Ming-wei

2015-04-01

The finite element method (FEM) is a mathematical technique using modern computer technology for stress analysis, and has been gradually used in simulating human body structures in the biomechanical field, especially more widely used in the research of thoracolumbar spine traumatology. This paper reviews the establishment of the thoracolumbar spine FEM, the verification of the FEM, and the thoracolumbar spine FEM research status in different fields, and discusses its prospects and values in forensic thoracolumbar traumatology.

Some observations on computer lip-reading: moving from the dream to the reality

NASA Astrophysics Data System (ADS)

Bear, Helen L.; Owen, Gari; Harvey, Richard; Theobald, Barry-John

2014-10-01

In the quest for greater computer lip-reading performance there are a number of tacit assumptions which are either present in the datasets (high resolution for example) or in the methods (recognition of spoken visual units called "visemes" for example). Here we review these and other assumptions and show the surprising result that computer lip-reading is not heavily constrained by video resolution, pose, lighting and other practical factors. However, the working assumption that visemes, which are the visual equivalent of phonemes, are the best unit for recognition does need further examination. We conclude that visemes, which were defined over a century ago, are unlikely to be optimal for a modern computer lip-reading system.

Research data collection methods: from paper to tablet computers.

PubMed

Wilcox, Adam B; Gallagher, Kathleen D; Boden-Albala, Bernadette; Bakken, Suzanne R

2012-07-01

Primary data collection is a critical activity in clinical research. Even with significant advances in technical capabilities, clear benefits of use, and even user preferences for using electronic systems for collecting primary data, paper-based data collection is still common in clinical research settings. However, with recent developments in both clinical research and tablet computer technology, the comparative advantages and disadvantages of data collection methods should be determined. To describe case studies using multiple methods of data collection, including next-generation tablets, and consider their various advantages and disadvantages. We reviewed 5 modern case studies using primary data collection, using methods ranging from paper to next-generation tablet computers. We performed semistructured telephone interviews with each project, which considered factors relevant to data collection. We address specific issues with workflow, implementation and security for these different methods, and identify differences in implementation that led to different technology considerations for each case study. There remain multiple methods for primary data collection, each with its own strengths and weaknesses. Two recent methods are electronic health record templates and next-generation tablet computers. Electronic health record templates can link data directly to medical records, but are notably difficult to use. Current tablet computers are substantially different from previous technologies with regard to user familiarity and software cost. The use of cloud-based storage for tablet computers, however, creates a specific challenge for clinical research that must be considered but can be overcome.

WE-D-303-00: Computational Phantoms

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

Lewis, John; Brigham and Women’s Hospital and Dana-Farber Cancer Institute, Boston, MA

2015-06-15

Modern medical physics deals with complex problems such as 4D radiation therapy and imaging quality optimization. Such problems involve a large number of radiological parameters, and anatomical and physiological breathing patterns. A major challenge is how to develop, test, evaluate and compare various new imaging and treatment techniques, which often involves testing over a large range of radiological parameters as well as varying patient anatomies and motions. It would be extremely challenging, if not impossible, both ethically and practically, to test every combination of parameters and every task on every type of patient under clinical conditions. Computer-based simulation using computationalmore » phantoms offers a practical technique with which to evaluate, optimize, and compare imaging technologies and methods. Within simulation, the computerized phantom provides a virtual model of the patient’s anatomy and physiology. Imaging data can be generated from it as if it was a live patient using accurate models of the physics of the imaging and treatment process. With sophisticated simulation algorithms, it is possible to perform virtual experiments entirely on the computer. By serving as virtual patients, computational phantoms hold great promise in solving some of the most complex problems in modern medical physics. In this proposed symposium, we will present the history and recent developments of computational phantom models, share experiences in their application to advanced imaging and radiation applications, and discuss their promises and limitations. Learning Objectives: Understand the need and requirements of computational phantoms in medical physics research Discuss the developments and applications of computational phantoms Know the promises and limitations of computational phantoms in solving complex problems.« less

Modern Computational Techniques for the HMMER Sequence Analysis

PubMed Central

2013-01-01

This paper focuses on the latest research and critical reviews on modern computing architectures, software and hardware accelerated algorithms for bioinformatics data analysis with an emphasis on one of the most important sequence analysis applications—hidden Markov models (HMM). We show the detailed performance comparison of sequence analysis tools on various computing platforms recently developed in the bioinformatics society. The characteristics of the sequence analysis, such as data and compute-intensive natures, make it very attractive to optimize and parallelize by using both traditional software approach and innovated hardware acceleration technologies. PMID:25937944

The role of modern control theory in the design of controls for aircraft turbine engines

NASA Technical Reports Server (NTRS)

Zeller, J.; Lehtinen, B.; Merrill, W.

1982-01-01

The development, applications, and current research in modern control theory (MCT) are reviewed, noting the importance for fuel-efficient operation of turbines with variable inlet guide vanes, compressor stators, and exhaust nozzle area. The evolution of multivariable propulsion control design is examined, noting a basis in a matrix formulation of the differential equations defining the process, leading to state space formulations. Reports and papers which appeared from 1970-1982 which dealt with problems in MCT applications to turbine engine control design are outlined, including works on linear quadratic regulator methods, frequency domain methods, identification, estimation, and model reduction, detection, isolation, and accommodation, and state space control, adaptive control, and optimization approaches. Finally, NASA programs in frequency domain design, sensor failure detection, computer-aided control design, and plant modeling are explored

Adapting Extension Food Safety Programming for Vegetable Growers to Accommodate Differences in Ethnicity, Farming Scale, and Other Individual Factors

ERIC Educational Resources Information Center

Kline, Terence R.; Kneen, Harold; Barrett, Eric; Kleinschmidt, Andy; Doohan, Doug

2012-01-01

Differences in vegetable production methods utilized by American growers create distinct challenges for Extension personnel providing food safety training to producer groups. A program employing computers and projectors will not be accepted by an Amish group that does not accept modern technology. We have developed an outreach program that covers…

Pattern Discovery in Biomolecular Data – Tools, Techniques, and Applications | Center for Cancer Research

Cancer.gov

Finding patterns in biomolecular data, particularly in DNA and RNA, is at the center of modern biological research. These data are complex and growing rapidly, so the search for patterns requires increasingly sophisticated computer methods. This book provides a summary of principal techniques. Each chapter describes techniques that are drawn from many fields, including graph

Efficiency Evaluation of Handling of Geologic-Geophysical Information by Means of Computer Systems

NASA Astrophysics Data System (ADS)

Nuriyahmetova, S. M.; Demyanova, O. V.; Zabirova, L. M.; Gataullin, I. I.; Fathutdinova, O. A.; Kaptelinina, E. A.

2018-05-01

Development of oil and gas resources, considering difficult geological, geographical and economic conditions, requires considerable finance costs; therefore their careful reasons, application of the most perspective directions and modern technologies from the point of view of cost efficiency of planned activities are necessary. For ensuring high precision of regional and local forecasts and modeling of reservoirs of fields of hydrocarbonic raw materials, it is necessary to analyze huge arrays of the distributed information which is constantly changing spatial. The solution of this task requires application of modern remote methods of a research of the perspective oil-and-gas territories, complex use of materials remote, nondestructive the environment of geologic-geophysical and space methods of sounding of Earth and the most perfect technologies of their handling. In the article, the authors considered experience of handling of geologic-geophysical information by means of computer systems by the Russian and foreign companies. Conclusions that the multidimensional analysis of geologicgeophysical information space, effective planning and monitoring of exploration works requires broad use of geoinformation technologies as one of the most perspective directions in achievement of high profitability of an oil and gas industry are drawn.

On the equivalence of spherical splines with least-squares collocation and Stokes's formula for regional geoid computation

NASA Astrophysics Data System (ADS)

Ophaug, Vegard; Gerlach, Christian

2017-11-01

This work is an investigation of three methods for regional geoid computation: Stokes's formula, least-squares collocation (LSC), and spherical radial base functions (RBFs) using the spline kernel (SK). It is a first attempt to compare the three methods theoretically and numerically in a unified framework. While Stokes integration and LSC may be regarded as classic methods for regional geoid computation, RBFs may still be regarded as a modern approach. All methods are theoretically equal when applied globally, and we therefore expect them to give comparable results in regional applications. However, it has been shown by de Min (Bull Géod 69:223-232, 1995. doi: 10.1007/BF00806734) that the equivalence of Stokes's formula and LSC does not hold in regional applications without modifying the cross-covariance function. In order to make all methods comparable in regional applications, the corresponding modification has been introduced also in the SK. Ultimately, we present numerical examples comparing Stokes's formula, LSC, and SKs in a closed-loop environment using synthetic noise-free data, to verify their equivalence. All agree on the millimeter level.

High-Productivity Computing in Computational Physics Education

NASA Astrophysics Data System (ADS)

Tel-Zur, Guy

2011-03-01

We describe the development of a new course in Computational Physics at the Ben-Gurion University. This elective course for 3rd year undergraduates and MSc. students is being taught during one semester. Computational Physics is by now well accepted as the Third Pillar of Science. This paper's claim is that modern Computational Physics education should deal also with High-Productivity Computing. The traditional approach of teaching Computational Physics emphasizes ``Correctness'' and then ``Accuracy'' and we add also ``Performance.'' Along with topics in Mathematical Methods and case studies in Physics the course deals a significant amount of time with ``Mini-Courses'' in topics such as: High-Throughput Computing - Condor, Parallel Programming - MPI and OpenMP, How to build a Beowulf, Visualization and Grid and Cloud Computing. The course does not intend to teach neither new physics nor new mathematics but it is focused on an integrated approach for solving problems starting from the physics problem, the corresponding mathematical solution, the numerical scheme, writing an efficient computer code and finally analysis and visualization.

Parallelization strategies for continuum-generalized method of moments on the multi-thread systems

NASA Astrophysics Data System (ADS)

Bustamam, A.; Handhika, T.; Ernastuti, Kerami, D.

2017-07-01

Continuum-Generalized Method of Moments (C-GMM) covers the Generalized Method of Moments (GMM) shortfall which is not as efficient as Maximum Likelihood estimator by using the continuum set of moment conditions in a GMM framework. However, this computation would take a very long time since optimizing regularization parameter. Unfortunately, these calculations are processed sequentially whereas in fact all modern computers are now supported by hierarchical memory systems and hyperthreading technology, which allowing for parallel computing. This paper aims to speed up the calculation process of C-GMM by designing a parallel algorithm for C-GMM on the multi-thread systems. First, parallel regions are detected for the original C-GMM algorithm. There are two parallel regions in the original C-GMM algorithm, that are contributed significantly to the reduction of computational time: the outer-loop and the inner-loop. Furthermore, this parallel algorithm will be implemented with standard shared-memory application programming interface, i.e. Open Multi-Processing (OpenMP). The experiment shows that the outer-loop parallelization is the best strategy for any number of observations.

Accelerating nuclear configuration interaction calculations through a preconditioned block iterative eigensolver

NASA Astrophysics Data System (ADS)

Shao, Meiyue; Aktulga, H. Metin; Yang, Chao; Ng, Esmond G.; Maris, Pieter; Vary, James P.

2018-01-01

We describe a number of recently developed techniques for improving the performance of large-scale nuclear configuration interaction calculations on high performance parallel computers. We show the benefit of using a preconditioned block iterative method to replace the Lanczos algorithm that has traditionally been used to perform this type of computation. The rapid convergence of the block iterative method is achieved by a proper choice of starting guesses of the eigenvectors and the construction of an effective preconditioner. These acceleration techniques take advantage of special structure of the nuclear configuration interaction problem which we discuss in detail. The use of a block method also allows us to improve the concurrency of the computation, and take advantage of the memory hierarchy of modern microprocessors to increase the arithmetic intensity of the computation relative to data movement. We also discuss the implementation details that are critical to achieving high performance on massively parallel multi-core supercomputers, and demonstrate that the new block iterative solver is two to three times faster than the Lanczos based algorithm for problems of moderate sizes on a Cray XC30 system.

Wood densitometry in 17th and 18th century Dutch, German, Austrian and French violins, compared to classical Cremonese and modern violins.

PubMed

Stoel, Berend C; Borman, Terry M; de Jongh, Ronald

2012-01-01

Classical violins produced by makers such as Antonio Stradivari and Guarneri del Gesu have long been considered the epitome of the luthier's art and the expressive tool of choice for the most celebrated violinists. It has been speculated these makers had access to wood that was unique in some way and that this was responsible for their acclaimed tonal characteristics. In an attempt to discern whether the above conjecture is true, we analyzed 17 modern and classical Dutch, German, Austrian and French violins by wood densitometry using computed tomography and correlated these results with our previous study of modern and Cremonese violins; in all studying 30 instruments of the violin family. In order to make this comparison possible we developed methods to cross calibrate results from different CT manufacturers using calibration wood pieces. We found no significant differences in median densities between modern and classical violins, or between classical violins from different origins. These results suggest that it is unlikely classical Cremonese makers had access to wood with significantly different wood density characteristics than that available to contemporaneous or modern makers.

VERAIn

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

Simunovic, Srdjan

2015-02-16

CASL's modeling and simulation technology, the Virtual Environment for Reactor Applications (VERA), incorporates coupled physics and science-based models, state-of-the-art numerical methods, modern computational science, integrated uncertainty quantification (UQ) and validation against data from operating pressurized water reactors (PWRs), single-effect experiments, and integral tests. The computational simulation component of VERA is the VERA Core Simulator (VERA-CS). The core simulator is the specific collection of multi-physics computer codes used to model and deplete a LWR core over multiple cycles. The core simulator has a single common input file that drives all of the different physics codes. The parser code, VERAIn, converts VERAmore » Input into an XML file that is used as input to different VERA codes.« less

Three-dimensional surface reconstruction for industrial computed tomography

NASA Technical Reports Server (NTRS)

Vannier, M. W.; Knapp, R. H.; Gayou, D. E.; Sammon, N. P.; Butterfield, R. L.; Larson, J. W.

1985-01-01

Modern high resolution medical computed tomography (CT) scanners can produce geometrically accurate sectional images of many types of industrial objects. Computer software has been developed to convert serial CT scans into a three-dimensional surface form, suitable for display on the scanner itself. This software, originally developed for imaging the skull, has been adapted for application to industrial CT scanning, where serial CT scans thrrough an object of interest may be reconstructed to demonstrate spatial relationships in three dimensions that cannot be easily understood using the original slices. The methods of three-dimensional reconstruction and solid modeling are reviewed, and reconstruction in three dimensions from CT scans through familiar objects is demonstrated.

Securing Secrets and Managing Trust in Modern Computing Applications

ERIC Educational Resources Information Center

Sayler, Andy

2016-01-01

The amount of digital data generated and stored by users increases every day. In order to protect this data, modern computing systems employ numerous cryptographic and access control solutions. Almost all of such solutions, however, require the keeping of certain secrets as the basis of their security models. How best to securely store and control…

Design and Decorative Art in Shaping of Architectural Environment Image

NASA Astrophysics Data System (ADS)

Shabalina, N. M.

2017-11-01

The relevance of the topic is determined by the dynamic development of the promising branch, i.e. the architectural environment design, which requires, on the one hand, consideration of the morphology and typology of this art form, on the other hand, the specificity of the architectural environment artistic image. The intensive development of innovative computer technologies and materials in modern engineering, improvement of the information communications forms in their totality has led to the application of new methods in design and construction which, in their turn, have required the development of additional methods for content and context analysis in the integrated assessment of socially significant architectural environments. In the modern culture, correlative processes are steadily developing leading us to a new understanding of the interaction of architecture, decorative art and design. Their rapprochement at the morphological level has been noted which makes it possible to reveal a specific method of synthesis and similarity. The architecture of postmodern styles differs in its bionic form becoming an interactive part of the society and approaching its structural qualities with painting, sculpture, and design. In the modern world, these processes acquire multi-valued semantic nuances, expand the importance of associativity and dynamic processuality in the perception of environmental objects and demand the development of new approaches to the assessment of the architectural design environment. Within the framework of the universal paradigm of modern times the concept of the world develops as a set of systems that live according to the self-organization laws.

Machine learning of molecular electronic properties in chemical compound space

NASA Astrophysics Data System (ADS)

Montavon, Grégoire; Rupp, Matthias; Gobre, Vivekanand; Vazquez-Mayagoitia, Alvaro; Hansen, Katja; Tkatchenko, Alexandre; Müller, Klaus-Robert; Anatole von Lilienfeld, O.

2013-09-01

The combination of modern scientific computing with electronic structure theory can lead to an unprecedented amount of data amenable to intelligent data analysis for the identification of meaningful, novel and predictive structure-property relationships. Such relationships enable high-throughput screening for relevant properties in an exponentially growing pool of virtual compounds that are synthetically accessible. Here, we present a machine learning model, trained on a database of ab initio calculation results for thousands of organic molecules, that simultaneously predicts multiple electronic ground- and excited-state properties. The properties include atomization energy, polarizability, frontier orbital eigenvalues, ionization potential, electron affinity and excitation energies. The machine learning model is based on a deep multi-task artificial neural network, exploiting the underlying correlations between various molecular properties. The input is identical to ab initio methods, i.e. nuclear charges and Cartesian coordinates of all atoms. For small organic molecules, the accuracy of such a ‘quantum machine’ is similar, and sometimes superior, to modern quantum-chemical methods—at negligible computational cost.

Design and Implementation of a Modern Automatic Deformation Monitoring System

NASA Astrophysics Data System (ADS)

Engel, Philipp; Schweimler, Björn

2016-03-01

The deformation monitoring of structures and buildings is an important task field of modern engineering surveying, ensuring the standing and reliability of supervised objects over a long period. Several commercial hardware and software solutions for the realization of such monitoring measurements are available on the market. In addition to them, a research team at the University of Applied Sciences in Neubrandenburg (NUAS) is actively developing a software package for monitoring purposes in geodesy and geotechnics, which is distributed under an open source licence and free of charge. The task of managing an open source project is well-known in computer science, but it is fairly new in a geodetic context. This paper contributes to that issue by detailing applications, frameworks, and interfaces for the design and implementation of open hardware and software solutions for sensor control, sensor networks, and data management in automatic deformation monitoring. It will be discussed how the development effort of networked applications can be reduced by using free programming tools, cloud computing technologies, and rapid prototyping methods.

The Research on Application of Information Technology in sports Stadiums

NASA Astrophysics Data System (ADS)

Can, Han; Lu, Ma; Gan, Luying

With the Olympic glory in the national fitness program planning and the smooth development of China, the public's concern for the sport continues to grow, while their physical health is also increasingly fervent desired, the country launched a modern technological construction of sports facilities. Information technology applications in the sports venues in the increasingly wide range of modern venues and facilities, including not only the intelligent application of office automation systems, intelligent systems and sports facilities, communication systems for event management, ticket access control system, contest information systems, television systems, Command and Control System, but also in action including the use of computer technology, image analysis, computer-aided training athletes, sports training system and related data entry systems, decision support systems.Using documentary data method, this paper focuses on the research on application of information technology in Sports Stadiums, and try to explore its future trends.With a view to promote the growth of China's national economyand,so as to improve the students'quality and promote the cause of Chinese sports.

[Computational chemistry in structure-based drug design].

PubMed

Cao, Ran; Li, Wei; Sun, Han-Zi; Zhou, Yu; Huang, Niu

2013-07-01

Today, the understanding of the sequence and structure of biologically relevant targets is growing rapidly and researchers from many disciplines, physics and computational science in particular, are making significant contributions to modern biology and drug discovery. However, it remains challenging to rationally design small molecular ligands with desired biological characteristics based on the structural information of the drug targets, which demands more accurate calculation of ligand binding free-energy. With the rapid advances in computer power and extensive efforts in algorithm development, physics-based computational chemistry approaches have played more important roles in structure-based drug design. Here we reviewed the newly developed computational chemistry methods in structure-based drug design as well as the elegant applications, including binding-site druggability assessment, large scale virtual screening of chemical database, and lead compound optimization. Importantly, here we address the current bottlenecks and propose practical solutions.

Oscillatory threshold logic.

PubMed

Borresen, Jon; Lynch, Stephen

2012-01-01

In the 1940s, the first generation of modern computers used vacuum tube oscillators as their principle components, however, with the development of the transistor, such oscillator based computers quickly became obsolete. As the demand for faster and lower power computers continues, transistors are themselves approaching their theoretical limit and emerging technologies must eventually supersede them. With the development of optical oscillators and Josephson junction technology, we are again presented with the possibility of using oscillators as the basic components of computers, and it is possible that the next generation of computers will be composed almost entirely of oscillatory devices. Here, we demonstrate how coupled threshold oscillators may be used to perform binary logic in a manner entirely consistent with modern computer architectures. We describe a variety of computational circuitry and demonstrate working oscillator models of both computation and memory.

Approximate l-fold cross-validation with Least Squares SVM and Kernel Ridge Regression

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

Edwards, Richard E; Zhang, Hao; Parker, Lynne Edwards

2013-01-01

Kernel methods have difficulties scaling to large modern data sets. The scalability issues are based on computational and memory requirements for working with a large matrix. These requirements have been addressed over the years by using low-rank kernel approximations or by improving the solvers scalability. However, Least Squares Support VectorMachines (LS-SVM), a popular SVM variant, and Kernel Ridge Regression still have several scalability issues. In particular, the O(n^3) computational complexity for solving a single model, and the overall computational complexity associated with tuning hyperparameters are still major problems. We address these problems by introducing an O(n log n) approximate l-foldmore » cross-validation method that uses a multi-level circulant matrix to approximate the kernel. In addition, we prove our algorithm s computational complexity and present empirical runtimes on data sets with approximately 1 million data points. We also validate our approximate method s effectiveness at selecting hyperparameters on real world and standard benchmark data sets. Lastly, we provide experimental results on using a multi-level circulant kernel approximation to solve LS-SVM problems with hyperparameters selected using our method.« less

Computational Methods to Work as First-Pass Filter in Deleterious SNP Analysis of Alkaptonuria

PubMed Central

Magesh, R.; George Priya Doss, C.

2012-01-01

A major challenge in the analysis of human genetic variation is to distinguish functional from nonfunctional SNPs. Discovering these functional SNPs is one of the main goals of modern genetics and genomics studies. There is a need to effectively and efficiently identify functionally important nsSNPs which may be deleterious or disease causing and to identify their molecular effects. The prediction of phenotype of nsSNPs by computational analysis may provide a good way to explore the function of nsSNPs and its relationship with susceptibility to disease. In this context, we surveyed and compared variation databases along with in silico prediction programs to assess the effects of deleterious functional variants on protein functions. In other respects, we attempted these methods to work as first-pass filter to identify the deleterious substitutions worth pursuing for further experimental research. In this analysis, we used the existing computational methods to explore the mutation-structure-function relationship in HGD gene causing alkaptonuria. PMID:22606059

Computer models of complex multiloop branched pipeline systems

NASA Astrophysics Data System (ADS)

Kudinov, I. V.; Kolesnikov, S. V.; Eremin, A. V.; Branfileva, A. N.

2013-11-01

This paper describes the principal theoretical concepts of the method used for constructing computer models of complex multiloop branched pipeline networks, and this method is based on the theory of graphs and two Kirchhoff's laws applied to electrical circuits. The models make it possible to calculate velocities, flow rates, and pressures of a fluid medium in any section of pipeline networks, when the latter are considered as single hydraulic systems. On the basis of multivariant calculations the reasons for existing problems can be identified, the least costly methods of their elimination can be proposed, and recommendations for planning the modernization of pipeline systems and construction of their new sections can be made. The results obtained can be applied to complex pipeline systems intended for various purposes (water pipelines, petroleum pipelines, etc.). The operability of the model has been verified on an example of designing a unified computer model of the heat network for centralized heat supply of the city of Samara.

TOXCAST, A TOOL FOR CATEGORIZATION AND ...

EPA Pesticide Factsheets

Across several EPA Program Offices (e.g., OPPTS, OW, OAR), there is a clear need to develop strategies and methods to screen large numbers of chemicals for potential toxicity, and to use the resulting information to prioritize the use of testing resources towards those entities and endpoints that present the greatest likelihood of risk to human health and the environment. This need could be addressed using the experience of the pharmaceutical industry in the use of advanced modern molecular biology and computational chemistry tools for the development of new drugs, with appropriate adjustment to the needs and desires of environmental toxicology. A conceptual approach named ToxCast has been developed to address the needs of EPA Program Offices in the area of prioritization and screening. Modern computational chemistry and molecular biology tools bring enabling technologies forward that can provide information about the physical and biological properties of large numbers of chemicals. The essence of the proposal is to conduct a demonstration project based upon a rich toxicological database (e.g., registered pesticides, or the chemicals tested in the NTP bioassay program), select a fairly large number (50-100 or more chemicals) representative of a number of differing structural classes and phenotypic outcomes (e.g., carcinogens, reproductive toxicants, neurotoxicants), and evaluate them across a broad spectrum of information domains that modern technology has pro

Computational and analytical methods in nonlinear fluid dynamics

NASA Astrophysics Data System (ADS)

Walker, James

1993-09-01

The central focus of the program was on the application and development of modern analytical and computational methods to the solution of nonlinear problems in fluid dynamics and reactive gas dynamics. The research was carried out within the Division of Engineering Mathematics in the Department of Mechanical Engineering and Mechanics and principally involved Professors P.A. Blythe, E. Varley and J.D.A. Walker. In addition. the program involved various international collaborations. Professor Blythe completed work on reactive gas dynamics with Professor D. Crighton FRS of Cambridge University in the United Kingdom. Professor Walker and his students carried out joint work with Professor F.T. Smith, of University College London, on various problems in unsteady flow and turbulent boundary layers.

Periodic control of the individual-blade-control helicopter rotor

NASA Technical Reports Server (NTRS)

Mckillip, R. M., Jr.

1985-01-01

This paper describes the results of an investigation into methods of controller design for linear periodic systems utilizing an extension of modern control methods. Trends present in the selection of various cost functions are outlined, and closed-loop controller results are demonstrated for two cases: first, on an analog computer simulation of the rigid out of plane flapping dynamics of a single rotor blade, and second, on a 4 ft diameter single-bladed model helicopter rotor in the MIT 5 x 7 subsonic wind tunnel, both for various high levels of advance ratio. It is shown that modal control using the IBC concept is possible over a large range of advance ratios with only a modest amount of computational power required.

Modern morphometry: new perspectives in physical anthropology.

PubMed

Mantini, Simone; Ripani, Maurizio

2009-06-01

In the past one hundred years physical anthropology has recourse to more and more efficient methods, which provide several new information regarding, human evolution and biology. Apart from the molecular approach, the introduction of new computed assisted techniques gave rise to a new concept of morphometry. Computed tomography and 3D-imaging, allowed providing anatomical description of the external and inner structures exceeding the problems encountered with the traditional morphometric methods. Furthermore, the support of geometric morphometrics, allowed creating geometric models to investigate morphological variation in terms of evolution, ontogeny and variability. The integration of these new tools gave rise to the virtual anthropology and to a new image of the anthropologist in which anatomical, biological, mathematical statistical and data processing information are fused in a multidisciplinary approach.

A Bitslice Implementation of Anderson's Attack on A5/1

NASA Astrophysics Data System (ADS)

Bulavintsev, Vadim; Semenov, Alexander; Zaikin, Oleg; Kochemazov, Stepan

2018-03-01

The A5/1 keystream generator is a part of Global System for Mobile Communications (GSM) protocol, employed in cellular networks all over the world. Its cryptographic resistance was extensively analyzed in dozens of papers. However, almost all corresponding methods either employ a specific hardware or require an extensive preprocessing stage and significant amounts of memory. In the present study, a bitslice variant of Anderson's Attack on A5/1 is implemented. It requires very little computer memory and no preprocessing. Moreover, the attack can be made even more efficient by harnessing the computing power of modern Graphics Processing Units (GPUs). As a result, using commonly available GPUs this method can quite efficiently recover the secret key using only 64 bits of keystream. To test the performance of the implementation, a volunteer computing project was launched. 10 instances of A5/1 cryptanalysis have been successfully solved in this project in a single week.

Computational ecology as an emerging science

PubMed Central

Petrovskii, Sergei; Petrovskaya, Natalia

2012-01-01

It has long been recognized that numerical modelling and computer simulations can be used as a powerful research tool to understand, and sometimes to predict, the tendencies and peculiarities in the dynamics of populations and ecosystems. It has been, however, much less appreciated that the context of modelling and simulations in ecology is essentially different from those that normally exist in other natural sciences. In our paper, we review the computational challenges arising in modern ecology in the spirit of computational mathematics, i.e. with our main focus on the choice and use of adequate numerical methods. Somewhat paradoxically, the complexity of ecological problems does not always require the use of complex computational methods. This paradox, however, can be easily resolved if we recall that application of sophisticated computational methods usually requires clear and unambiguous mathematical problem statement as well as clearly defined benchmark information for model validation. At the same time, many ecological problems still do not have mathematically accurate and unambiguous description, and available field data are often very noisy, and hence it can be hard to understand how the results of computations should be interpreted from the ecological viewpoint. In this scientific context, computational ecology has to deal with a new paradigm: conventional issues of numerical modelling such as convergence and stability become less important than the qualitative analysis that can be provided with the help of computational techniques. We discuss this paradigm by considering computational challenges arising in several specific ecological applications. PMID:23565336

Large scale neural circuit mapping data analysis accelerated with the graphical processing unit (GPU)

PubMed Central

Shi, Yulin; Veidenbaum, Alexander V.; Nicolau, Alex; Xu, Xiangmin

2014-01-01

Background Modern neuroscience research demands computing power. Neural circuit mapping studies such as those using laser scanning photostimulation (LSPS) produce large amounts of data and require intensive computation for post-hoc processing and analysis. New Method Here we report on the design and implementation of a cost-effective desktop computer system for accelerated experimental data processing with recent GPU computing technology. A new version of Matlab software with GPU enabled functions is used to develop programs that run on Nvidia GPUs to harness their parallel computing power. Results We evaluated both the central processing unit (CPU) and GPU-enabled computational performance of our system in benchmark testing and practical applications. The experimental results show that the GPU-CPU co-processing of simulated data and actual LSPS experimental data clearly outperformed the multi-core CPU with up to a 22x speedup, depending on computational tasks. Further, we present a comparison of numerical accuracy between GPU and CPU computation to verify the precision of GPU computation. In addition, we show how GPUs can be effectively adapted to improve the performance of commercial image processing software such as Adobe Photoshop. Comparison with Existing Method(s) To our best knowledge, this is the first demonstration of GPU application in neural circuit mapping and electrophysiology-based data processing. Conclusions Together, GPU enabled computation enhances our ability to process large-scale data sets derived from neural circuit mapping studies, allowing for increased processing speeds while retaining data precision. PMID:25277633

A Platform-Independent Plugin for Navigating Online Radiology Cases.

PubMed

Balkman, Jason D; Awan, Omer A

2016-06-01

Software methods that enable navigation of radiology cases on various digital platforms differ between handheld devices and desktop computers. This has resulted in poor compatibility of online radiology teaching files across mobile smartphones, tablets, and desktop computers. A standardized, platform-independent, or "agnostic" approach for presenting online radiology content was produced in this work by leveraging modern hypertext markup language (HTML) and JavaScript web software technology. We describe the design and evaluation of this software, demonstrate its use across multiple viewing platforms, and make it publicly available as a model for future development efforts.

GPU applications for data processing

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

Vladymyrov, Mykhailo, E-mail: mykhailo.vladymyrov@cern.ch; Aleksandrov, Andrey; INFN sezione di Napoli, I-80125 Napoli

2015-12-31

Modern experiments that use nuclear photoemulsion imply fast and efficient data acquisition from the emulsion can be performed. The new approaches in developing scanning systems require real-time processing of large amount of data. Methods that use Graphical Processing Unit (GPU) computing power for emulsion data processing are presented here. It is shown how the GPU-accelerated emulsion processing helped us to rise the scanning speed by factor of nine.

FY07 NRL DoD High Performance Computing Modernization Program Annual Reports

DTIC Science & Technology

2008-09-05

performed. Implicit and explicit solutions methods are used as appropriate. The primary finite element codes used are ABAQUS and ANSYS. User subroutines ...geometric complexities, loading path dependence, rate dependence, and interaction between loading types (electrical, thermal and mechanical). Work is not...are used for specialized material constitutive response. Coupled material responses, such as electrical- thermal for capacitor materials or electrical

Improving robustness and computational efficiency using modern C++

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

Paterno, M.; Kowalkowski, J.; Green, C.

2014-01-01

For nearly two decades, the C++ programming language has been the dominant programming language for experimental HEP. The publication of ISO/IEC 14882:2011, the current version of the international standard for the C++ programming language, makes available a variety of language and library facilities for improving the robustness, expressiveness, and computational efficiency of C++ code. However, much of the C++ written by the experimental HEP community does not take advantage of the features of the language to obtain these benefits, either due to lack of familiarity with these features or concern that these features must somehow be computationally inefficient. In thismore » paper, we address some of the features of modern C+-+, and show how they can be used to make programs that are both robust and computationally efficient. We compare and contrast simple yet realistic examples of some common implementation patterns in C, currently-typical C++, and modern C++, and show (when necessary, down to the level of generated assembly language code) the quality of the executable code produced by recent C++ compilers, with the aim of allowing the HEP community to make informed decisions on the costs and benefits of the use of modern C++.« less

A Hitch-hiker's Guide to Stochastic Differential Equations. Solution Methods for Energetic Particle Transport in Space Physics and Astrophysics

NASA Astrophysics Data System (ADS)

Strauss, R. Du Toit; Effenberger, Frederic

2017-10-01

In this review, an overview of the recent history of stochastic differential equations (SDEs) in application to particle transport problems in space physics and astrophysics is given. The aim is to present a helpful working guide to the literature and at the same time introduce key principles of the SDE approach via "toy models". Using these examples, we hope to provide an easy way for newcomers to the field to use such methods in their own research. Aspects covered are the solar modulation of cosmic rays, diffusive shock acceleration, galactic cosmic ray propagation and solar energetic particle transport. We believe that the SDE method, due to its simplicity and computational efficiency on modern computer architectures, will be of significant relevance in energetic particle studies in the years to come.

Leveraging Social Computing for Personalized Crisis Communication using Social Media

PubMed Central

Leykin, Dmitry; Aharonson-Daniel, Limor; Lahad, Mooli

2016-01-01

Introduction: The extensive use of social media in modern life redefines social interaction and communication. Communication plays an important role in mitigating, or exacerbating, the psychological and behavioral responses to critical incidents and disasters. As recent disasters demonstrated, people tend to converge to social media during and following emergencies. Authorities can then use this media and other computational methods to gain insights from the public, mainly to enhance situational awareness, but also to improve their communication with the public and public adherence to instructions. Methods: The current review presents a conceptual framework for studying psychological aspects of crisis and risk communication using the social media through social computing. Results: Advanced analytical tools can be integrated in the processes and objectives of crisis communication. The availability of the computational techniques can improve communication with the public by a process of Hyper-Targeted Crisis Communication. Discussion: The review suggests that using advanced computational tools for target-audience profiling and linguistic matching in social media, can facilitate more sensitive and personalized emergency communication. PMID:27092290

HackaMol: An Object-Oriented Modern Perl Library for Molecular Hacking on Multiple Scales

DOE PAGES

Riccardi, Demian M.; Parks, Jerry M.; Johs, Alexander; ...

2015-03-20

HackaMol is an open source, object-oriented toolkit written in Modern Perl that organizes atoms within molecules and provides chemically intuitive attributes and methods. The library consists of two components: HackaMol, the core that contains classes for storing and manipulating molecular information, and HackaMol::X, the extensions that use the core. We tested the core; it is well-documented and easy to install across computational platforms. Our goal for the extensions is to provide a more flexible space for researchers to develop and share new methods. In this application note, we provide a description of the core classes and two extensions: HackaMol::X::Calculator, anmore » abstract calculator that uses code references to generalize interfaces with external programs, and HackaMol::X::Vina, a structured class that provides an interface with the AutoDock Vina docking program.« less

HackaMol: An Object-Oriented Modern Perl Library for Molecular Hacking on Multiple Scales.

PubMed

Riccardi, Demian; Parks, Jerry M; Johs, Alexander; Smith, Jeremy C

2015-04-27

HackaMol is an open source, object-oriented toolkit written in Modern Perl that organizes atoms within molecules and provides chemically intuitive attributes and methods. The library consists of two components: HackaMol, the core that contains classes for storing and manipulating molecular information, and HackaMol::X, the extensions that use the core. The core is well-tested, well-documented, and easy to install across computational platforms. The goal of the extensions is to provide a more flexible space for researchers to develop and share new methods. In this application note, we provide a description of the core classes and two extensions: HackaMol::X::Calculator, an abstract calculator that uses code references to generalize interfaces with external programs, and HackaMol::X::Vina, a structured class that provides an interface with the AutoDock Vina docking program.

HackaMol: An Object-Oriented Modern Perl Library for Molecular Hacking on Multiple Scales

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

Riccardi, Demian M.; Parks, Jerry M.; Johs, Alexander

HackaMol is an open source, object-oriented toolkit written in Modern Perl that organizes atoms within molecules and provides chemically intuitive attributes and methods. The library consists of two components: HackaMol, the core that contains classes for storing and manipulating molecular information, and HackaMol::X, the extensions that use the core. We tested the core; it is well-documented and easy to install across computational platforms. Our goal for the extensions is to provide a more flexible space for researchers to develop and share new methods. In this application note, we provide a description of the core classes and two extensions: HackaMol::X::Calculator, anmore » abstract calculator that uses code references to generalize interfaces with external programs, and HackaMol::X::Vina, a structured class that provides an interface with the AutoDock Vina docking program.« less

On the Emergence of Modern Humans

ERIC Educational Resources Information Center

Amati, Daniele; Shallice, Tim

2007-01-01

The emergence of modern humans with their extraordinary cognitive capacities is ascribed to a novel type of cognitive computational process (sustained non-routine multi-level operations) required for abstract projectuality, held to be the common denominator of the cognitive capacities specific to modern humans. A brain operation (latching) that…

Root-cause estimation of ultrasonic scattering signatures within a complex textured titanium

NASA Astrophysics Data System (ADS)

Blackshire, James L.; Na, Jeong K.; Freed, Shaun

2016-02-01

The nondestructive evaluation of polycrystalline materials has been an active area of research for many decades, and continues to be an area of growth in recent years. Titanium alloys in particular have become a critical material system used in modern turbine engine applications, where an evaluation of the local microstructure properties of engine disk/blade components is desired for performance and remaining life assessments. Current NDE methods are often limited to estimating ensemble material properties or detecting localized voids, inclusions, or damage features within a material. Recent advances in computational NDE and material science characterization methods are providing new and unprecedented access to heterogeneous material properties, which permits microstructure-sensing interactions to be studied in detail. In the present research, Integrated Computational Materials Engineering (ICME) methods and tools are being leveraged to gain a comprehensive understanding of root-cause ultrasonic scattering processes occurring within a textured titanium aerospace material. A combination of destructive, nondestructive, and computational methods are combined within the ICME framework to collect, holistically integrate, and study complex ultrasound scattering using realistic 2-dimensional representations of the microstructure properties. Progress towards validating the computational sensing methods are discussed, along with insight into the key scattering processes occurring within the bulk microstructure, and how they manifest in pulse-echo immersion ultrasound measurements.

Through Kazan ASPERA to Modern Projects

NASA Astrophysics Data System (ADS)

Gusev, Alexander; Kitiashvili, Irina; Petrova, Natasha

Now the European Union form the Sixth Framework Programme. One of its the objects of the EU Programme is opening national researches and training programmes. The Russian PhD students and young astronomers have business and financial difficulties in access to modern databases and astronomical projects and so they has not been included in European overview of priorities. Modern requirements to the organization of observant projects on powerful telescopes assumes painstaking scientific computer preparation of the application. A rigid competition for observation time assume preliminary computer modeling of target object for success of the application. Kazan AstroGeoPhysics Partnership

Oscillatory Threshold Logic

PubMed Central

Borresen, Jon; Lynch, Stephen

2012-01-01

In the 1940s, the first generation of modern computers used vacuum tube oscillators as their principle components, however, with the development of the transistor, such oscillator based computers quickly became obsolete. As the demand for faster and lower power computers continues, transistors are themselves approaching their theoretical limit and emerging technologies must eventually supersede them. With the development of optical oscillators and Josephson junction technology, we are again presented with the possibility of using oscillators as the basic components of computers, and it is possible that the next generation of computers will be composed almost entirely of oscillatory devices. Here, we demonstrate how coupled threshold oscillators may be used to perform binary logic in a manner entirely consistent with modern computer architectures. We describe a variety of computational circuitry and demonstrate working oscillator models of both computation and memory. PMID:23173034

Double degree master program: Optical Design

NASA Astrophysics Data System (ADS)

Bakholdin, Alexey; Kujawinska, Malgorzata; Livshits, Irina; Styk, Adam; Voznesenskaya, Anna; Ezhova, Kseniia; Ermolayeva, Elena; Ivanova, Tatiana; Romanova, Galina; Tolstoba, Nadezhda

2015-10-01

Modern tendencies of higher education require development of master programs providing achievement of learning outcomes corresponding to quickly variable job market needs. ITMO University represented by Applied and Computer Optics Department and Optical Design and Testing Laboratory jointly with Warsaw University of Technology represented by the Institute of Micromechanics and Photonics at The Faculty of Mechatronics have developed a novel international master double-degree program "Optical Design" accumulating the expertise of both universities including experienced teaching staff, educational technologies, and experimental resources. The program presents studies targeting research and professional activities in high-tech fields connected with optical and optoelectronics devices, optical engineering, numerical methods and computer technologies. This master program deals with the design of optical systems of various types, assemblies and layouts using computer modeling means; investigation of light distribution phenomena; image modeling and formation; development of optical methods for image analysis and optical metrology including optical testing, materials characterization, NDT and industrial control and monitoring. The goal of this program is training a graduate capable to solve a wide range of research and engineering tasks in optical design and metrology leading to modern manufacturing and innovation. Variability of the program structure provides its flexibility and adoption according to current job market demands and personal learning paths for each student. In addition considerable proportion of internship and research expands practical skills. Some special features of the "Optical Design" program which implements the best practices of both Universities, the challenges and lessons learnt during its realization are presented in the paper.

PREFACE: 2nd International Workshop on Theoretical and Computational Physics (IWTCP-2): Modern Methods and Latest Results in Particle Physics, Nuclear Physics and Astrophysics and the 39th National Conference on Theoretical Physics (NCTP-39)

NASA Astrophysics Data System (ADS)

Hoang, Trinh Xuan; Ky, Nguyen Anh; Lan, Nguyen Tri; Viet, Nguyen Ai

2015-06-01

This volume contains selected papers presented at the 2nd International Workshop on Theoretical and Computational Physics (IWTCP-2): Modern Methods and Latest Results in Particle Physics, Nuclear Physics and Astrophysics and the 39th National Conference on Theoretical Physics (NCTP-39). Both the workshop and the conference were held from 28th - 31st July 2014 in Dakruco Hotel, Buon Ma Thuot, Dak Lak, Vietnam. The NCTP-39 and the IWTCP-2 were organized under the support of the Vietnamese Theoretical Physics Society, with a motivation to foster scientific exchanges between the theoretical and computational physicists in Vietnam and worldwide, as well as to promote high-standard level of research and education activities for young physicists in the country. The IWTCP-2 was also an External Activity of the Asia Pacific Center for Theoretical Physics (APCTP). About 100 participants coming from nine countries participated in the workshop and the conference. At the IWTCP-2 workshop, we had 16 invited talks presented by international experts, together with eight oral and ten poster contributions. At the NCTP-39, three invited talks, 15 oral contributions and 39 posters were presented. We would like to thank all invited speakers, participants and sponsors for making the workshop and the conference successful. Trinh Xuan Hoang, Nguyen Anh Ky, Nguyen Tri Lan and Nguyen Ai Viet

Computer aided system for segmentation and visualization of microcalcifications in digital mammograms.

PubMed

Reljin, Branimir; Milosević, Zorica; Stojić, Tomislav; Reljin, Irini

2009-01-01

Two methods for segmentation and visualization of microcalcifications in digital or digitized mammograms are described. First method is based on modern mathematical morphology, while the second one uses the multifractal approach. In the first method, by using an appropriate combination of some morphological operations, high local contrast enhancement, followed by significant suppression of background tissue, irrespective of its radiology density, is obtained. By iterative procedure, this method highly emphasizes only small bright details, possible microcalcifications. In a multifractal approach, from initial mammogram image, a corresponding multifractal "images" are created, from which a radiologist has a freedom to change the level of segmentation. An appropriate user friendly computer aided visualization (CAV) system with embedded two methods is realized. The interactive approach enables the physician to control the level and the quality of segmentation. Suggested methods were tested through mammograms from MIAS database as a gold standard, and from clinical praxis, using digitized films and digital images from full field digital mammograph.

Large-scale-system effectiveness analysis. Final report

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

Patton, A.D.; Ayoub, A.K.; Foster, J.W.

1979-11-01

Objective of the research project has been the investigation and development of methods for calculating system reliability indices which have absolute, and measurable, significance to consumers. Such indices are a necessary prerequisite to any scheme for system optimization which includes the economic consequences of consumer service interruptions. A further area of investigation has been joint consideration of generation and transmission in reliability studies. Methods for finding or estimating the probability distributions of some measures of reliability performance have been developed. The application of modern Monte Carlo simulation methods to compute reliability indices in generating systems has been studied.

Pedagogical effectiveness of innovative teaching methods initiated at the Department of Physiology, Government Medical College, Chandigarh.

PubMed

Nageswari, K Sri; Malhotra, Anita S; Kapoor, Nandini; Kaur, Gurjit

2004-12-01

Modern teaching trends in medical education exhibit a paradigm shift from the conventional classroom teaching methods adopted in the past to nonconventional teaching aids so as to encourage interactive forms of learning in medical students through active participation and integrative reasoning where the relationship of the teacher and the taught has undergone tremendous transformation. Some of the nonconventional teaching methods adopted at our department are learning through active participation by the students through computer-assisted learning (CD-ROMs), Web-based learning (undergraduate projects), virtual laboratories, seminars, audiovisual aids (video-based demonstrations), and "physioquiz."

The Plasma Simulation Code: A modern particle-in-cell code with patch-based load-balancing

NASA Astrophysics Data System (ADS)

Germaschewski, Kai; Fox, William; Abbott, Stephen; Ahmadi, Narges; Maynard, Kristofor; Wang, Liang; Ruhl, Hartmut; Bhattacharjee, Amitava

2016-08-01

This work describes the Plasma Simulation Code (PSC), an explicit, electromagnetic particle-in-cell code with support for different order particle shape functions. We review the basic components of the particle-in-cell method as well as the computational architecture of the PSC code that allows support for modular algorithms and data structure in the code. We then describe and analyze in detail a distinguishing feature of PSC: patch-based load balancing using space-filling curves which is shown to lead to major efficiency gains over unbalanced methods and a previously used simpler balancing method.

Evaluating Modern Defenses Against Control Flow Hijacking

DTIC Science & Technology

2015-09-01

unsound and could introduce false negatives (opening up another possible set of attacks). CFG Construction using DSA We next evaluate the precision of CFG...Evaluating Modern Defenses Against Control Flow Hijacking by Ulziibayar Otgonbaatar Submitted to the Department of Electrical Engineering and...Computer Science in partial fulfillment of the requirements for the degree of Master of Science in Computer Science and Engineering at the MASSACHUSETTS

Translations on Eastern Europe, Scientific Affairs, Number 542.

DTIC Science & Technology

1977-04-18

transplanting human tissue has not as yet been given a final juridical approval like euthanasia, artificial insemination , abortion, birth control, and others...and data teleprocessing. This computer may also be used as a satellite computer for complex systems. The IZOT 310 has a large instruction...a well-known truth that modern science is using the most modern and leading technical facilities—from bathyscaphes to satellites , from gigantic

Resiliency in Future Cyber Combat

DTIC Science & Technology

2016-04-04

including the Internet , telecommunications networks, computer systems, and embed- ded processors and controllers.”6 One important point emerging from the...definition is that while the Internet is part of cyberspace, it is not all of cyberspace. Any computer processor capable of communicating with a...central proces- sor on a modern car are all part of cyberspace, although only some of them are routinely connected to the Internet . Most modern

Microelectromechanical reprogrammable logic device.

PubMed

Hafiz, M A A; Kosuru, L; Younis, M I

2016-03-29

In modern computing, the Boolean logic operations are set by interconnect schemes between the transistors. As the miniaturization in the component level to enhance the computational power is rapidly approaching physical limits, alternative computing methods are vigorously pursued. One of the desired aspects in the future computing approaches is the provision for hardware reconfigurability at run time to allow enhanced functionality. Here we demonstrate a reprogrammable logic device based on the electrothermal frequency modulation scheme of a single microelectromechanical resonator, capable of performing all the fundamental 2-bit logic functions as well as n-bit logic operations. Logic functions are performed by actively tuning the linear resonance frequency of the resonator operated at room temperature and under modest vacuum conditions, reprogrammable by the a.c.-driving frequency. The device is fabricated using complementary metal oxide semiconductor compatible mass fabrication process, suitable for on-chip integration, and promises an alternative electromechanical computing scheme.

Microelectromechanical reprogrammable logic device

PubMed Central

Hafiz, M. A. A.; Kosuru, L.; Younis, M. I.

2016-01-01

In modern computing, the Boolean logic operations are set by interconnect schemes between the transistors. As the miniaturization in the component level to enhance the computational power is rapidly approaching physical limits, alternative computing methods are vigorously pursued. One of the desired aspects in the future computing approaches is the provision for hardware reconfigurability at run time to allow enhanced functionality. Here we demonstrate a reprogrammable logic device based on the electrothermal frequency modulation scheme of a single microelectromechanical resonator, capable of performing all the fundamental 2-bit logic functions as well as n-bit logic operations. Logic functions are performed by actively tuning the linear resonance frequency of the resonator operated at room temperature and under modest vacuum conditions, reprogrammable by the a.c.-driving frequency. The device is fabricated using complementary metal oxide semiconductor compatible mass fabrication process, suitable for on-chip integration, and promises an alternative electromechanical computing scheme. PMID:27021295

ESIF 2016: Modernizing Our Grid and Energy System

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

Van Becelaere, Kimberly

This 2016 annual report highlights work conducted at the Energy Systems Integration Facility (ESIF) in FY 2016, including grid modernization, high-performance computing and visualization, and INTEGRATE projects.

Computer Technology: State of the Art.

ERIC Educational Resources Information Center

Withington, Frederic G.

1981-01-01

Describes the nature of modern general-purpose computer systems, including hardware, semiconductor electronics, microprocessors, computer architecture, input output technology, and system control programs. Seven suggested readings are cited. (FM)

A Parallel Numerical Micromagnetic Code Using FEniCS

NASA Astrophysics Data System (ADS)

Nagy, L.; Williams, W.; Mitchell, L.

2013-12-01

Many problems in the geosciences depend on understanding the ability of magnetic minerals to provide stable paleomagnetic recordings. Numerical micromagnetic modelling allows us to calculate the domain structures found in naturally occurring magnetic materials. However the computational cost rises exceedingly quickly with respect to the size and complexity of the geometries that we wish to model. This problem is compounded by the fact that the modern processor design no longer focuses on the speed at which calculations are performed, but rather on the number of computational units amongst which we may distribute our calculations. Consequently to better exploit modern computational resources our micromagnetic simulations must "go parallel". We present a parallel and scalable micromagnetics code written using FEniCS. FEniCS is a multinational collaboration involving several institutions (University of Cambridge, University of Chicago, The Simula Research Laboratory, etc.) that aims to provide a set of tools for writing scientific software; in particular software that employs the finite element method. The advantages of this approach are the leveraging of pre-existing projects from the world of scientific computing (PETSc, Trilinos, Metis/Parmetis, etc.) and exposing these so that researchers may pose problems in a manner closer to the mathematical language of their domain. Our code provides a scriptable interface (in Python) that allows users to not only run micromagnetic models in parallel, but also to perform pre/post processing of data.

An Intelligent Systems Approach to Automated Object Recognition: A Preliminary Study

USGS Publications Warehouse

Maddox, Brian G.; Swadley, Casey L.

2002-01-01

Attempts at fully automated object recognition systems have met with varying levels of success over the years. However, none of the systems have achieved high enough accuracy rates to be run unattended. One of the reasons for this may be that they are designed from the computer's point of view and rely mainly on image-processing methods. A better solution to this problem may be to make use of modern advances in computational intelligence and distributed processing to try to mimic how the human brain is thought to recognize objects. As humans combine cognitive processes with detection techniques, such a system would combine traditional image-processing techniques with computer-based intelligence to determine the identity of various objects in a scene.

GPU accelerated FDTD solver and its application in MRI.

PubMed

Chi, J; Liu, F; Jin, J; Mason, D G; Crozier, S

2010-01-01

The finite difference time domain (FDTD) method is a popular technique for computational electromagnetics (CEM). The large computational power often required, however, has been a limiting factor for its applications. In this paper, we will present a graphics processing unit (GPU)-based parallel FDTD solver and its successful application to the investigation of a novel B1 shimming scheme for high-field magnetic resonance imaging (MRI). The optimized shimming scheme exhibits considerably improved transmit B(1) profiles. The GPU implementation dramatically shortened the runtime of FDTD simulation of electromagnetic field compared with its CPU counterpart. The acceleration in runtime has made such investigation possible, and will pave the way for other studies of large-scale computational electromagnetic problems in modern MRI which were previously impractical.

Implementation and evaluation of the Level Set method: Towards efficient and accurate simulation of wet etching for microengineering applications

NASA Astrophysics Data System (ADS)

Montoliu, C.; Ferrando, N.; Gosálvez, M. A.; Cerdá, J.; Colom, R. J.

2013-10-01

The use of atomistic methods, such as the Continuous Cellular Automaton (CCA), is currently regarded as a computationally efficient and experimentally accurate approach for the simulation of anisotropic etching of various substrates in the manufacture of Micro-electro-mechanical Systems (MEMS). However, when the features of the chemical process are modified, a time-consuming calibration process needs to be used to transform the new macroscopic etch rates into a corresponding set of atomistic rates. Furthermore, changing the substrate requires a labor-intensive effort to reclassify most atomistic neighborhoods. In this context, the Level Set (LS) method provides an alternative approach where the macroscopic forces affecting the front evolution are directly applied at the discrete level, thus avoiding the need for reclassification and/or calibration. Correspondingly, we present a fully-operational Sparse Field Method (SFM) implementation of the LS approach, discussing in detail the algorithm and providing a thorough characterization of the computational cost and simulation accuracy, including a comparison to the performance by the most recent CCA model. We conclude that the SFM implementation achieves similar accuracy as the CCA method with less fluctuations in the etch front and requiring roughly 4 times less memory. Although SFM can be up to 2 times slower than CCA for the simulation of anisotropic etchants, it can also be up to 10 times faster than CCA for isotropic etchants. In addition, we present a parallel, GPU-based implementation (gSFM) and compare it to an optimized, multicore CPU version (cSFM), demonstrating that the SFM algorithm can be successfully parallelized and the simulation times consequently reduced, while keeping the accuracy of the simulations. Although modern multicore CPUs provide an acceptable option, the massively parallel architecture of modern GPUs is more suitable, as reflected by computational times for gSFM up to 7.4 times faster than for cSFM.

Modern drug discovery technologies: opportunities and challenges in lead discovery.

PubMed

Guido, Rafael V C; Oliva, Glaucius; Andricopulo, Adriano D

2011-12-01

The identification of promising hits and the generation of high quality leads are crucial steps in the early stages of drug discovery projects. The definition and assessment of both chemical and biological space have revitalized the screening process model and emphasized the importance of exploring the intrinsic complementary nature of classical and modern methods in drug research. In this context, the widespread use of combinatorial chemistry and sophisticated screening methods for the discovery of lead compounds has created a large demand for small organic molecules that act on specific drug targets. Modern drug discovery involves the employment of a wide variety of technologies and expertise in multidisciplinary research teams. The synergistic effects between experimental and computational approaches on the selection and optimization of bioactive compounds emphasize the importance of the integration of advanced technologies in drug discovery programs. These technologies (VS, HTS, SBDD, LBDD, QSAR, and so on) are complementary in the sense that they have mutual goals, thereby the combination of both empirical and in silico efforts is feasible at many different levels of lead optimization and new chemical entity (NCE) discovery. This paper provides a brief perspective on the evolution and use of key drug design technologies, highlighting opportunities and challenges.

Developing an evidence-based curriculum designed to help psychiatric nurses learn to use computers and the Internet.

PubMed

Koivunen, Marita; Välimäki, Maritta; Jakobsson, Tiina; Pitkänen, Anneli

2008-01-01

This article describes the systematic process in which an evidence-based approach was used to develop a curriculum designed to support the computer and Internet skills of nurses in psychiatric hospitals in Finland. The pressure on organizations to have skilled and motivated nurses who use modern information and communication technology in health care organizations has increased due to rapid technology development at the international and national levels. However, less frequently has the development of those computer education curricula been based on evidence-based knowledge. First, we identified psychiatric nurses' learning experiences and barriers to computer use by examining written essays. Second, nurses' computer skills were surveyed. Last, evidence from the literature was scrutinized to find effective methods that can be used to teach and learn computer use in health care. This information was integrated and used for the development process of an education curriculum designed to support nurses' computer and Internet skills.

Database Design and Management in Engineering Optimization.

DTIC Science & Technology

1988-02-01

scientific and engineer- Q.- ’ method In the mid-19SOs along with modern digital com- ing applications. The paper highlights the difference puters, have made...is continuously tion software can call standard subroutines from the DBMS redefined in an application program, DDL must have j libary to define...operations. .. " type data usually encountered in engineering applications. GFDGT: Computes the number of digits needed to display " "’ A user

Civil and mechanical engineering applications of sensitivity analysis

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

Komkov, V.

1985-07-01

In this largely tutorial presentation, the historical development of optimization theories has been outlined as they applied to mechanical and civil engineering designs and the development of modern sensitivity techniques during the last 20 years has been traced. Some of the difficulties and the progress made in overcoming them have been outlined. Some of the recently developed theoretical methods have been stressed to indicate their importance to computer-aided design technology.

Column Subset Selection, Matrix Factorization, and Eigenvalue Optimization

DTIC Science & Technology

2008-07-01

Pietsch and Grothendieck, which are regarded as basic instruments in modern functional analysis [Pis86]. • The methods for computing these... Pietsch factorization and the maxcut semi- definite program [GW95]. 1.2. Overview. We focus on the algorithmic version of the Kashin–Tzafriri theorem...will see that the desired subset is exposed by factoring the random submatrix. This factorization, which was invented by Pietsch , is regarded as a basic

WE-D-303-01: Development and Application of Digital Human Phantoms

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

Segars, P.

2015-06-15

Modern medical physics deals with complex problems such as 4D radiation therapy and imaging quality optimization. Such problems involve a large number of radiological parameters, and anatomical and physiological breathing patterns. A major challenge is how to develop, test, evaluate and compare various new imaging and treatment techniques, which often involves testing over a large range of radiological parameters as well as varying patient anatomies and motions. It would be extremely challenging, if not impossible, both ethically and practically, to test every combination of parameters and every task on every type of patient under clinical conditions. Computer-based simulation using computationalmore » phantoms offers a practical technique with which to evaluate, optimize, and compare imaging technologies and methods. Within simulation, the computerized phantom provides a virtual model of the patient’s anatomy and physiology. Imaging data can be generated from it as if it was a live patient using accurate models of the physics of the imaging and treatment process. With sophisticated simulation algorithms, it is possible to perform virtual experiments entirely on the computer. By serving as virtual patients, computational phantoms hold great promise in solving some of the most complex problems in modern medical physics. In this proposed symposium, we will present the history and recent developments of computational phantom models, share experiences in their application to advanced imaging and radiation applications, and discuss their promises and limitations. Learning Objectives: Understand the need and requirements of computational phantoms in medical physics research Discuss the developments and applications of computational phantoms Know the promises and limitations of computational phantoms in solving complex problems.« less

An evaluation of multi-probe locality sensitive hashing for computing similarities over web-scale query logs.

PubMed

Cormode, Graham; Dasgupta, Anirban; Goyal, Amit; Lee, Chi Hoon

2018-01-01

Many modern applications of AI such as web search, mobile browsing, image processing, and natural language processing rely on finding similar items from a large database of complex objects. Due to the very large scale of data involved (e.g., users' queries from commercial search engines), computing such near or nearest neighbors is a non-trivial task, as the computational cost grows significantly with the number of items. To address this challenge, we adopt Locality Sensitive Hashing (a.k.a, LSH) methods and evaluate four variants in a distributed computing environment (specifically, Hadoop). We identify several optimizations which improve performance, suitable for deployment in very large scale settings. The experimental results demonstrate our variants of LSH achieve the robust performance with better recall compared with "vanilla" LSH, even when using the same amount of space.

Design of cylindrical pipe automatic welding control system based on STM32

NASA Astrophysics Data System (ADS)

Chen, Shuaishuai; Shen, Weicong

2018-04-01

The development of modern economy makes the demand for pipeline construction and construction rapidly increasing, and the pipeline welding has become an important link in pipeline construction. At present, there are still a large number of using of manual welding methods at home and abroad, and field pipe welding especially lacks miniature and portable automatic welding equipment. An automated welding system consists of a control system, which consisting of a lower computer control panel and a host computer operating interface, as well as automatic welding machine mechanisms and welding power systems in coordination with the control system. In this paper, a new control system of automatic pipe welding based on the control panel of the lower computer and the interface of the host computer is proposed, which has many advantages over the traditional automatic welding machine.

Jaccard distance based weighted sparse representation for coarse-to-fine plant species recognition.

PubMed

Zhang, Shanwen; Wu, Xiaowei; You, Zhuhong

2017-01-01

Leaf based plant species recognition plays an important role in ecological protection, however its application to large and modern leaf databases has been a long-standing obstacle due to the computational cost and feasibility. Recognizing such limitations, we propose a Jaccard distance based sparse representation (JDSR) method which adopts a two-stage, coarse to fine strategy for plant species recognition. In the first stage, we use the Jaccard distance between the test sample and each training sample to coarsely determine the candidate classes of the test sample. The second stage includes a Jaccard distance based weighted sparse representation based classification(WSRC), which aims to approximately represent the test sample in the training space, and classify it by the approximation residuals. Since the training model of our JDSR method involves much fewer but more informative representatives, this method is expected to overcome the limitation of high computational and memory costs in traditional sparse representation based classification. Comparative experimental results on a public leaf image database demonstrate that the proposed method outperforms other existing feature extraction and SRC based plant recognition methods in terms of both accuracy and computational speed.

MPACT Standard Input User s Manual, Version 2.2.0

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

Collins, Benjamin S.; Downar, Thomas; Fitzgerald, Andrew

The MPACT (Michigan PArallel Charactistics based Transport) code is designed to perform high-fidelity light water reactor (LWR) analysis using whole-core pin-resolved neutron transport calculations on modern parallel-computing hardware. The code consists of several libraries which provide the functionality necessary to solve steady-state eigenvalue problems. Several transport capabilities are available within MPACT including both 2-D and 3-D Method of Characteristics (MOC). A three-dimensional whole core solution based on the 2D-1D solution method provides the capability for full core depletion calculations.

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

Cary, J.R.

During the most recent funding period the authors obtained results important for helical confinement systems and in the use of modern computational methods for modeling of fusion systems. The most recent results include showing that the set of magnetic field functions that are omnigenous (i.e., the bounce-average drift lies within the flux surface) and, therefore, have good transport properties, is much larger than the set of quasihelical systems. This is important as quasihelical systems exist only for large aspect ratio. The authors have also carried out extensive earlier work on developing integrable three-dimensional magnetic fields, on trajectories in three-dimensional configurations,more » and on the existence of three-dimensional MHD equilibria close to vacuum integrable fields. At the same time they have been investigating the use of object oriented methods for scientific computing.« less

Metabolic reconstruction, constraint-based analysis and game theory to probe genome-scale metabolic networks.

PubMed

Ruppin, Eytan; Papin, Jason A; de Figueiredo, Luis F; Schuster, Stefan

2010-08-01

With the advent of modern omics technologies, it has become feasible to reconstruct (quasi-) whole-cell metabolic networks and characterize them in more and more detail. Computer simulations of the dynamic behavior of such networks are difficult due to a lack of kinetic data and to computational limitations. In contrast, network analysis based on appropriate constraints such as the steady-state condition (constraint-based analysis) is feasible and allows one to derive conclusions about the system's metabolic capabilities. Here, we review methods for the reconstruction of metabolic networks, modeling techniques such as flux balance analysis and elementary flux modes and current progress in their development and applications. Game-theoretical methods for studying metabolic networks are discussed as well. Copyright © 2010 Elsevier Ltd. All rights reserved.

Techniques of EMG signal analysis: detection, processing, classification and applications

PubMed Central

Hussain, M.S.; Mohd-Yasin, F.

2006-01-01

Electromyography (EMG) signals can be used for clinical/biomedical applications, Evolvable Hardware Chip (EHW) development, and modern human computer interaction. EMG signals acquired from muscles require advanced methods for detection, decomposition, processing, and classification. The purpose of this paper is to illustrate the various methodologies and algorithms for EMG signal analysis to provide efficient and effective ways of understanding the signal and its nature. We further point up some of the hardware implementations using EMG focusing on applications related to prosthetic hand control, grasp recognition, and human computer interaction. A comparison study is also given to show performance of various EMG signal analysis methods. This paper provides researchers a good understanding of EMG signal and its analysis procedures. This knowledge will help them develop more powerful, flexible, and efficient applications. PMID:16799694

Computing in Hydraulic Engineering Education

NASA Astrophysics Data System (ADS)

Duan, J. G.

2011-12-01

Civil engineers, pioneers of our civilization, are rarely perceived as leaders and innovators in modern society because of retardations in technology innovation. This crisis has resulted in the decline of the prestige of civil engineering profession, reduction of federal funding on deteriorating infrastructures, and problems with attracting the most talented high-school students. Infusion of cutting-edge computer technology and stimulating creativity and innovation therefore are the critical challenge to civil engineering education. To better prepare our graduates to innovate, this paper discussed the adaption of problem-based collaborative learning technique and integration of civil engineering computing into a traditional civil engineering curriculum. Three interconnected courses: Open Channel Flow, Computational Hydraulics, and Sedimentation Engineering, were developed with emphasis on computational simulations. In Open Channel flow, the focuses are principles of free surface flow and the application of computational models. This prepares students to the 2nd course, Computational Hydraulics, that introduce the fundamental principles of computational hydraulics, including finite difference and finite element methods. This course complements the Open Channel Flow class to provide students with in-depth understandings of computational methods. The 3rd course, Sedimentation Engineering, covers the fundamentals of sediment transport and river engineering, so students can apply the knowledge and programming skills gained from previous courses to develop computational models for simulating sediment transport. These courses effectively equipped students with important skills and knowledge to complete thesis and dissertation research.

Accelerating nuclear configuration interaction calculations through a preconditioned block iterative eigensolver

DOE PAGES

Shao, Meiyue; Aktulga, H.  Metin; Yang, Chao; ...

2017-09-14

In this paper, we describe a number of recently developed techniques for improving the performance of large-scale nuclear configuration interaction calculations on high performance parallel computers. We show the benefit of using a preconditioned block iterative method to replace the Lanczos algorithm that has traditionally been used to perform this type of computation. The rapid convergence of the block iterative method is achieved by a proper choice of starting guesses of the eigenvectors and the construction of an effective preconditioner. These acceleration techniques take advantage of special structure of the nuclear configuration interaction problem which we discuss in detail. Themore » use of a block method also allows us to improve the concurrency of the computation, and take advantage of the memory hierarchy of modern microprocessors to increase the arithmetic intensity of the computation relative to data movement. Finally, we also discuss the implementation details that are critical to achieving high performance on massively parallel multi-core supercomputers, and demonstrate that the new block iterative solver is two to three times faster than the Lanczos based algorithm for problems of moderate sizes on a Cray XC30 system.« less

Accelerating nuclear configuration interaction calculations through a preconditioned block iterative eigensolver

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

Shao, Meiyue; Aktulga, H.  Metin; Yang, Chao

In this paper, we describe a number of recently developed techniques for improving the performance of large-scale nuclear configuration interaction calculations on high performance parallel computers. We show the benefit of using a preconditioned block iterative method to replace the Lanczos algorithm that has traditionally been used to perform this type of computation. The rapid convergence of the block iterative method is achieved by a proper choice of starting guesses of the eigenvectors and the construction of an effective preconditioner. These acceleration techniques take advantage of special structure of the nuclear configuration interaction problem which we discuss in detail. Themore » use of a block method also allows us to improve the concurrency of the computation, and take advantage of the memory hierarchy of modern microprocessors to increase the arithmetic intensity of the computation relative to data movement. Finally, we also discuss the implementation details that are critical to achieving high performance on massively parallel multi-core supercomputers, and demonstrate that the new block iterative solver is two to three times faster than the Lanczos based algorithm for problems of moderate sizes on a Cray XC30 system.« less

Spatiotemporal video deinterlacing using control grid interpolation

NASA Astrophysics Data System (ADS)

Venkatesan, Ragav; Zwart, Christine M.; Frakes, David H.; Li, Baoxin

2015-03-01

With the advent of progressive format display and broadcast technologies, video deinterlacing has become an important video-processing technique. Numerous approaches exist in the literature to accomplish deinterlacing. While most earlier methods were simple linear filtering-based approaches, the emergence of faster computing technologies and even dedicated video-processing hardware in display units has allowed higher quality but also more computationally intense deinterlacing algorithms to become practical. Most modern approaches analyze motion and content in video to select different deinterlacing methods for various spatiotemporal regions. We introduce a family of deinterlacers that employs spectral residue to choose between and weight control grid interpolation based spatial and temporal deinterlacing methods. The proposed approaches perform better than the prior state-of-the-art based on peak signal-to-noise ratio, other visual quality metrics, and simple perception-based subjective evaluations conducted by human viewers. We further study the advantages of using soft and hard decision thresholds on the visual performance.

Characterization and Developmental History of Problem Solving Methods in Medicine

PubMed Central

Harbort, Robert A.

1980-01-01

The central thesis of this paper is the importance of the framework in which information is structured. It is technically important in the design of systems; it is also important in guaranteeing that systems are usable by clinicians. Progress in medical computing depends on our ability to develop a more quantitative understanding of the role of context in our choice of problem solving techniques. This in turn will help us to design more flexible and responsive computer systems. The paper contains an overview of some models of knowledge and problem solving methods, a characterization of modern diagnostic techniques, and a discussion of skill development in medical practice. Diagnostic techniques are examined in terms of how they are taught, what problem solving methods they use, and how they fit together into an overall theory of interpretation of the medical status of a patient.

Pre- and postprocessing techniques for determining goodness of computational meshes

NASA Technical Reports Server (NTRS)

Oden, J. Tinsley; Westermann, T.; Bass, J. M.

1993-01-01

Research in error estimation, mesh conditioning, and solution enhancement for finite element, finite difference, and finite volume methods has been incorporated into AUDITOR, a modern, user-friendly code, which operates on 2D and 3D unstructured neutral files to improve the accuracy and reliability of computational results. Residual error estimation capabilities provide local and global estimates of solution error in the energy norm. Higher order results for derived quantities may be extracted from initial solutions. Within the X-MOTIF graphical user interface, extensive visualization capabilities support critical evaluation of results in linear elasticity, steady state heat transfer, and both compressible and incompressible fluid dynamics.

Computer vision applications for coronagraphic optical alignment and image processing.

PubMed

Savransky, Dmitry; Thomas, Sandrine J; Poyneer, Lisa A; Macintosh, Bruce A

2013-05-10

Modern coronagraphic systems require very precise alignment between optical components and can benefit greatly from automated image processing. We discuss three techniques commonly employed in the fields of computer vision and image analysis as applied to the Gemini Planet Imager, a new facility instrument for the Gemini South Observatory. We describe how feature extraction and clustering methods can be used to aid in automated system alignment tasks, and also present a search algorithm for finding regular features in science images used for calibration and data processing. Along with discussions of each technique, we present our specific implementation and show results of each one in operation.

[Psychogenetic neurological disorders in draft age personnel].

PubMed

Akhmetianov, L A; Ovchinnikov, A V

2012-07-01

The tendency of psychogenetic neurological disorders increases with predominance in young persons being students of high schools, students of military, technical and other lyceum was shown. The origin of diseases are psychotraumas (family, work), stress. Also genetic and hereditary factors take place that are indicative for individual rehabilitation organization. The basics of psychosomatic diseases pathogenesis are the disintegration mechanisms in brain structure activity,the disorders of integrative apparatus which provides the relationship between somatic, emotional and vegetative functions. The confirmation of brain work disintegration is achieved by modern computer diagnostic systems. As psychogenic diseases increase the need in methods of computer electroencephalography, evoked potentials, and rheoencephalography application is more actual.

Modern quantitative schlieren techniques

NASA Astrophysics Data System (ADS)

Hargather, Michael; Settles, Gary

2010-11-01

Schlieren optical techniques have traditionally been used to qualitatively visualize refractive flowfields in transparent media. Modern schlieren optics, however, are increasingly focused on obtaining quantitative information such as temperature and density fields in a flow -- once the sole purview of interferometry -- without the need for coherent illumination. Quantitative data are obtained from schlieren images by integrating the measured refractive index gradient to obtain the refractive index field in an image. Ultimately this is converted to a density or temperature field using the Gladstone-Dale relationship, an equation of state, and geometry assumptions for the flowfield of interest. Several quantitative schlieren methods are reviewed here, including background-oriented schlieren (BOS), schlieren using a weak lens as a "standard," and "rainbow schlieren." Results are presented for the application of these techniques to measure density and temperature fields across a supersonic turbulent boundary layer and a low-speed free-convection boundary layer in air. Modern equipment, including digital cameras, LED light sources, and computer software that make this possible are also discussed.

The Computation of Global Viscoelastic Co- and Post-seismic Displacement in a Realistic Earth Model by Straightforward Numerical Inverse Laplace Integration

NASA Astrophysics Data System (ADS)

Tang, H.; Sun, W.

2016-12-01

The theoretical computation of dislocation theory in a given earth model is necessary in the explanation of observations of the co- and post-seismic deformation of earthquakes. For this purpose, computation theories based on layered or pure half space [Okada, 1985; Okubo, 1992; Wang et al., 2006] and on spherically symmetric earth [Piersanti et al., 1995; Pollitz, 1997; Sabadini & Vermeersen, 1997; Wang, 1999] have been proposed. It is indicated that the compressibility, curvature and the continuous variation of the radial structure of Earth should be simultaneously taken into account for modern high precision displacement-based observations like GPS. Therefore, Tanaka et al. [2006; 2007] computed global displacement and gravity variation by combining the reciprocity theorem (RPT) [Okubo, 1993] and numerical inverse Laplace integration (NIL) instead of the normal mode method [Peltier, 1974]. Without using RPT, we follow the straightforward numerical integration of co-seismic deformation given by Sun et al. [1996] to present a straightforward numerical inverse Laplace integration method (SNIL). This method is used to compute the co- and post-seismic displacement of point dislocations buried in a spherically symmetric, self-gravitating viscoelastic and multilayered earth model and is easy to extended to the application of geoid and gravity. Comparing with pre-existing method, this method is relatively more straightforward and time-saving, mainly because we sum associated Legendre polynomials and dislocation love numbers before using Riemann-Merlin formula to implement SNIL.

Cosmological neutrino simulations at extreme scale

DOE PAGES

Emberson, J. D.; Yu, Hao-Ran; Inman, Derek; ...

2017-08-01

Constraining neutrino mass remains an elusive challenge in modern physics. Precision measurements are expected from several upcoming cosmological probes of large-scale structure. Achieving this goal relies on an equal level of precision from theoretical predictions of neutrino clustering. Numerical simulations of the non-linear evolution of cold dark matter and neutrinos play a pivotal role in this process. We incorporate neutrinos into the cosmological N-body code CUBEP3M and discuss the challenges associated with pushing to the extreme scales demanded by the neutrino problem. We highlight code optimizations made to exploit modern high performance computing architectures and present a novel method ofmore » data compression that reduces the phase-space particle footprint from 24 bytes in single precision to roughly 9 bytes. We scale the neutrino problem to the Tianhe-2 supercomputer and provide details of our production run, named TianNu, which uses 86% of the machine (13,824 compute nodes). With a total of 2.97 trillion particles, TianNu is currently the world’s largest cosmological N-body simulation and improves upon previous neutrino simulations by two orders of magnitude in scale. We finish with a discussion of the unanticipated computational challenges that were encountered during the TianNu runtime.« less

A Parallel Distributed-Memory Particle Method Enables Acquisition-Rate Segmentation of Large Fluorescence Microscopy Images

PubMed Central

Afshar, Yaser; Sbalzarini, Ivo F.

2016-01-01

Modern fluorescence microscopy modalities, such as light-sheet microscopy, are capable of acquiring large three-dimensional images at high data rate. This creates a bottleneck in computational processing and analysis of the acquired images, as the rate of acquisition outpaces the speed of processing. Moreover, images can be so large that they do not fit the main memory of a single computer. We address both issues by developing a distributed parallel algorithm for segmentation of large fluorescence microscopy images. The method is based on the versatile Discrete Region Competition algorithm, which has previously proven useful in microscopy image segmentation. The present distributed implementation decomposes the input image into smaller sub-images that are distributed across multiple computers. Using network communication, the computers orchestrate the collectively solving of the global segmentation problem. This not only enables segmentation of large images (we test images of up to 1010 pixels), but also accelerates segmentation to match the time scale of image acquisition. Such acquisition-rate image segmentation is a prerequisite for the smart microscopes of the future and enables online data compression and interactive experiments. PMID:27046144

A Parallel Distributed-Memory Particle Method Enables Acquisition-Rate Segmentation of Large Fluorescence Microscopy Images.

PubMed

Afshar, Yaser; Sbalzarini, Ivo F

2016-01-01

Modern fluorescence microscopy modalities, such as light-sheet microscopy, are capable of acquiring large three-dimensional images at high data rate. This creates a bottleneck in computational processing and analysis of the acquired images, as the rate of acquisition outpaces the speed of processing. Moreover, images can be so large that they do not fit the main memory of a single computer. We address both issues by developing a distributed parallel algorithm for segmentation of large fluorescence microscopy images. The method is based on the versatile Discrete Region Competition algorithm, which has previously proven useful in microscopy image segmentation. The present distributed implementation decomposes the input image into smaller sub-images that are distributed across multiple computers. Using network communication, the computers orchestrate the collectively solving of the global segmentation problem. This not only enables segmentation of large images (we test images of up to 10(10) pixels), but also accelerates segmentation to match the time scale of image acquisition. Such acquisition-rate image segmentation is a prerequisite for the smart microscopes of the future and enables online data compression and interactive experiments.

How Computer Graphics Work.

ERIC Educational Resources Information Center

Prosise, Jeff

This document presents the principles behind modern computer graphics without straying into the arcane languages of mathematics and computer science. Illustrations accompany the clear, step-by-step explanations that describe how computers draw pictures. The 22 chapters of the book are organized into 5 sections. "Part 1: Computer Graphics in…

Analysis of Defenses Against Code Reuse Attacks on Modern and New Architectures

DTIC Science & Technology

2015-09-01

soundness or completeness. An incomplete analysis will produce extra edges in the CFG that might allow an attacker to slip through. An unsound analysis...Analysis of Defenses Against Code Reuse Attacks on Modern and New Architectures by Isaac Noah Evans Submitted to the Department of Electrical...Engineering and Computer Science in partial fulfillment of the requirements for the degree of Master of Engineering in Electrical Engineering and Computer

Body metaphors--reading the body in contemporary culture.

PubMed

Skara, Danica

2004-01-01

This paper addresses the linguistic reframing of the human body in contemporary culture. Our aim is to provide a linguistic description of the ways in which the body is represented in modern English language. First, we will try to focus on body metaphors in general. We have collected a sample of 300 words and phrases functioning as body metaphors in modern English language. Reading the symbolism of the body we are witnessing changes in the basic metaphorical structuring of the human body. The results show that new vocabulary binds different fields of knowledge associated with machines and human beings according to a shared textual frame: human as computer and computer as human metaphor. Humans are almost blended with computers and vice versa. This metaphorical use of the human body and its parts reveals not only currents of unconscious though but also the structures of modern society and culture.

Targeted prodrugs in oral drug delivery: the modern molecular biopharmaceutical approach.

PubMed

Dahan, Arik; Khamis, Mustafa; Agbaria, Riad; Karaman, Rafik

2012-08-01

The molecular revolution greatly impacted the field of drug design and delivery in general, and the utilization of the prodrug approach in particular. The increasing understanding of membrane transporters has promoted a novel 'targeted-prodrug' approach utilizing carrier-mediated transport to increase intestinal permeability, as well as specific enzymes to promote activation to the parent drug. This article provides the reader with a concise overview of this modern approach to prodrug design. Targeting the oligopeptide transporter PEPT1 for absorption and the serine hydrolase valacyclovirase for activation will be presented as examples for the successful utilization of this approach. Additionally, the use of computational approaches, such as DFT and ab initio molecular orbital methods, in modern prodrugs design will be discussed. Overall, in the coming years, more and more information will undoubtedly become available regarding intestinal transporters and potential enzymes that may be exploited for the targeted modern prodrug approach. Hence, the concept of prodrug design can no longer be viewed as merely a chemical modification to solve problems associated with parent compounds. Rather, it opens promising opportunities for precise and efficient drug delivery, as well as enhancement of treatment options and therapeutic efficacy.

Analytical techniques for identification and study of organic matter in returned lunar samples

NASA Technical Reports Server (NTRS)

Burlingame, A. L.

1974-01-01

The results of geochemical research are reviewed. Emphasis is placed on the contribution of mass spectrometric data to the solution of specific structural problems. Information on the mass spectrometric behavior of compounds of geochemical interest is reviewed and currently available techniques of particular importance to geochemistry, such as gas chromatograph-mass spectrometer coupling, modern sample introduction methods, and computer application in high resolution mass spectrometry, receive particular attention.

Toward computational crime prediction. Comment on "Statistical physics of crime: A review" by M.R. D'Orsogna and M. Perc

NASA Astrophysics Data System (ADS)

Ferrara, Emilio

2015-03-01

Containing the spreading of crime in modern society in an ongoing battle: our understanding of the dynamics underlying criminal events and the motifs behind individuals therein involved is crucial to design cost-effective prevention policies and intervention strategies. During recent years we witnessed various research fields joining forces, sharing models and methods, toward modeling and quantitatively characterizing crime and criminal behavior.

New trends in Taylor series based applications

NASA Astrophysics Data System (ADS)

Kocina, Filip; Šátek, Václav; Veigend, Petr; Nečasová, Gabriela; Valenta, Václav; Kunovský, Jiří

2016-06-01

The paper deals with the solution of large system of linear ODEs when minimal comunication among parallel processors is required. The Modern Taylor Series Method (MTSM) is used. The MTSM allows using a higher order during the computation that means a larger integration step size while keeping desired accuracy. As an example of complex systems we can take the Telegraph Equation Model. Symbolic and numeric solutions are compared when harmonic input signal is used.

Federal Aviation Administration : challenges in modernizing the agency

DOT National Transportation Integrated Search

2000-02-01

FAA's efforts to implement initiatives in five key areas-air traffic control modernization, procurement and personnel reform, aviation safety, aviation and computer security, and financial management-have met with limited success. For example, FAA ha...

Preparing Dairy Technologists

ERIC Educational Resources Information Center

Sliva, William R.

1977-01-01

The size of modern dairy plant operations has led to extreme specialization in product manufacturing, milk processing, microbiological analysis, chemical and mathematical computations. Morrisville Agricultural and Technical College, New York, has modernized its curricula to meet these changes. (HD)

Analysis of impact of general-purpose graphics processor units in supersonic flow modeling

NASA Astrophysics Data System (ADS)

Emelyanov, V. N.; Karpenko, A. G.; Kozelkov, A. S.; Teterina, I. V.; Volkov, K. N.; Yalozo, A. V.

2017-06-01

Computational methods are widely used in prediction of complex flowfields associated with off-normal situations in aerospace engineering. Modern graphics processing units (GPU) provide architectures and new programming models that enable to harness their large processing power and to design computational fluid dynamics (CFD) simulations at both high performance and low cost. Possibilities of the use of GPUs for the simulation of external and internal flows on unstructured meshes are discussed. The finite volume method is applied to solve three-dimensional unsteady compressible Euler and Navier-Stokes equations on unstructured meshes with high resolution numerical schemes. CUDA technology is used for programming implementation of parallel computational algorithms. Solutions of some benchmark test cases on GPUs are reported, and the results computed are compared with experimental and computational data. Approaches to optimization of the CFD code related to the use of different types of memory are considered. Speedup of solution on GPUs with respect to the solution on central processor unit (CPU) is compared. Performance measurements show that numerical schemes developed achieve 20-50 speedup on GPU hardware compared to CPU reference implementation. The results obtained provide promising perspective for designing a GPU-based software framework for applications in CFD.

Student Perceived Importance and Correlations of Selected Computer Literacy Course Topics

ERIC Educational Resources Information Center

Ciampa, Mark

2013-01-01

Traditional college-level courses designed to teach computer literacy are in a state of flux. Today's students have high rates of access to computing technology and computer ownership, leading many policy decision makers to conclude that students already are computer literate and thus computer literacy courses are dinosaurs in a modern digital…

Multi-GPU Jacobian accelerated computing for soft-field tomography.

PubMed

Borsic, A; Attardo, E A; Halter, R J

2012-10-01

Image reconstruction in soft-field tomography is based on an inverse problem formulation, where a forward model is fitted to the data. In medical applications, where the anatomy presents complex shapes, it is common to use finite element models (FEMs) to represent the volume of interest and solve a partial differential equation that models the physics of the system. Over the last decade, there has been a shifting interest from 2D modeling to 3D modeling, as the underlying physics of most problems are 3D. Although the increased computational power of modern computers allows working with much larger FEM models, the computational time required to reconstruct 3D images on a fine 3D FEM model can be significant, on the order of hours. For example, in electrical impedance tomography (EIT) applications using a dense 3D FEM mesh with half a million elements, a single reconstruction iteration takes approximately 15-20 min with optimized routines running on a modern multi-core PC. It is desirable to accelerate image reconstruction to enable researchers to more easily and rapidly explore data and reconstruction parameters. Furthermore, providing high-speed reconstructions is essential for some promising clinical application of EIT. For 3D problems, 70% of the computing time is spent building the Jacobian matrix, and 25% of the time in forward solving. In this work, we focus on accelerating the Jacobian computation by using single and multiple GPUs. First, we discuss an optimized implementation on a modern multi-core PC architecture and show how computing time is bounded by the CPU-to-memory bandwidth; this factor limits the rate at which data can be fetched by the CPU. Gains associated with the use of multiple CPU cores are minimal, since data operands cannot be fetched fast enough to saturate the processing power of even a single CPU core. GPUs have much faster memory bandwidths compared to CPUs and better parallelism. We are able to obtain acceleration factors of 20 times on a single NVIDIA S1070 GPU, and of 50 times on four GPUs, bringing the Jacobian computing time for a fine 3D mesh from 12 min to 14 s. We regard this as an important step toward gaining interactive reconstruction times in 3D imaging, particularly when coupled in the future with acceleration of the forward problem. While we demonstrate results for EIT, these results apply to any soft-field imaging modality where the Jacobian matrix is computed with the adjoint method.

Multi-GPU Jacobian Accelerated Computing for Soft Field Tomography

PubMed Central

Borsic, A.; Attardo, E. A.; Halter, R. J.

2012-01-01

Image reconstruction in soft-field tomography is based on an inverse problem formulation, where a forward model is fitted to the data. In medical applications, where the anatomy presents complex shapes, it is common to use Finite Element Models to represent the volume of interest and to solve a partial differential equation that models the physics of the system. Over the last decade, there has been a shifting interest from 2D modeling to 3D modeling, as the underlying physics of most problems are three-dimensional. Though the increased computational power of modern computers allows working with much larger FEM models, the computational time required to reconstruct 3D images on a fine 3D FEM model can be significant, on the order of hours. For example, in Electrical Impedance Tomography applications using a dense 3D FEM mesh with half a million elements, a single reconstruction iteration takes approximately 15 to 20 minutes with optimized routines running on a modern multi-core PC. It is desirable to accelerate image reconstruction to enable researchers to more easily and rapidly explore data and reconstruction parameters. Further, providing high-speed reconstructions are essential for some promising clinical application of EIT. For 3D problems 70% of the computing time is spent building the Jacobian matrix, and 25% of the time in forward solving. In the present work, we focus on accelerating the Jacobian computation by using single and multiple GPUs. First, we discuss an optimized implementation on a modern multi-core PC architecture and show how computing time is bounded by the CPU-to-memory bandwidth; this factor limits the rate at which data can be fetched by the CPU. Gains associated with use of multiple CPU cores are minimal, since data operands cannot be fetched fast enough to saturate the processing power of even a single CPU core. GPUs have a much faster memory bandwidths compared to CPUs and better parallelism. We are able to obtain acceleration factors of 20 times on a single NVIDIA S1070 GPU, and of 50 times on 4 GPUs, bringing the Jacobian computing time for a fine 3D mesh from 12 minutes to 14 seconds. We regard this as an important step towards gaining interactive reconstruction times in 3D imaging, particularly when coupled in the future with acceleration of the forward problem. While we demonstrate results for Electrical Impedance Tomography, these results apply to any soft-field imaging modality where the Jacobian matrix is computed with the Adjoint Method. PMID:23010857

Stencil computations for PDE-based applications with examples from DUNE and hypre

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

Engwer, C.; Falgout, R. D.; Yang, U. M.

Here, stencils are commonly used to implement efficient on–the–fly computations of linear operators arising from partial differential equations. At the same time the term “stencil” is not fully defined and can be interpreted differently depending on the application domain and the background of the software developers. Common features in stencil codes are the preservation of the structure given by the discretization of the partial differential equation and the benefit of minimal data storage. We discuss stencil concepts of different complexity, show how they are used in modern software packages like hypre and DUNE, and discuss recent efforts to extend themore » software to enable stencil computations of more complex problems and methods such as inf–sup–stable Stokes discretizations and mixed finite element discretizations.« less

Stencil computations for PDE-based applications with examples from DUNE and hypre

DOE PAGES

Engwer, C.; Falgout, R. D.; Yang, U. M.

2017-02-24

Here, stencils are commonly used to implement efficient on–the–fly computations of linear operators arising from partial differential equations. At the same time the term “stencil” is not fully defined and can be interpreted differently depending on the application domain and the background of the software developers. Common features in stencil codes are the preservation of the structure given by the discretization of the partial differential equation and the benefit of minimal data storage. We discuss stencil concepts of different complexity, show how they are used in modern software packages like hypre and DUNE, and discuss recent efforts to extend themore » software to enable stencil computations of more complex problems and methods such as inf–sup–stable Stokes discretizations and mixed finite element discretizations.« less

Overset grid applications on distributed memory MIMD computers

NASA Technical Reports Server (NTRS)

Chawla, Kalpana; Weeratunga, Sisira

1994-01-01

Analysis of modern aerospace vehicles requires the computation of flowfields about complex three dimensional geometries composed of regions with varying spatial resolution requirements. Overset grid methods allow the use of proven structured grid flow solvers to address the twin issues of geometrical complexity and the resolution variation by decomposing the complex physical domain into a collection of overlapping subdomains. This flexibility is accompanied by the need for irregular intergrid boundary communication among the overlapping component grids. This study investigates a strategy for implementing such a static overset grid implicit flow solver on distributed memory, MIMD computers; i.e., the 128 node Intel iPSC/860 and the 208 node Intel Paragon. Performance data for two composite grid configurations characteristic of those encountered in present day aerodynamic analysis are also presented.

Understanding sequence similarity and framework analysis between centromere proteins using computational biology.

PubMed

Doss, C George Priya; Chakrabarty, Chiranjib; Debajyoti, C; Debottam, S

2014-11-01

Certain mysteries pointing toward their recruitment pathways, cell cycle regulation mechanisms, spindle checkpoint assembly, and chromosome segregation process are considered the centre of attraction in cancer research. In modern times, with the established databases, ranges of computational platforms have provided a platform to examine almost all the physiological and biochemical evidences in disease-associated phenotypes. Using existing computational methods, we have utilized the amino acid residues to understand the similarity within the evolutionary variance of different associated centromere proteins. This study related to sequence similarity, protein-protein networking, co-expression analysis, and evolutionary trajectory of centromere proteins will speed up the understanding about centromere biology and will create a road map for upcoming researchers who are initiating their work of clinical sequencing using centromere proteins.

Estimating population diversity with CatchAll

PubMed Central

Bunge, John; Woodard, Linda; Böhning, Dankmar; Foster, James A.; Connolly, Sean; Allen, Heather K.

2012-01-01

Motivation: The massive data produced by next-generation sequencing require advanced statistical tools. We address estimating the total diversity or species richness in a population. To date, only relatively simple methods have been implemented in available software. There is a need for software employing modern, computationally intensive statistical analyses including error, goodness-of-fit and robustness assessments. Results: We present CatchAll, a fast, easy-to-use, platform-independent program that computes maximum likelihood estimates for finite-mixture models, weighted linear regression-based analyses and coverage-based non-parametric methods, along with outlier diagnostics. Given sample ‘frequency count’ data, CatchAll computes 12 different diversity estimates and applies a model-selection algorithm. CatchAll also derives discounted diversity estimates to adjust for possibly uncertain low-frequency counts. It is accompanied by an Excel-based graphics program. Availability: Free executable downloads for Linux, Windows and Mac OS, with manual and source code, at www.northeastern.edu/catchall. Contact: jab18@cornell.edu PMID:22333246

Kinetics and dynamics of near-resonant vibrational energy transfer in gas ensembles of atmospheric interest

NASA Astrophysics Data System (ADS)

McCaffery, Anthony J.

2018-03-01

This study of near-resonant, vibration-vibration (V-V) gas-phase energy transfer in diatomic molecules uses the theoretical/computational method, of Marsh & McCaffery (Marsh & McCaffery 2002 J. Chem. Phys. 117, 503 (doi:10.1063/1.1489998)) The method uses the angular momentum (AM) theoretical formalism to compute quantum-state populations within the component molecules of large, non-equilibrium, gas mixtures as the component species proceed to equilibration. Computed quantum-state populations are displayed in a number of formats that reveal the detailed mechanism of the near-resonant V-V process. Further, the evolution of quantum-state populations, for each species present, may be followed as the number of collision cycles increases, displaying the kinetics of evolution for each quantum state of the ensemble's molecules. These features are illustrated for ensembles containing vibrationally excited N2 in H2, O2 and N2 initially in their ground states. This article is part of the theme issue `Modern theoretical chemistry'.

High performance in silico virtual drug screening on many-core processors.

PubMed

McIntosh-Smith, Simon; Price, James; Sessions, Richard B; Ibarra, Amaurys A

2015-05-01

Drug screening is an important part of the drug development pipeline for the pharmaceutical industry. Traditional, lab-based methods are increasingly being augmented with computational methods, ranging from simple molecular similarity searches through more complex pharmacophore matching to more computationally intensive approaches, such as molecular docking. The latter simulates the binding of drug molecules to their targets, typically protein molecules. In this work, we describe BUDE, the Bristol University Docking Engine, which has been ported to the OpenCL industry standard parallel programming language in order to exploit the performance of modern many-core processors. Our highly optimized OpenCL implementation of BUDE sustains 1.43 TFLOP/s on a single Nvidia GTX 680 GPU, or 46% of peak performance. BUDE also exploits OpenCL to deliver effective performance portability across a broad spectrum of different computer architectures from different vendors, including GPUs from Nvidia and AMD, Intel's Xeon Phi and multi-core CPUs with SIMD instruction sets.

High performance in silico virtual drug screening on many-core processors

PubMed Central

Price, James; Sessions, Richard B; Ibarra, Amaurys A

2015-01-01

Drug screening is an important part of the drug development pipeline for the pharmaceutical industry. Traditional, lab-based methods are increasingly being augmented with computational methods, ranging from simple molecular similarity searches through more complex pharmacophore matching to more computationally intensive approaches, such as molecular docking. The latter simulates the binding of drug molecules to their targets, typically protein molecules. In this work, we describe BUDE, the Bristol University Docking Engine, which has been ported to the OpenCL industry standard parallel programming language in order to exploit the performance of modern many-core processors. Our highly optimized OpenCL implementation of BUDE sustains 1.43 TFLOP/s on a single Nvidia GTX 680 GPU, or 46% of peak performance. BUDE also exploits OpenCL to deliver effective performance portability across a broad spectrum of different computer architectures from different vendors, including GPUs from Nvidia and AMD, Intel’s Xeon Phi and multi-core CPUs with SIMD instruction sets. PMID:25972727

Computational Ecology and Open Science: Tools to Help Manage Lakes for Cyanobacteria in Lakes

EPA Science Inventory

Computational ecology is an interdisciplinary field that takes advantage of modern computation abilities to expand our ecological understanding. As computational ecologists, we use large data sets, which often cover large spatial extents, and advanced statistical/mathematical co...

The determination of total burn surface area: How much difference?

PubMed

Giretzlehner, M; Dirnberger, J; Owen, R; Haller, H L; Lumenta, D B; Kamolz, L-P

2013-09-01

Burn depth and burn size are crucial determinants for assessing patients suffering from burns. Therefore, a correct evaluation of these factors is optimal for adapting the appropriate treatment in modern burn care. Burn surface assessment is subject to considerable differences among clinicians. This work investigated the accuracy among experts based on conventional surface estimation methods (e.g. "Rule of Palm", "Rule of Nines" or "Lund-Browder Chart"). The estimation results were compared to a computer-based evaluation method. Survey data was collected during one national and one international burn conference. The poll confirmed deviations of burn depth/size estimates of up to 62% in relation to the mean value of all participants. In comparison to the computer-based method, overestimation of up to 161% was found. We suggest introducing improved methods for burn depth/size assessment in clinical routine in order to efficiently allocate and distribute the available resources for practicing burn care. Copyright © 2013 Elsevier Ltd and ISBI. All rights reserved.

Exact solution of some linear matrix equations using algebraic methods

NASA Technical Reports Server (NTRS)

Djaferis, T. E.; Mitter, S. K.

1977-01-01

A study is done of solution methods for Linear Matrix Equations including Lyapunov's equation, using methods of modern algebra. The emphasis is on the use of finite algebraic procedures which are easily implemented on a digital computer and which lead to an explicit solution to the problem. The action f sub BA is introduced a Basic Lemma is proven. The equation PA + BP = -C as well as the Lyapunov equation are analyzed. Algorithms are given for the solution of the Lyapunov and comment is given on its arithmetic complexity. The equation P - A'PA = Q is studied and numerical examples are given.

An Introduction to Programming for Bioscientists: A Python-Based Primer

PubMed Central

Mura, Cameron

2016-01-01

Computing has revolutionized the biological sciences over the past several decades, such that virtually all contemporary research in molecular biology, biochemistry, and other biosciences utilizes computer programs. The computational advances have come on many fronts, spurred by fundamental developments in hardware, software, and algorithms. These advances have influenced, and even engendered, a phenomenal array of bioscience fields, including molecular evolution and bioinformatics; genome-, proteome-, transcriptome- and metabolome-wide experimental studies; structural genomics; and atomistic simulations of cellular-scale molecular assemblies as large as ribosomes and intact viruses. In short, much of post-genomic biology is increasingly becoming a form of computational biology. The ability to design and write computer programs is among the most indispensable skills that a modern researcher can cultivate. Python has become a popular programming language in the biosciences, largely because (i) its straightforward semantics and clean syntax make it a readily accessible first language; (ii) it is expressive and well-suited to object-oriented programming, as well as other modern paradigms; and (iii) the many available libraries and third-party toolkits extend the functionality of the core language into virtually every biological domain (sequence and structure analyses, phylogenomics, workflow management systems, etc.). This primer offers a basic introduction to coding, via Python, and it includes concrete examples and exercises to illustrate the language’s usage and capabilities; the main text culminates with a final project in structural bioinformatics. A suite of Supplemental Chapters is also provided. Starting with basic concepts, such as that of a “variable,” the Chapters methodically advance the reader to the point of writing a graphical user interface to compute the Hamming distance between two DNA sequences. PMID:27271528

An Introduction to Programming for Bioscientists: A Python-Based Primer.

PubMed

Ekmekci, Berk; McAnany, Charles E; Mura, Cameron

2016-06-01

Computing has revolutionized the biological sciences over the past several decades, such that virtually all contemporary research in molecular biology, biochemistry, and other biosciences utilizes computer programs. The computational advances have come on many fronts, spurred by fundamental developments in hardware, software, and algorithms. These advances have influenced, and even engendered, a phenomenal array of bioscience fields, including molecular evolution and bioinformatics; genome-, proteome-, transcriptome- and metabolome-wide experimental studies; structural genomics; and atomistic simulations of cellular-scale molecular assemblies as large as ribosomes and intact viruses. In short, much of post-genomic biology is increasingly becoming a form of computational biology. The ability to design and write computer programs is among the most indispensable skills that a modern researcher can cultivate. Python has become a popular programming language in the biosciences, largely because (i) its straightforward semantics and clean syntax make it a readily accessible first language; (ii) it is expressive and well-suited to object-oriented programming, as well as other modern paradigms; and (iii) the many available libraries and third-party toolkits extend the functionality of the core language into virtually every biological domain (sequence and structure analyses, phylogenomics, workflow management systems, etc.). This primer offers a basic introduction to coding, via Python, and it includes concrete examples and exercises to illustrate the language's usage and capabilities; the main text culminates with a final project in structural bioinformatics. A suite of Supplemental Chapters is also provided. Starting with basic concepts, such as that of a "variable," the Chapters methodically advance the reader to the point of writing a graphical user interface to compute the Hamming distance between two DNA sequences.

New opportunities for quality enhancing of images captured by passive THz camera

NASA Astrophysics Data System (ADS)

Trofimov, Vyacheslav A.; Trofimov, Vladislav V.

2014-10-01

As it is well-known, the passive THz camera allows seeing concealed object without contact with a person and this camera is non-dangerous for a person. Obviously, efficiency of using the passive THz camera depends on its temperature resolution. This characteristic specifies possibilities of the detection for concealed object: minimal size of the object; maximal distance of the detection; image quality. Computer processing of the THz image may lead to many times improving of the image quality without any additional engineering efforts. Therefore, developing of modern computer code for its application to THz images is urgent problem. Using appropriate new methods one may expect such temperature resolution which will allow to see banknote in pocket of a person without any real contact. Modern algorithms for computer processing of THz images allow also to see object inside the human body using a temperature trace on the human skin. This circumstance enhances essentially opportunity of passive THz camera applications for counterterrorism problems. We demonstrate opportunities, achieved at present time, for the detection both of concealed objects and of clothes components due to using of computer processing of images captured by passive THz cameras, manufactured by various companies. Another important result discussed in the paper consists in observation of both THz radiation emitted by incandescent lamp and image reflected from ceramic floorplate. We consider images produced by THz passive cameras manufactured by Microsemi Corp., and ThruVision Corp., and Capital Normal University (Beijing, China). All algorithms for computer processing of the THz images under consideration in this paper were developed by Russian part of author list. Keywords: THz wave, passive imaging camera, computer processing, security screening, concealed and forbidden objects, reflected image, hand seeing, banknote seeing, ceramic floorplate, incandescent lamp.

Modern Electronic Devices: An Increasingly Common Cause of Skin Disorders in Consumers.

PubMed

Corazza, Monica; Minghetti, Sara; Bertoldi, Alberto Maria; Martina, Emanuela; Virgili, Annarosa; Borghi, Alessandro

2016-01-01

: The modern conveniences and enjoyment brought about by electronic devices bring with them some health concerns. In particular, personal electronic devices are responsible for rising cases of several skin disorders, including pressure, friction, contact dermatitis, and other physical dermatitis. The universal use of such devices, either for work or recreational purposes, will probably increase the occurrence of polymorphous skin manifestations over time. It is important for clinicians to consider electronics as potential sources of dermatological ailments, for proper patient management. We performed a literature review on skin disorders associated with the personal use of modern technology, including personal computers and laptops, personal computer accessories, mobile phones, tablets, video games, and consoles.

Toward the prediction of class I and II mouse major histocompatibility complex-peptide-binding affinity: in silico bioinformatic step-by-step guide using quantitative structure-activity relationships.

PubMed

Hattotuwagama, Channa K; Doytchinova, Irini A; Flower, Darren R

2007-01-01

Quantitative structure-activity relationship (QSAR) analysis is a cornerstone of modern informatics. Predictive computational models of peptide-major histocompatibility complex (MHC)-binding affinity based on QSAR technology have now become important components of modern computational immunovaccinology. Historically, such approaches have been built around semiqualitative, classification methods, but these are now giving way to quantitative regression methods. We review three methods--a 2D-QSAR additive-partial least squares (PLS) and a 3D-QSAR comparative molecular similarity index analysis (CoMSIA) method--which can identify the sequence dependence of peptide-binding specificity for various class I MHC alleles from the reported binding affinities (IC50) of peptide sets. The third method is an iterative self-consistent (ISC) PLS-based additive method, which is a recently developed extension to the additive method for the affinity prediction of class II peptides. The QSAR methods presented here have established themselves as immunoinformatic techniques complementary to existing methodology, useful in the quantitative prediction of binding affinity: current methods for the in silico identification of T-cell epitopes (which form the basis of many vaccines, diagnostics, and reagents) rely on the accurate computational prediction of peptide-MHC affinity. We have reviewed various human and mouse class I and class II allele models. Studied alleles comprise HLA-A*0101, HLA-A*0201, HLA-A*0202, HLA-A*0203, HLA-A*0206, HLA-A*0301, HLA-A*1101, HLA-A*3101, HLA-A*6801, HLA-A*6802, HLA-B*3501, H2-K(k), H2-K(b), H2-D(b) HLA-DRB1*0101, HLA-DRB1*0401, HLA-DRB1*0701, I-A(b), I-A(d), I-A(k), I-A(S), I-E(d), and I-E(k). In this chapter we show a step-by-step guide into predicting the reliability and the resulting models to represent an advance on existing methods. The peptides used in this study are available from the AntiJen database (http://www.jenner.ac.uk/AntiJen). The PLS method is available commercially in the SYBYL molecular modeling software package. The resulting models, which can be used for accurate T-cell epitope prediction, will be made are freely available online at the URL http://www.jenner.ac.uk/MHCPred.

Computational Analysis of Behavior.

PubMed

Egnor, S E Roian; Branson, Kristin

2016-07-08

In this review, we discuss the emerging field of computational behavioral analysis-the use of modern methods from computer science and engineering to quantitatively measure animal behavior. We discuss aspects of experiment design important to both obtaining biologically relevant behavioral data and enabling the use of machine vision and learning techniques for automation. These two goals are often in conflict. Restraining or restricting the environment of the animal can simplify automatic behavior quantification, but it can also degrade the quality or alter important aspects of behavior. To enable biologists to design experiments to obtain better behavioral measurements, and computer scientists to pinpoint fruitful directions for algorithm improvement, we review known effects of artificial manipulation of the animal on behavior. We also review machine vision and learning techniques for tracking, feature extraction, automated behavior classification, and automated behavior discovery, the assumptions they make, and the types of data they work best with.

An evaluation of multi-probe locality sensitive hashing for computing similarities over web-scale query logs

PubMed Central

2018-01-01

Many modern applications of AI such as web search, mobile browsing, image processing, and natural language processing rely on finding similar items from a large database of complex objects. Due to the very large scale of data involved (e.g., users’ queries from commercial search engines), computing such near or nearest neighbors is a non-trivial task, as the computational cost grows significantly with the number of items. To address this challenge, we adopt Locality Sensitive Hashing (a.k.a, LSH) methods and evaluate four variants in a distributed computing environment (specifically, Hadoop). We identify several optimizations which improve performance, suitable for deployment in very large scale settings. The experimental results demonstrate our variants of LSH achieve the robust performance with better recall compared with “vanilla” LSH, even when using the same amount of space. PMID:29346410

Vids: Version 2.0 Alpha Visualization Engine

DTIC Science & Technology

2018-04-25

fidelity than existing efforts. Vids is a project aimed at producing more dynamic and interactive visualization tools using modern computer game ...move through and interact with the data to improve informational understanding. The Vids software leverages off-the-shelf modern game development...analysis and correlations. Recently, an ARL-pioneered project named Virtual Reality Data Analysis Environment (VRDAE) used VR and a modern game engine

A task-based parallelism and vectorized approach to 3D Method of Characteristics (MOC) reactor simulation for high performance computing architectures

NASA Astrophysics Data System (ADS)

Tramm, John R.; Gunow, Geoffrey; He, Tim; Smith, Kord S.; Forget, Benoit; Siegel, Andrew R.

2016-05-01

In this study we present and analyze a formulation of the 3D Method of Characteristics (MOC) technique applied to the simulation of full core nuclear reactors. Key features of the algorithm include a task-based parallelism model that allows independent MOC tracks to be assigned to threads dynamically, ensuring load balancing, and a wide vectorizable inner loop that takes advantage of modern SIMD computer architectures. The algorithm is implemented in a set of highly optimized proxy applications in order to investigate its performance characteristics on CPU, GPU, and Intel Xeon Phi architectures. Speed, power, and hardware cost efficiencies are compared. Additionally, performance bottlenecks are identified for each architecture in order to determine the prospects for continued scalability of the algorithm on next generation HPC architectures.

Case for a field-programmable gate array multicore hybrid machine for an image-processing application

NASA Astrophysics Data System (ADS)

Rakvic, Ryan N.; Ives, Robert W.; Lira, Javier; Molina, Carlos

2011-01-01

General purpose computer designers have recently begun adding cores to their processors in order to increase performance. For example, Intel has adopted a homogeneous quad-core processor as a base for general purpose computing. PlayStation3 (PS3) game consoles contain a multicore heterogeneous processor known as the Cell, which is designed to perform complex image processing algorithms at a high level. Can modern image-processing algorithms utilize these additional cores? On the other hand, modern advancements in configurable hardware, most notably field-programmable gate arrays (FPGAs) have created an interesting question for general purpose computer designers. Is there a reason to combine FPGAs with multicore processors to create an FPGA multicore hybrid general purpose computer? Iris matching, a repeatedly executed portion of a modern iris-recognition algorithm, is parallelized on an Intel-based homogeneous multicore Xeon system, a heterogeneous multicore Cell system, and an FPGA multicore hybrid system. Surprisingly, the cheaper PS3 slightly outperforms the Intel-based multicore on a core-for-core basis. However, both multicore systems are beaten by the FPGA multicore hybrid system by >50%.

Semiempirical Quantum Mechanical Methods for Noncovalent Interactions for Chemical and Biochemical Applications

PubMed Central

2016-01-01

Semiempirical (SE) methods can be derived from either Hartree–Fock or density functional theory by applying systematic approximations, leading to efficient computational schemes that are several orders of magnitude faster than ab initio calculations. Such numerical efficiency, in combination with modern computational facilities and linear scaling algorithms, allows application of SE methods to very large molecular systems with extensive conformational sampling. To reliably model the structure, dynamics, and reactivity of biological and other soft matter systems, however, good accuracy for the description of noncovalent interactions is required. In this review, we analyze popular SE approaches in terms of their ability to model noncovalent interactions, especially in the context of describing biomolecules, water solution, and organic materials. We discuss the most significant errors and proposed correction schemes, and we review their performance using standard test sets of molecular systems for quantum chemical methods and several recent applications. The general goal is to highlight both the value and limitations of SE methods and stimulate further developments that allow them to effectively complement ab initio methods in the analysis of complex molecular systems. PMID:27074247

Very Large Scale Optimization

NASA Technical Reports Server (NTRS)

Vanderplaats, Garrett; Townsend, James C. (Technical Monitor)

2002-01-01

The purpose of this research under the NASA Small Business Innovative Research program was to develop algorithms and associated software to solve very large nonlinear, constrained optimization tasks. Key issues included efficiency, reliability, memory, and gradient calculation requirements. This report describes the general optimization problem, ten candidate methods, and detailed evaluations of four candidates. The algorithm chosen for final development is a modern recreation of a 1960s external penalty function method that uses very limited computer memory and computational time. Although of lower efficiency, the new method can solve problems orders of magnitude larger than current methods. The resulting BIGDOT software has been demonstrated on problems with 50,000 variables and about 50,000 active constraints. For unconstrained optimization, it has solved a problem in excess of 135,000 variables. The method includes a technique for solving discrete variable problems that finds a "good" design, although a theoretical optimum cannot be guaranteed. It is very scalable in that the number of function and gradient evaluations does not change significantly with increased problem size. Test cases are provided to demonstrate the efficiency and reliability of the methods and software.

Large-scale image region documentation for fully automated image biomarker algorithm development and evaluation.

PubMed

Reeves, Anthony P; Xie, Yiting; Liu, Shuang

2017-04-01

With the advent of fully automated image analysis and modern machine learning methods, there is a need for very large image datasets having documented segmentations for both computer algorithm training and evaluation. This paper presents a method and implementation for facilitating such datasets that addresses the critical issue of size scaling for algorithm validation and evaluation; current evaluation methods that are usually used in academic studies do not scale to large datasets. This method includes protocols for the documentation of many regions in very large image datasets; the documentation may be incrementally updated by new image data and by improved algorithm outcomes. This method has been used for 5 years in the context of chest health biomarkers from low-dose chest CT images that are now being used with increasing frequency in lung cancer screening practice. The lung scans are segmented into over 100 different anatomical regions, and the method has been applied to a dataset of over 20,000 chest CT images. Using this framework, the computer algorithms have been developed to achieve over 90% acceptable image segmentation on the complete dataset.

From ancient to avant-garde: a review of traditional and modern multimodal approaches to surgical anatomy education.

PubMed

Hu, Minhao; Wattchow, David; de Fontgalland, Dayan

2018-03-01

The landscape of surgical anatomy education is progressively changing. Traditional methods, such as cadaveric dissection and didacticism are being increasingly phased out in undergraduate courses for multimodal approaches incorporating problem-based learning, radiology and computer-based simulations. Although effective at clinically contextualizing and integrating anatomical information, these approaches may be a poor substitute for fostering a grasp of foundational 'pure' anatomy. Dissection is ideal for this purpose and hence remains the cornerstone of anatomical education. However, novel methods and technological advancements continually give way to adjuncts such as cadaveric surgery, three-dimensional printing, virtual simulation and live surgical streaming, which have demonstrated significant efficacy alone or alongside dissection. Therefore, although divergent paradigms of 'new versus old' approaches have engulfed and divided the community, educators should seek to integrate the ancient and avant-garde to comprehensively satisfy all of the modern anatomy learner's educational needs. © 2017 Royal Australasian College of Surgeons.

Self organising maps for visualising and modelling

PubMed Central

2012-01-01

The paper describes the motivation of SOMs (Self Organising Maps) and how they are generally more accessible due to the wider available modern, more powerful, cost-effective computers. Their advantages compared to Principal Components Analysis and Partial Least Squares are discussed. These allow application to non-linear data, are not so dependent on least squares solutions, normality of errors and less influenced by outliers. In addition there are a wide variety of intuitive methods for visualisation that allow full use of the map space. Modern problems in analytical chemistry include applications to cultural heritage studies, environmental, metabolomic and biological problems result in complex datasets. Methods for visualising maps are described including best matching units, hit histograms, unified distance matrices and component planes. Supervised SOMs for classification including multifactor data and variable selection are discussed as is their use in Quality Control. The paper is illustrated using four case studies, namely the Near Infrared of food, the thermal analysis of polymers, metabolomic analysis of saliva using NMR, and on-line HPLC for pharmaceutical process monitoring. PMID:22594434

Injector element characterization methodology

NASA Technical Reports Server (NTRS)

Cox, George B., Jr.

1988-01-01

Characterization of liquid rocket engine injector elements is an important part of the development process for rocket engine combustion devices. Modern nonintrusive instrumentation for flow velocity and spray droplet size measurement, and automated, computer-controlled test facilities allow rapid, low-cost evaluation of injector element performance and behavior. Application of these methods in rocket engine development, paralleling their use in gas turbine engine development, will reduce rocket engine development cost and risk. The Alternate Turbopump (ATP) Hot Gas Systems (HGS) preburner injector elements were characterized using such methods, and the methodology and some of the results obtained will be shown.

Linear Calibration of Radiographic Mineral Density Using Video-Digitizing Methods

NASA Technical Reports Server (NTRS)

Martin, R. Bruce; Papamichos, Thomas; Dannucci, Greg A.

1990-01-01

Radiographic images can provide quantitative as well as qualitative information if they are subjected to densitometric analysis. Using modern video-digitizing techniques, such densitometry can be readily accomplished using relatively inexpensive computer systems. However, such analyses are made more difficult by the fact that the density values read from the radiograph have a complex, nonlinear relationship to bone mineral content. This article derives the relationship between these variables from the nature of the intermediate physical processes, and presents a simple mathematical method for obtaining a linear calibration function using a step wedge or other standard.

The challenges of developing computational physics: the case of South Africa

NASA Astrophysics Data System (ADS)

Salagaram, T.; Chetty, N.

2013-08-01

Most modern scientific research problems are complex and interdisciplinary in nature. It is impossible to study such problems in detail without the use of computation in addition to theory and experiment. Although it is widely agreed that students should be introduced to computational methods at the undergraduate level, it remains a challenge to do this in a full traditional undergraduate curriculum. In this paper, we report on a survey that we conducted of undergraduate physics curricula in South Africa to determine the content and the approach taken in the teaching of computational physics. We also considered the pedagogy of computational physics at the postgraduate and research levels at various South African universities, research facilities and institutions. We conclude that the state of computational physics training in South Africa, especially at the undergraduate teaching level, is generally weak and needs to be given more attention at all universities. Failure to do so will impact negatively on the countrys capacity to grow its endeavours generally in the field of computational sciences, with negative impacts on research, and in commerce and industry.

Laboratory Mathematics

ERIC Educational Resources Information Center

de Mestre, Neville

2004-01-01

Computers were invented to help mathematicians perform long and complicated calculations more efficiently. By the time that a computing area became a familiar space in primary and secondary schools, the initial motivation for computer use had been submerged in the many other functions that modern computers now accomplish. Not only the mathematics…

Computing Legacy Software Behavior to Understand Functionality and Security Properties: An IBM/370 Demonstration

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

Linger, Richard C; Pleszkoch, Mark G; Prowell, Stacy J

Organizations maintaining mainframe legacy software can benefit from code modernization and incorporation of security capabilities to address the current threat environment. Oak Ridge National Laboratory is developing the Hyperion system to compute the behavior of software as a means to gain understanding of software functionality and security properties. Computation of functionality is critical to revealing security attributes, which are in fact specialized functional behaviors of software. Oak Ridge is collaborating with MITRE Corporation to conduct a demonstration project to compute behavior of legacy IBM Assembly Language code for a federal agency. The ultimate goal is to understand functionality and securitymore » vulnerabilities as a basis for code modernization. This paper reports on the first phase, to define functional semantics for IBM Assembly instructions and conduct behavior computation experiments.« less

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.

Peculiarities of Natural Technology Application in Architecture

NASA Astrophysics Data System (ADS)

Umorina, Z.

2017-11-01

Technical advancement of the modern world has made it possible to create unique artificial objects based on the natural technology principle. New engineering and design types, such as computational design, additive manufacturing, materials engineering, synthetic biology, etc. allow us to enter a new level of interaction between a human being and nature. This influences the formation of a new world view in the sphere of architecture and leads to the development of new methods and styles [1,2].

Fingerprinting sea-level variations in response to continental ice loss: a benchmark exercise

NASA Astrophysics Data System (ADS)

Barletta, Valentina R.; Spada, Giorgio; Riva, Riccardo E. M.; James, Thomas S.; Simon, Karen M.; van der Wal, Wouter; Martinec, Zdenek; Klemann, Volker; Olsson, Per-Anders; Hagedoorn, Jan; Stocchi, Paolo; Vermeersen, Bert

2013-04-01

Understanding the response of the Earth to the waxing and waning ice sheets is crucial in various contexts, ranging from the interpretation of modern satellite geodetic measurements to the projections of future sea level trends in response to climate change. All the processes accompanying Glacial Isostatic Adjustment (GIA) can be described solving the so-called Sea Level Equation (SLE), an integral equation that accounts for the interactions between the ice sheets, the solid Earth, and the oceans. Modern approaches to the SLE are based on various techniques that range from purely analytical formulations to fully numerical methods. Here we present the results of a benchmark exercise of independently developed codes designed to solve the SLE. The study involves predictions of current sea level changes due to present-day ice mass loss. In spite of the differences in the methods employed, the comparison shows that a significant number of GIA modellers can reproduce their sea-level computations within 2% for well defined, large-scale present-day ice mass changes. Smaller and more detailed loads need further and dedicated benchmarking and high resolution computation. This study shows how the details of the implementation and the inputs specifications are an important, and often underappreciated, aspect. Hence this represents a step toward the assessment of reliability of sea level projections obtained with benchmarked SLE codes.

Leveraging Social Computing for Personalized Crisis Communication using Social Media.

PubMed

Leykin, Dmitry; Aharonson-Daniel, Limor; Lahad, Mooli

2016-03-24

The extensive use of social media in modern life redefines social interaction and communication. Communication plays an important role in mitigating, or exacerbating, the psychological and behavioral responses to critical incidents and disasters. As recent disasters demonstrated, people tend to converge to social media during and following emergencies. Authorities can then use this media and other computational methods to gain insights from the public, mainly to enhance situational awareness, but also to improve their communication with the public and public adherence to instructions. The current review presents a conceptual framework for studying psychological aspects of crisis and risk communication using the social media through social computing. Advanced analytical tools can be integrated in the processes and objectives of crisis communication. The availability of the computational techniques can improve communication with the public by a process of Hyper-Targeted Crisis Communication. The review suggests that using advanced computational tools for target-audience profiling and linguistic matching in social media, can facilitate more sensitive and personalized emergency communication.

Semi-implicit finite difference methods for three-dimensional shallow water flow

USGS Publications Warehouse

Casulli, Vincenzo; Cheng, Ralph T.

1992-01-01

A semi-implicit finite difference method for the numerical solution of three-dimensional shallow water flows is presented and discussed. The governing equations are the primitive three-dimensional turbulent mean flow equations where the pressure distribution in the vertical has been assumed to be hydrostatic. In the method of solution a minimal degree of implicitness has been adopted in such a fashion that the resulting algorithm is stable and gives a maximal computational efficiency at a minimal computational cost. At each time step the numerical method requires the solution of one large linear system which can be formally decomposed into a set of small three-diagonal systems coupled with one five-diagonal system. All these linear systems are symmetric and positive definite. Thus the existence and uniquencess of the numerical solution are assured. When only one vertical layer is specified, this method reduces as a special case to a semi-implicit scheme for solving the corresponding two-dimensional shallow water equations. The resulting two- and three-dimensional algorithm has been shown to be fast, accurate and mass-conservative and can also be applied to simulate flooding and drying of tidal mud-flats in conjunction with three-dimensional flows. Furthermore, the resulting algorithm is fully vectorizable for an efficient implementation on modern vector computers.

Implicit and semi-implicit schemes in the Versatile Advection Code: numerical tests

NASA Astrophysics Data System (ADS)

Toth, G.; Keppens, R.; Botchev, M. A.

1998-04-01

We describe and evaluate various implicit and semi-implicit time integration schemes applied to the numerical simulation of hydrodynamical and magnetohydrodynamical problems. The schemes were implemented recently in the software package Versatile Advection Code, which uses modern shock capturing methods to solve systems of conservation laws with optional source terms. The main advantage of implicit solution strategies over explicit time integration is that the restrictive constraint on the allowed time step can be (partially) eliminated, thus the computational cost is reduced. The test problems cover one and two dimensional, steady state and time accurate computations, and the solutions contain discontinuities. For each test, we confront explicit with implicit solution strategies.

Equipment: Antenna systems

NASA Astrophysics Data System (ADS)

Petrie, L. E.

1983-05-01

Some antenna fundamentals as well as definitions of the principal terms used in antenna engineering are described. Methods are presented for determining the desired antenna radiation patterns for an HF communication circuit or service area. Sources for obtaining or computing radiation pattern information are outlined. Comparisons are presented between the measured and computed radiation patterns. The effect of the properties of the ground on the antenna gain and pattern are illustrated for several types of antennas. Numerous examples are given of the radiation patterns for typical antennas used on short, intermediate and long distance circuits or both mobile and fixed service operations. The application of adaptive antenna arrays and active antennas in modern HF communication systems are briefly reviewed.

Equipment: Antenna systems

NASA Astrophysics Data System (ADS)

Petrie, L. E.

1986-03-01

Some antenna fundamentals as well as definitions of the principal terms used in antenna engineering are described. Methods are presented for determining the desired antenna radiation patterns for HF communication circuit or service area. Sources for obtaining or computing radiation pattern information are outlined. Comparisons are presented between the measured and computed radiation patterns. The effect of the properties of the ground on the antenna gain and the pattern are illustrated for several types of antennas. Numerous examples are given of the radiation patterns for typical antennas used on short, intermediate and long distance circuits for both mobile and fixed service operations. The application of adaptive antenna arrays and active antennas in modern HF communication systems are briefly reviewed.

Rich Language Analysis for Counterterrorism

NASA Astrophysics Data System (ADS)

Guidère, Mathieu; Howard, Newton; Argamon, Shlomo

Accurate and relevant intelligence is critical for effective counterterrorism. Too much irrelevant information is as bad or worse than not enough information. Modern computational tools promise to provide better search and summarization capabilities to help analysts filter and select relevant and key information. However, to do this task effectively, such tools must have access to levels of meaning beyond the literal. Terrorists operating in context-rich cultures like fundamentalist Islam use messages with multiple levels of interpretation, which are easily misunderstood by non-insiders. This chapter discusses several kinds of such “encryption” used by terrorists and insurgents in the Arabic language, and how knowledge of such methods can be used to enhance computational text analysis techniques for use in counterterrorism.

A highly efficient 3D level-set grain growth algorithm tailored for ccNUMA architecture

NASA Astrophysics Data System (ADS)

Mießen, C.; Velinov, N.; Gottstein, G.; Barrales-Mora, L. A.

2017-12-01

A highly efficient simulation model for 2D and 3D grain growth was developed based on the level-set method. The model introduces modern computational concepts to achieve excellent performance on parallel computer architectures. Strong scalability was measured on cache-coherent non-uniform memory access (ccNUMA) architectures. To achieve this, the proposed approach considers the application of local level-set functions at the grain level. Ideal and non-ideal grain growth was simulated in 3D with the objective to study the evolution of statistical representative volume elements in polycrystals. In addition, microstructure evolution in an anisotropic magnetic material affected by an external magnetic field was simulated.

The use of methods of structural optimization at the stage of designing high-rise buildings with steel construction

NASA Astrophysics Data System (ADS)

Vasilkin, Andrey

2018-03-01

The more designing solutions at the search stage for design for high-rise buildings can be synthesized by the engineer, the more likely that the final adopted version will be the most efficient and economical. However, in modern market conditions, taking into account the complexity and responsibility of high-rise buildings the designer does not have the necessary time to develop, analyze and compare any significant number of options. To solve this problem, it is expedient to use the high potential of computer-aided designing. To implement automated search for design solutions, it is proposed to develop the computing facilities, the application of which will significantly increase the productivity of the designer and reduce the complexity of designing. Methods of structural and parametric optimization have been adopted as the basis of the computing facilities. Their efficiency in the synthesis of design solutions is shown, also the schemes, that illustrate and explain the introduction of structural optimization in the traditional design of steel frames, are constructed. To solve the problem of synthesis and comparison of design solutions for steel frames, it is proposed to develop the computing facilities that significantly reduces the complexity of search designing and based on the use of methods of structural and parametric optimization.

Image analysis in modern ophthalmology: from acquisition to computer assisted diagnosis and telemedicine

NASA Astrophysics Data System (ADS)

Marrugo, Andrés G.; Millán, María S.; Cristóbal, Gabriel; Gabarda, Salvador; Sorel, Michal; Sroubek, Filip

2012-06-01

Medical digital imaging has become a key element of modern health care procedures. It provides visual documentation and a permanent record for the patients, and most important the ability to extract information about many diseases. Modern ophthalmology thrives and develops on the advances in digital imaging and computing power. In this work we present an overview of recent image processing techniques proposed by the authors in the area of digital eye fundus photography. Our applications range from retinal image quality assessment to image restoration via blind deconvolution and visualization of structural changes in time between patient visits. All proposed within a framework for improving and assisting the medical practice and the forthcoming scenario of the information chain in telemedicine.

STORM WATER MANAGEMENT MODEL (SWMM) MODERNIZATION

EPA Science Inventory

The U.S. Environmental Protection Agency's Water Supply and Water Resources Division in partnership with the consulting firm of CDM to redevelop and modernize the Storm Water Management Model (SWMM). In the initial phase of this project EPA rewrote SWMM's computational engine usi...

Novel 3D/VR interactive environment for MD simulations, visualization and analysis.

PubMed

Doblack, Benjamin N; Allis, Tim; Dávila, Lilian P

2014-12-18

The increasing development of computing (hardware and software) in the last decades has impacted scientific research in many fields including materials science, biology, chemistry and physics among many others. A new computational system for the accurate and fast simulation and 3D/VR visualization of nanostructures is presented here, using the open-source molecular dynamics (MD) computer program LAMMPS. This alternative computational method uses modern graphics processors, NVIDIA CUDA technology and specialized scientific codes to overcome processing speed barriers common to traditional computing methods. In conjunction with a virtual reality system used to model materials, this enhancement allows the addition of accelerated MD simulation capability. The motivation is to provide a novel research environment which simultaneously allows visualization, simulation, modeling and analysis. The research goal is to investigate the structure and properties of inorganic nanostructures (e.g., silica glass nanosprings) under different conditions using this innovative computational system. The work presented outlines a description of the 3D/VR Visualization System and basic components, an overview of important considerations such as the physical environment, details on the setup and use of the novel system, a general procedure for the accelerated MD enhancement, technical information, and relevant remarks. The impact of this work is the creation of a unique computational system combining nanoscale materials simulation, visualization and interactivity in a virtual environment, which is both a research and teaching instrument at UC Merced.

Novel 3D/VR Interactive Environment for MD Simulations, Visualization and Analysis

PubMed Central

Doblack, Benjamin N.; Allis, Tim; Dávila, Lilian P.

2014-01-01

The increasing development of computing (hardware and software) in the last decades has impacted scientific research in many fields including materials science, biology, chemistry and physics among many others. A new computational system for the accurate and fast simulation and 3D/VR visualization of nanostructures is presented here, using the open-source molecular dynamics (MD) computer program LAMMPS. This alternative computational method uses modern graphics processors, NVIDIA CUDA technology and specialized scientific codes to overcome processing speed barriers common to traditional computing methods. In conjunction with a virtual reality system used to model materials, this enhancement allows the addition of accelerated MD simulation capability. The motivation is to provide a novel research environment which simultaneously allows visualization, simulation, modeling and analysis. The research goal is to investigate the structure and properties of inorganic nanostructures (e.g., silica glass nanosprings) under different conditions using this innovative computational system. The work presented outlines a description of the 3D/VR Visualization System and basic components, an overview of important considerations such as the physical environment, details on the setup and use of the novel system, a general procedure for the accelerated MD enhancement, technical information, and relevant remarks. The impact of this work is the creation of a unique computational system combining nanoscale materials simulation, visualization and interactivity in a virtual environment, which is both a research and teaching instrument at UC Merced. PMID:25549300

Efficiency of the confocal method of laser endomicroscopy in complex diagnoses of diseases of common bile duct

NASA Astrophysics Data System (ADS)

Anaskin, S. G.; Panchenkov, D. N.; Chertyuk, V. B.; Sazonov, D. V.; Zabozlayev, F. G.; Danilevskaya, O. V.; Mokshina, N. V.; Korniletsky, I. D.

2017-01-01

One of the more frequent manifestations of diseases of the bile ducts are its’ strictures or stenoses that could be of either malignant or benign nature. Current methods of diagnosing this pathology include computer tomography (CT) scan, magnetic resonance cholangiopancreatography (MRCP), endoscopic ultrasound (EUS) and endoscopic retrograde cholangiopancreatography (ERCP). However, these methods are not always informative, which makes this a current and topical problem. A fundamentally new method that broadens the capabilities of ERCP when diagnosing diseases of the bile duct accompanied by the development of strictures or stenoses is probe-based confocal laser endomicroscopy (pCLE). The method is based on the principle of confocal fluorescence microscopy. The most elaborate complications arise with the presence of the pre-existing pancreatobiliary pathology: pseudotumoral chronic pancreatitis, acute cholangitis, etc. Early stage cholangiocarcinoma diagnosis can be difficult (and not always possible) even with the help of modern research methods. For the timely diagnostic it is advantageous to conduct pCLE and targeted biopsy of the zone with most manifested changes. In all instances, the first use of the pCLE method for diagnostic purposes allowed us to clarify and correctly verify the diagnosis. When concerning the diseases of the bile duct, the modern stage of pCLE development can be of critical importance when other methods are not effective.

TRIM—3D: a three-dimensional model for accurate simulation of shallow water flow

USGS Publications Warehouse

Casulli, Vincenzo; Bertolazzi, Enrico; Cheng, Ralph T.

1993-01-01

A semi-implicit finite difference formulation for the numerical solution of three-dimensional tidal circulation is discussed. The governing equations are the three-dimensional Reynolds equations in which the pressure is assumed to be hydrostatic. A minimal degree of implicitness has been introduced in the finite difference formula so that the resulting algorithm permits the use of large time steps at a minimal computational cost. This formulation includes the simulation of flooding and drying of tidal flats, and is fully vectorizable for an efficient implementation on modern vector computers. The high computational efficiency of this method has made it possible to provide the fine details of circulation structure in complex regions that previous studies were unable to obtain. For proper interpretation of the model results suitable interactive graphics is also an essential tool.

SiMon: Simulation Monitor for Computational Astrophysics

NASA Astrophysics Data System (ADS)

Xuran Qian, Penny; Cai, Maxwell Xu; Portegies Zwart, Simon; Zhu, Ming

2017-09-01

Scientific discovery via numerical simulations is important in modern astrophysics. This relatively new branch of astrophysics has become possible due to the development of reliable numerical algorithms and the high performance of modern computing technologies. These enable the analysis of large collections of observational data and the acquisition of new data via simulations at unprecedented accuracy and resolution. Ideally, simulations run until they reach some pre-determined termination condition, but often other factors cause extensive numerical approaches to break down at an earlier stage. In those cases, processes tend to be interrupted due to unexpected events in the software or the hardware. In those cases, the scientist handles the interrupt manually, which is time-consuming and prone to errors. We present the Simulation Monitor (SiMon) to automatize the farming of large and extensive simulation processes. Our method is light-weight, it fully automates the entire workflow management, operates concurrently across multiple platforms and can be installed in user space. Inspired by the process of crop farming, we perceive each simulation as a crop in the field and running simulation becomes analogous to growing crops. With the development of SiMon we relax the technical aspects of simulation management. The initial package was developed for extensive parameter searchers in numerical simulations, but it turns out to work equally well for automating the computational processing and reduction of observational data reduction.

[The application of X-ray imaging in forensic medicine].

PubMed

Kučerová, Stěpánka; Safr, Miroslav; Ublová, Michaela; Urbanová, Petra; Hejna, Petr

2014-07-01

X-ray is the most common, basic and essential imaging method used in forensic medicine. It serves to display and localize the foreign objects in the body and helps to detect various traumatic and pathological changes. X-ray imaging is valuable in anthropological assessment of an individual. X-ray allows non-invasive evaluation of important findings before the autopsy and thus selection of the optimal strategy for dissection. Basic indications for postmortem X-ray imaging in forensic medicine include gunshot and explosive fatalities (identification and localization of projectiles or other components of ammunition, visualization of secondary missiles), sharp force injuries (air embolism, identification of the weapon) and motor vehicle related deaths. The method is also helpful for complex injury evaluation in abused victims or in persons where abuse is suspected. Finally, X-ray imaging still remains the gold standard method for identification of unknown deceased. With time modern imaging methods, especially computed tomography and magnetic resonance imaging, are more and more applied in forensic medicine. Their application extends possibilities of the visualization the bony structures toward a more detailed imaging of soft tissues and internal organs. The application of modern imaging methods in postmortem body investigation is known as digital or virtual autopsy. At present digital postmortem imaging is considered as a bloodless alternative to the conventional autopsy.

Towards the Solution of the Many-Electron Problem in Real Materials: Equation of State of the Hydrogen Chain with State-of-the-Art Many-Body Methods

DOE PAGES

Motta, Mario; Ceperley, David M.; Chan, Garnet Kin-Lic; ...

2017-09-28

We present numerical results for the equation of state of an infinite chain of hydrogen atoms. A variety of modern many-body methods are employed, with exhaustive cross-checks and validation. Approaches for reaching the continuous space limit and the thermodynamic limit are investigated, proposed, and tested. The detailed comparisons provide a benchmark for assessing the current state of the art in many-body computation, and for the development of new methods. The ground-state energy per atom in the linear chain is accurately determined versus bond length, with a confidence bound given on all uncertainties.

Towards the Solution of the Many-Electron Problem in Real Materials: Equation of State of the Hydrogen Chain with State-of-the-Art Many-Body Methods

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

Motta, Mario; Ceperley, David M.; Chan, Garnet Kin-Lic

We present numerical results for the equation of state of an infinite chain of hydrogen atoms. A variety of modern many-body methods are employed, with exhaustive cross-checks and validation. Approaches for reaching the continuous space limit and the thermodynamic limit are investigated, proposed, and tested. The detailed comparisons provide a benchmark for assessing the current state of the art in many-body computation, and for the development of new methods. The ground-state energy per atom in the linear chain is accurately determined versus bond length, with a confidence bound given on all uncertainties.

Finite-difference method Stokes solver (FDMSS) for 3D pore geometries: Software development, validation and case studies

NASA Astrophysics Data System (ADS)

Gerke, Kirill M.; Vasilyev, Roman V.; Khirevich, Siarhei; Collins, Daniel; Karsanina, Marina V.; Sizonenko, Timofey O.; Korost, Dmitry V.; Lamontagne, Sébastien; Mallants, Dirk

2018-05-01

Permeability is one of the fundamental properties of porous media and is required for large-scale Darcian fluid flow and mass transport models. Whilst permeability can be measured directly at a range of scales, there are increasing opportunities to evaluate permeability from pore-scale fluid flow simulations. We introduce the free software Finite-Difference Method Stokes Solver (FDMSS) that solves Stokes equation using a finite-difference method (FDM) directly on voxelized 3D pore geometries (i.e. without meshing). Based on explicit convergence studies, validation on sphere packings with analytically known permeabilities, and comparison against lattice-Boltzmann and other published FDM studies, we conclude that FDMSS provides a computationally efficient and accurate basis for single-phase pore-scale flow simulations. By implementing an efficient parallelization and code optimization scheme, permeability inferences can now be made from 3D images of up to 109 voxels using modern desktop computers. Case studies demonstrate the broad applicability of the FDMSS software for both natural and artificial porous media.

Advanced 3D Characterization and Reconstruction of Reactor Materials FY16 Final Report

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

Fromm, Bradley; Hauch, Benjamin; Sridharan, Kumar

2016-12-01

A coordinated effort to link advanced materials characterization methods and computational modeling approaches is critical to future success for understanding and predicting the behavior of reactor materials that operate at extreme conditions. The difficulty and expense of working with nuclear materials have inhibited the use of modern characterization techniques on this class of materials. Likewise, mesoscale simulation efforts have been impeded due to insufficient experimental data necessary for initialization and validation of the computer models. The objective of this research is to develop methods to integrate advanced materials characterization techniques developed for reactor materials with state-of-the-art mesoscale modeling and simulationmore » tools. Research to develop broad-ion beam sample preparation, high-resolution electron backscatter diffraction, and digital microstructure reconstruction techniques; and methods for integration of these techniques into mesoscale modeling tools are detailed. Results for both irradiated and un-irradiated reactor materials are presented for FY14 - FY16 and final remarks are provided.« less

dREL: a relational expression language for dictionary methods.

PubMed

Spadaccini, Nick; Castleden, Ian R; du Boulay, Doug; Hall, Sydney R

2012-08-27

The provision of precise metadata is an important but a largely underrated challenge for modern science [Nature 2009, 461, 145]. We describe here a dictionary methods language dREL that has been designed to enable complex data relationships to be expressed as formulaic scripts in data dictionaries written in DDLm [Spadaccini and Hall J. Chem. Inf. Model.2012 doi:10.1021/ci300075z]. dREL describes data relationships in a simple but powerful canonical form that is easy to read and understand and can be executed computationally to evaluate or validate data. The execution of dREL expressions is not a substitute for traditional scientific computation; it is to provide precise data dependency information to domain-specific definitions and a means for cross-validating data. Some scientific fields apply conventional programming languages to methods scripts but these tend to inhibit both dictionary development and accessibility. dREL removes the programming barrier and encourages the production of the metadata needed for seamless data archiving and exchange in science.

High performance flight computer developed for deep space applications

NASA Technical Reports Server (NTRS)

Bunker, Robert L.

1993-01-01

The development of an advanced space flight computer for real time embedded deep space applications which embodies the lessons learned on Galileo and modern computer technology is described. The requirements are listed and the design implementation that meets those requirements is described. The development of SPACE-16 (Spaceborne Advanced Computing Engine) (where 16 designates the databus width) was initiated to support the MM2 (Marine Mark 2) project. The computer is based on a radiation hardened emulation of a modern 32 bit microprocessor and its family of support devices including a high performance floating point accelerator. Additional custom devices which include a coprocessor to improve input/output capabilities, a memory interface chip, and an additional support chip that provide management of all fault tolerant features, are described. Detailed supporting analyses and rationale which justifies specific design and architectural decisions are provided. The six chip types were designed and fabricated. Testing and evaluation of a brass/board was initiated.

A survey study on student preferences regarding pathology teaching in Germany: a call for curricular modernization.

PubMed

Herrmann, Florian E M; Lenski, Markus; Steffen, Julius; Kailuweit, Magdalena; Nikolaus, Marc; Koteeswaran, Rajasekaran; Sailer, Andreas; Hanszke, Anna; Wintergerst, Maximilian; Dittmer, Sissi; Mayr, Doris; Genzel-Boroviczény, Orsolya; Eley, Diann S; Fischer, Martin R

2015-06-02

Pathology is a discipline that provides the basis of the understanding of disease in medicine. The past decades have seen a decline in the emphasis laid on pathology teaching in medical schools and outdated pathology curricula have worsened the situation. Student opinions and thoughts are central to the questions of whether and how such curricula should be modernized. A survey was conducted among 1018 German medical students regarding their preferences in pathology teaching modalities and their satisfaction with lecture-based courses. A qualitative analysis was performed comparing a recently modernized pathology curriculum with a traditional lecture-based curriculum. The differences in modalities of teaching used were investigated. Student satisfaction with the lecture-based curriculum positively correlated with student grades (spearman's correlation coefficient 0.24). Additionally, students with lower grades supported changing the curriculum (spearman's correlation coefficient 0.47). The majority supported virtual microscopy, autopsies, seminars and podcasts as preferred didactic methods. The data supports the implementation of a pathology curriculum where tutorials, autopsies and supplementary computer-based learning tools play important roles.

Emotion Analysis of Telephone Complaints from Customer Based on Affective Computing.

PubMed

Gong, Shuangping; Dai, Yonghui; Ji, Jun; Wang, Jinzhao; Sun, Hai

2015-01-01

Customer complaint has been the important feedback for modern enterprises to improve their product and service quality as well as the customer's loyalty. As one of the commonly used manners in customer complaint, telephone communication carries rich emotional information of speeches, which provides valuable resources for perceiving the customer's satisfaction and studying the complaint handling skills. This paper studies the characteristics of telephone complaint speeches and proposes an analysis method based on affective computing technology, which can recognize the dynamic changes of customer emotions from the conversations between the service staff and the customer. The recognition process includes speaker recognition, emotional feature parameter extraction, and dynamic emotion recognition. Experimental results show that this method is effective and can reach high recognition rates of happy and angry states. It has been successfully applied to the operation quality and service administration in telecom and Internet service company.

Parametric geometric model and hydrodynamic shape optimization of a flying-wing structure underwater glider

NASA Astrophysics Data System (ADS)

Wang, Zhen-yu; Yu, Jian-cheng; Zhang, Ai-qun; Wang, Ya-xing; Zhao, Wen-tao

2017-12-01

Combining high precision numerical analysis methods with optimization algorithms to make a systematic exploration of a design space has become an important topic in the modern design methods. During the design process of an underwater glider's flying-wing structure, a surrogate model is introduced to decrease the computation time for a high precision analysis. By these means, the contradiction between precision and efficiency is solved effectively. Based on the parametric geometry modeling, mesh generation and computational fluid dynamics analysis, a surrogate model is constructed by adopting the design of experiment (DOE) theory to solve the multi-objects design optimization problem of the underwater glider. The procedure of a surrogate model construction is presented, and the Gaussian kernel function is specifically discussed. The Particle Swarm Optimization (PSO) algorithm is applied to hydrodynamic design optimization. The hydrodynamic performance of the optimized flying-wing structure underwater glider increases by 9.1%.

Emotion Analysis of Telephone Complaints from Customer Based on Affective Computing

PubMed Central

Gong, Shuangping; Ji, Jun; Wang, Jinzhao; Sun, Hai

2015-01-01

Customer complaint has been the important feedback for modern enterprises to improve their product and service quality as well as the customer's loyalty. As one of the commonly used manners in customer complaint, telephone communication carries rich emotional information of speeches, which provides valuable resources for perceiving the customer's satisfaction and studying the complaint handling skills. This paper studies the characteristics of telephone complaint speeches and proposes an analysis method based on affective computing technology, which can recognize the dynamic changes of customer emotions from the conversations between the service staff and the customer. The recognition process includes speaker recognition, emotional feature parameter extraction, and dynamic emotion recognition. Experimental results show that this method is effective and can reach high recognition rates of happy and angry states. It has been successfully applied to the operation quality and service administration in telecom and Internet service company. PMID:26633967

Rapid Parallel Calculation of shell Element Based On GPU

NASA Astrophysics Data System (ADS)

Wanga, Jian Hua; Lia, Guang Yao; Lib, Sheng; Li, Guang Yao

2010-06-01

Long computing time bottlenecked the application of finite element. In this paper, an effective method to speed up the FEM calculation by using the existing modern graphic processing unit and programmable colored rendering tool was put forward, which devised the representation of unit information in accordance with the features of GPU, converted all the unit calculation into film rendering process, solved the simulation work of all the unit calculation of the internal force, and overcame the shortcomings of lowly parallel level appeared ever before when it run in a single computer. Studies shown that this method could improve efficiency and shorten calculating hours greatly. The results of emulation calculation about the elasticity problem of large number cells in the sheet metal proved that using the GPU parallel simulation calculation was faster than using the CPU's. It is useful and efficient to solve the project problems in this way.

A Comparison of Wood Density between Classical Cremonese and Modern Violins

PubMed Central

Stoel, Berend C.; Borman, Terry M.

2008-01-01

Classical violins created by Cremonese masters, such as Antonio Stradivari and Giuseppe Guarneri Del Gesu, have become the benchmark to which the sound of all violins are compared in terms of their abilities of expressiveness and projection. By general consensus, no luthier since that time has been able to replicate the sound quality of these classical instruments. The vibration and sound radiation characteristics of a violin are determined by an instrument's geometry and the material properties of the wood. New test methods allow the non-destructive examination of one of the key material properties, the wood density, at the growth ring level of detail. The densities of five classical and eight modern violins were compared, using computed tomography and specially developed image-processing software. No significant differences were found between the median densities of the modern and the antique violins, however the density difference between wood grains of early and late growth was significantly smaller in the classical Cremonese violins compared with modern violins, in both the top (Spruce) and back (Maple) plates (p = 0.028 and 0.008, respectively). The mean density differential (SE) of the top plates of the modern and classical violins was 274 (26.6) and 183 (11.7) gram/liter. For the back plates, the values were 128 (2.6) and 115 (2.0) gram/liter. These differences in density differentials may reflect similar changes in stiffness distributions, which could directly impact vibrational efficacy or indirectly modify sound radiation via altered damping characteristics. Either of these mechanisms may help explain the acoustical differences between the classical and modern violins. PMID:18596937

High-kVp Assisted Metal Artifact Reduction for X-ray Computed Tomography

PubMed Central

Xi, Yan; Jin, Yannan; De Man, Bruno; Wang, Ge

2016-01-01

In X-ray computed tomography (CT), the presence of metallic parts in patients causes serious artifacts and degrades image quality. Many algorithms were published for metal artifact reduction (MAR) over the past decades with various degrees of success but without a perfect solution. Some MAR algorithms are based on the assumption that metal artifacts are due only to strong beam hardening and may fail in the case of serious photon starvation. Iterative methods handle photon starvation by discarding or underweighting corrupted data, but the results are not always stable and they come with high computational cost. In this paper, we propose a high-kVp-assisted CT scan mode combining a standard CT scan with a few projection views at a high-kVp value to obtain critical projection information near the metal parts. This method only requires minor hardware modifications on a modern CT scanner. Two MAR algorithms are proposed: dual-energy normalized MAR (DNMAR) and high-energy embedded MAR (HEMAR), aiming at situations without and with photon starvation respectively. Simulation results obtained with the CT simulator CatSim demonstrate that the proposed DNMAR and HEMAR methods can eliminate metal artifacts effectively. PMID:27891293

Bounding the electrostatic free energies associated with linear continuum models of molecular solvation.

PubMed

Bardhan, Jaydeep P; Knepley, Matthew G; Anitescu, Mihai

2009-03-14

The importance of electrostatic interactions in molecular biology has driven extensive research toward the development of accurate and efficient theoretical and computational models. Linear continuum electrostatic theory has been surprisingly successful, but the computational costs associated with solving the associated partial differential equations (PDEs) preclude the theory's use in most dynamical simulations. Modern generalized-Born models for electrostatics can reproduce PDE-based calculations to within a few percent and are extremely computationally efficient but do not always faithfully reproduce interactions between chemical groups. Recent work has shown that a boundary-integral-equation formulation of the PDE problem leads naturally to a new approach called boundary-integral-based electrostatics estimation (BIBEE) to approximate electrostatic interactions. In the present paper, we prove that the BIBEE method can be used to rigorously bound the actual continuum-theory electrostatic free energy. The bounds are validated using a set of more than 600 proteins. Detailed numerical results are presented for structures of the peptide met-enkephalin taken from a molecular-dynamics simulation. These bounds, in combination with our demonstration that the BIBEE methods accurately reproduce pairwise interactions, suggest a new approach toward building a highly accurate yet computationally tractable electrostatic model.

Bounding the electrostatic free energies associated with linear continuum models of molecular solvation

NASA Astrophysics Data System (ADS)

Bardhan, Jaydeep P.; Knepley, Matthew G.; Anitescu, Mihai

2009-03-01

The importance of electrostatic interactions in molecular biology has driven extensive research toward the development of accurate and efficient theoretical and computational models. Linear continuum electrostatic theory has been surprisingly successful, but the computational costs associated with solving the associated partial differential equations (PDEs) preclude the theory's use in most dynamical simulations. Modern generalized-Born models for electrostatics can reproduce PDE-based calculations to within a few percent and are extremely computationally efficient but do not always faithfully reproduce interactions between chemical groups. Recent work has shown that a boundary-integral-equation formulation of the PDE problem leads naturally to a new approach called boundary-integral-based electrostatics estimation (BIBEE) to approximate electrostatic interactions. In the present paper, we prove that the BIBEE method can be used to rigorously bound the actual continuum-theory electrostatic free energy. The bounds are validated using a set of more than 600 proteins. Detailed numerical results are presented for structures of the peptide met-enkephalin taken from a molecular-dynamics simulation. These bounds, in combination with our demonstration that the BIBEE methods accurately reproduce pairwise interactions, suggest a new approach toward building a highly accurate yet computationally tractable electrostatic model.

A new state space model for the NASA/JPL 70-meter antenna servo controls

NASA Technical Reports Server (NTRS)

Hill, R. E.

1987-01-01

A control axis referenced model of the NASA/JPL 70-m antenna structure is combined with the dynamic equations of servo components to produce a comprehansive state variable (matrix) model of the coupled system. An interactive Fortran program for generating the linear system model and computing its salient parameters is described. Results are produced in a state variable, block diagram, and in factored transfer function forms to facilitate design and analysis by classical as well as modern control methods.

Special opportunities in helicopter aerodynamics

NASA Technical Reports Server (NTRS)

Mccroskey, W. J.

1983-01-01

Aerodynamic research relating to modern helicopters includes the study of three dimensional, unsteady, nonlinear flow fields. A selective review is made of some of the phenomenon that hamper the development of satisfactory engineering prediction techniques, but which provides a rich source of research opportunities: flow separations, compressibility effects, complex vortical wakes, and aerodynamic interference between components. Several examples of work in progress are given, including dynamic stall alleviation, the development of computational methods for transonic flow, rotor-wake predictions, and blade-vortex interactions.

Assessing system reliability and allocating resources: a bayesian approach that integrates multi-level data

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

Graves, Todd L; Hamada, Michael S

2008-01-01

Good estimates of the reliability of a system make use of test data and expert knowledge at all available levels. Furthermore, by integrating all these information sources, one can determine how best to allocate scarce testing resources to reduce uncertainty. Both of these goals are facilitated by modern Bayesian computational methods. We apply these tools to examples that were previously solvable only through the use of ingenious approximations, and use genetic algorithms to guide resource allocation.

Modern Approaches to the Computation of the Probability of Target Detection in Cluttered Environments

NASA Astrophysics Data System (ADS)

Meitzler, Thomas J.

The field of computer vision interacts with fields such as psychology, vision research, machine vision, psychophysics, mathematics, physics, and computer science. The focus of this thesis is new algorithms and methods for the computation of the probability of detection (Pd) of a target in a cluttered scene. The scene can be either a natural visual scene such as one sees with the naked eye (visual), or, a scene displayed on a monitor with the help of infrared sensors. The relative clutter and the temperature difference between the target and background (DeltaT) are defined and then used to calculate a relative signal -to-clutter ratio (SCR) from which the Pd is calculated for a target in a cluttered scene. It is shown how this definition can include many previous definitions of clutter and (DeltaT). Next, fuzzy and neural -fuzzy techniques are used to calculate the Pd and it is shown how these methods can give results that have a good correlation with experiment. The experimental design for actually measuring the Pd of a target by observers is described. Finally, wavelets are applied to the calculation of clutter and it is shown how this new definition of clutter based on wavelets can be used to compute the Pd of a target.

Code Modernization of VPIC

NASA Astrophysics Data System (ADS)

Bird, Robert; Nystrom, David; Albright, Brian

2017-10-01

The ability of scientific simulations to effectively deliver performant computation is increasingly being challenged by successive generations of high-performance computing architectures. Code development to support efficient computation on these modern architectures is both expensive, and highly complex; if it is approached without due care, it may also not be directly transferable between subsequent hardware generations. Previous works have discussed techniques to support the process of adapting a legacy code for modern hardware generations, but despite the breakthroughs in the areas of mini-app development, portable-performance, and cache oblivious algorithms the problem still remains largely unsolved. In this work we demonstrate how a focus on platform agnostic modern code-development can be applied to Particle-in-Cell (PIC) simulations to facilitate effective scientific delivery. This work builds directly on our previous work optimizing VPIC, in which we replaced intrinsic based vectorisation with compile generated auto-vectorization to improve the performance and portability of VPIC. In this work we present the use of a specialized SIMD queue for processing some particle operations, and also preview a GPU capable OpenMP variant of VPIC. Finally we include a lessons learnt. Work performed under the auspices of the U.S. Dept. of Energy by the Los Alamos National Security, LLC Los Alamos National Laboratory under contract DE-AC52-06NA25396 and supported by the LANL LDRD program.

Computational Skills for Biology Students

ERIC Educational Resources Information Center

Gross, Louis J.

2008-01-01

This interview with Distinguished Science Award recipient Louis J. Gross highlights essential computational skills for modern biology, including: (1) teaching concepts listed in the Math & Bio 2010 report; (2) illustrating to students that jobs today require quantitative skills; and (3) resources and materials that focus on computational skills.

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

NASA Astrophysics Data System (ADS)

Burnett, W.

2016-12-01

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

2D-RBUC for efficient parallel compression of residuals

NASA Astrophysics Data System (ADS)

Đurđević, Đorđe M.; Tartalja, Igor I.

2018-02-01

In this paper, we present a method for lossless compression of residuals with an efficient SIMD parallel decompression. The residuals originate from lossy or near lossless compression of height fields, which are commonly used to represent models of terrains. The algorithm is founded on the existing RBUC method for compression of non-uniform data sources. We have adapted the method to capture 2D spatial locality of height fields, and developed the data decompression algorithm for modern GPU architectures already present even in home computers. In combination with the point-level SIMD-parallel lossless/lossy high field compression method HFPaC, characterized by fast progressive decompression and seamlessly reconstructed surface, the newly proposed method trades off small efficiency degradation for a non negligible compression ratio (measured up to 91%) benefit.

Improvements in the efficiency of turboexpanders in cryogenic applications

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

Agahi, R.R.; Lin, M.C.; Ershaghi, B.

1996-12-31

Process designers have utilized turboexpanders in cryogenic processes because of their higher thermal efficiencies when compared with conventional refrigeration cycles. Process design and equipment performance have improved substantially through the utilization of modern technologies. Turboexpander manufacturers have also adopted Computational Fluid Dynamic Software, Computer Numerical Control Technology and Holography Techniques to further improve an already impressive turboexpander efficiency performance. In this paper, the authors explain the design process of the turboexpander utilizing modern technology. Two cases of turboexpanders processing helium (4.35{degrees}K) and hydrogen (56{degrees}K) will be presented.

Stabilized FE simulation of prototype thermal-hydraulics problems with integrated adjoint-based capabilities

NASA Astrophysics Data System (ADS)

Shadid, J. N.; Smith, T. M.; Cyr, E. C.; Wildey, T. M.; Pawlowski, R. P.

2016-09-01

A critical aspect of applying modern computational solution methods to complex multiphysics systems of relevance to nuclear reactor modeling, is the assessment of the predictive capability of specific proposed mathematical models. In this respect the understanding of numerical error, the sensitivity of the solution to parameters associated with input data, boundary condition uncertainty, and mathematical models is critical. Additionally, the ability to evaluate and or approximate the model efficiently, to allow development of a reasonable level of statistical diagnostics of the mathematical model and the physical system, is of central importance. In this study we report on initial efforts to apply integrated adjoint-based computational analysis and automatic differentiation tools to begin to address these issues. The study is carried out in the context of a Reynolds averaged Navier-Stokes approximation to turbulent fluid flow and heat transfer using a particular spatial discretization based on implicit fully-coupled stabilized FE methods. Initial results are presented that show the promise of these computational techniques in the context of nuclear reactor relevant prototype thermal-hydraulics problems.

Data Science Priorities for a University Hospital-Based Institute of Infectious Diseases: A Viewpoint.

PubMed

Valleron, Alain-Jacques

2017-08-15

Automation of laboratory tests, bioinformatic analysis of biological sequences, and professional data management are used routinely in a modern university hospital-based infectious diseases institute. This dates back to at least the 1980s. However, the scientific methods of this 21st century are changing with the increased power and speed of computers, with the "big data" revolution having already happened in genomics and environment, and eventually arriving in medical informatics. The research will be increasingly "data driven," and the powerful machine learning methods whose efficiency is demonstrated in daily life will also revolutionize medical research. A university-based institute of infectious diseases must therefore not only gather excellent computer scientists and statisticians (as in the past, and as in any medical discipline), but also fully integrate the biologists and clinicians with these computer scientists, statisticians, and mathematical modelers having a broad culture in machine learning, knowledge representation, and knowledge discovery. © The Author 2017. Published by Oxford University Press for the Infectious Diseases Society of America. All rights reserved. For permissions, e-mail: journals.permissions@oup.com.

Stabilized FE simulation of prototype thermal-hydraulics problems with integrated adjoint-based capabilities

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

Shadid, J.N., E-mail: jnshadi@sandia.gov; Department of Mathematics and Statistics, University of New Mexico; Smith, T.M.

A critical aspect of applying modern computational solution methods to complex multiphysics systems of relevance to nuclear reactor modeling, is the assessment of the predictive capability of specific proposed mathematical models. In this respect the understanding of numerical error, the sensitivity of the solution to parameters associated with input data, boundary condition uncertainty, and mathematical models is critical. Additionally, the ability to evaluate and or approximate the model efficiently, to allow development of a reasonable level of statistical diagnostics of the mathematical model and the physical system, is of central importance. In this study we report on initial efforts tomore » apply integrated adjoint-based computational analysis and automatic differentiation tools to begin to address these issues. The study is carried out in the context of a Reynolds averaged Navier–Stokes approximation to turbulent fluid flow and heat transfer using a particular spatial discretization based on implicit fully-coupled stabilized FE methods. Initial results are presented that show the promise of these computational techniques in the context of nuclear reactor relevant prototype thermal-hydraulics problems.« less

Stabilized FE simulation of prototype thermal-hydraulics problems with integrated adjoint-based capabilities

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

Shadid, J. N.; Smith, T. M.; Cyr, E. C.

A critical aspect of applying modern computational solution methods to complex multiphysics systems of relevance to nuclear reactor modeling, is the assessment of the predictive capability of specific proposed mathematical models. The understanding of numerical error, the sensitivity of the solution to parameters associated with input data, boundary condition uncertainty, and mathematical models is critical. Additionally, the ability to evaluate and or approximate the model efficiently, to allow development of a reasonable level of statistical diagnostics of the mathematical model and the physical system, is of central importance. In our study we report on initial efforts to apply integrated adjoint-basedmore » computational analysis and automatic differentiation tools to begin to address these issues. The study is carried out in the context of a Reynolds averaged Navier–Stokes approximation to turbulent fluid flow and heat transfer using a particular spatial discretization based on implicit fully-coupled stabilized FE methods. We present the initial results that show the promise of these computational techniques in the context of nuclear reactor relevant prototype thermal-hydraulics problems.« less

Stabilized FE simulation of prototype thermal-hydraulics problems with integrated adjoint-based capabilities

DOE PAGES

Shadid, J. N.; Smith, T. M.; Cyr, E. C.; ...

2016-05-20

A critical aspect of applying modern computational solution methods to complex multiphysics systems of relevance to nuclear reactor modeling, is the assessment of the predictive capability of specific proposed mathematical models. The understanding of numerical error, the sensitivity of the solution to parameters associated with input data, boundary condition uncertainty, and mathematical models is critical. Additionally, the ability to evaluate and or approximate the model efficiently, to allow development of a reasonable level of statistical diagnostics of the mathematical model and the physical system, is of central importance. In our study we report on initial efforts to apply integrated adjoint-basedmore » computational analysis and automatic differentiation tools to begin to address these issues. The study is carried out in the context of a Reynolds averaged Navier–Stokes approximation to turbulent fluid flow and heat transfer using a particular spatial discretization based on implicit fully-coupled stabilized FE methods. We present the initial results that show the promise of these computational techniques in the context of nuclear reactor relevant prototype thermal-hydraulics problems.« less

Ptolemy's Britain and Ireland: A New Digital Reconstruction

NASA Astrophysics Data System (ADS)

Abshire, Corey; Durham, Anthony; Gusev, Dmitri A.; Stafeyev, Sergey K.

2018-05-01

In this paper, we expand application of our mathematical methods for translating ancient coordinates from the classical Geography by Claudius Ptolemy into modern coordinates from India and Arabia to Britain and Ireland, historically important islands on the periphery of the ancient Roman Empire. The methods include triangulation and flocking with subsequent Bayesian correction. The results of our work can be conveniently visualized in modern GIS tools, such as ArcGIS, QGIS, and Google Earth. The enhancements we have made include a novel technique for handling tentatively identified points. We compare the precision of reconstruction achieved for Ptolemy's Britain and Ireland with the precisions that we had computed earlier for his India before the Ganges and three provinces of Arabia. We also provide improved validation and comparison amongst the methods applied. We compare our results with the prior work, while utilizing knowledge from such important ancient sources as the Antonine Itinerary, Tabula Peutingeriana, and the Ravenna Cosmography. The new digital reconstruction of Claudius Ptolemy's Britain and Ireland presented in this paper, along with the accompanying linguistic analysis of ancient toponyms, contributes to improvement of understanding of our cultural cartographic heritage by making it easier to study the ancient world using the popular and accessible GIS programs.

Re-analysis of Alaskan benchmark glacier mass-balance data using the index method

USGS Publications Warehouse

Van Beusekom, Ashely E.; O'Nell, Shad R.; March, Rod S.; Sass, Louis C.; Cox, Leif H.

2010-01-01

At Gulkana and Wolverine Glaciers, designated the Alaskan benchmark glaciers, we re-analyzed and re-computed the mass balance time series from 1966 to 2009 to accomplish our goal of making more robust time series. Each glacier's data record was analyzed with the same methods. For surface processes, we estimated missing information with an improved degree-day model. Degree-day models predict ablation from the sum of daily mean temperatures and an empirical degree-day factor. We modernized the traditional degree-day model and derived new degree-day factors in an effort to match the balance time series more closely. We estimated missing yearly-site data with a new balance gradient method. These efforts showed that an additional step needed to be taken at Wolverine Glacier to adjust for non-representative index sites. As with the previously calculated mass balances, the re-analyzed balances showed a continuing trend of mass loss. We noted that the time series, and thus our estimate of the cumulative mass loss over the period of record, was very sensitive to the data input, and suggest the need to add data-collection sites and modernize our weather stations.

A Large-Scale Design Integration Approach Developed in Conjunction with the Ares Launch Vehicle Program

NASA Technical Reports Server (NTRS)

Redmon, John W.; Shirley, Michael C.; Kinard, Paul S.

2012-01-01

This paper presents a method for performing large-scale design integration, taking a classical 2D drawing envelope and interface approach and applying it to modern three dimensional computer aided design (3D CAD) systems. Today, the paradigm often used when performing design integration with 3D models involves a digital mockup of an overall vehicle, in the form of a massive, fully detailed, CAD assembly; therefore, adding unnecessary burden and overhead to design and product data management processes. While fully detailed data may yield a broad depth of design detail, pertinent integration features are often obscured under the excessive amounts of information, making them difficult to discern. In contrast, the envelope and interface method results in a reduction in both the amount and complexity of information necessary for design integration while yielding significant savings in time and effort when applied to today's complex design integration projects. This approach, combining classical and modern methods, proved advantageous during the complex design integration activities of the Ares I vehicle. Downstream processes, benefiting from this approach by reducing development and design cycle time, include: Creation of analysis models for the Aerodynamic discipline; Vehicle to ground interface development; Documentation development for the vehicle assembly.

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

NASA Astrophysics Data System (ADS)

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

2016-05-01

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

A Correlation-Based Transition Model using Local Variables. Part 2; Test Cases and Industrial Applications

NASA Technical Reports Server (NTRS)

Langtry, R. B.; Menter, F. R.; Likki, S. R.; Suzen, Y. B.; Huang, P. G.; Volker, S.

2006-01-01

A new correlation-based transition model has been developed, which is built strictly on local variables. As a result, the transition model is compatible with modern computational fluid dynamics (CFD) methods using unstructured grids and massive parallel execution. The model is based on two transport equations, one for the intermittency and one for the transition onset criteria in terms of momentum thickness Reynolds number. The proposed transport equations do not attempt to model the physics of the transition process (unlike, e.g., turbulence models), but form a framework for the implementation of correlation-based models into general-purpose CFD methods.

Advances in numerical and applied mathematics

NASA Technical Reports Server (NTRS)

South, J. C., Jr. (Editor); Hussaini, M. Y. (Editor)

1986-01-01

This collection of papers covers some recent developments in numerical analysis and computational fluid dynamics. Some of these studies are of a fundamental nature. They address basic issues such as intermediate boundary conditions for approximate factorization schemes, existence and uniqueness of steady states for time dependent problems, and pitfalls of implicit time stepping. The other studies deal with modern numerical methods such as total variation diminishing schemes, higher order variants of vortex and particle methods, spectral multidomain techniques, and front tracking techniques. There is also a paper on adaptive grids. The fluid dynamics papers treat the classical problems of imcompressible flows in helically coiled pipes, vortex breakdown, and transonic flows.

[Genomics innovative teaching pattern based upon amalgamation between modern educational technology and constructivism studying theory].

PubMed

Liang, Xu-Fang; Peng, Jing; Zhou, Tian-Hong

2007-04-01

In order to overcome various malpractices in the traditional teaching methods, and also as part of the Guangdong province molecular biology perfect course project, some reforms were carried out to the teaching pattern of genomics. The reforms include using the foreign original teaching materials, bilingual teaching, as well as taking the constructivism-directed discussion teaching method and the multimedia computer-assisted instruction. To improve the scoring way and the laboratory course of the subject, we carried on a multiplex inspection systems and a self-designing experiments. Through the teaching reform on Genomics, we have gradually consummated the construction of molecular biology curriculum system.

Improved Fractal Space Filling Curves Hybrid Optimization Algorithm for Vehicle Routing Problem.

PubMed

Yue, Yi-xiang; Zhang, Tong; Yue, Qun-xing

2015-01-01

Vehicle Routing Problem (VRP) is one of the key issues in optimization of modern logistics system. In this paper, a modified VRP model with hard time window is established and a Hybrid Optimization Algorithm (HOA) based on Fractal Space Filling Curves (SFC) method and Genetic Algorithm (GA) is introduced. By incorporating the proposed algorithm, SFC method can find an initial and feasible solution very fast; GA is used to improve the initial solution. Thereafter, experimental software was developed and a large number of experimental computations from Solomon's benchmark have been studied. The experimental results demonstrate the feasibility and effectiveness of the HOA.

Improved Fractal Space Filling Curves Hybrid Optimization Algorithm for Vehicle Routing Problem

PubMed Central

Yue, Yi-xiang; Zhang, Tong; Yue, Qun-xing

2015-01-01

Vehicle Routing Problem (VRP) is one of the key issues in optimization of modern logistics system. In this paper, a modified VRP model with hard time window is established and a Hybrid Optimization Algorithm (HOA) based on Fractal Space Filling Curves (SFC) method and Genetic Algorithm (GA) is introduced. By incorporating the proposed algorithm, SFC method can find an initial and feasible solution very fast; GA is used to improve the initial solution. Thereafter, experimental software was developed and a large number of experimental computations from Solomon's benchmark have been studied. The experimental results demonstrate the feasibility and effectiveness of the HOA. PMID:26167171

[Possibilities of use of digital imaging in forensic medicine].

PubMed

Gaval'a, P; Ivicsics, I; Mlynár, J; Novomeský, F

2005-07-01

Based on the daily practice with digital photography and documentation, the authors point out the achievements of the computer technologies implementation to the practice of forensic medicine. The modern methods of imaging, especially the digital photography, offer a wide spectrum of use in forensic medicine--the digital documentation and archivation of autopsy findings, the possibility of immediate consultation of findings with another experts via Internet, and many others. Another possibility is a creation of digital photographic atlas of forensic medicine as a useful aid in pre- and postgradual study. Thus the application of the state-of-the-art computer technologies to the forensic medicine discloses the unknown before possibilities for further development of such a discipline of human medical sciences.

Large-scale image region documentation for fully automated image biomarker algorithm development and evaluation

PubMed Central

Reeves, Anthony P.; Xie, Yiting; Liu, Shuang

2017-01-01

Abstract. With the advent of fully automated image analysis and modern machine learning methods, there is a need for very large image datasets having documented segmentations for both computer algorithm training and evaluation. This paper presents a method and implementation for facilitating such datasets that addresses the critical issue of size scaling for algorithm validation and evaluation; current evaluation methods that are usually used in academic studies do not scale to large datasets. This method includes protocols for the documentation of many regions in very large image datasets; the documentation may be incrementally updated by new image data and by improved algorithm outcomes. This method has been used for 5 years in the context of chest health biomarkers from low-dose chest CT images that are now being used with increasing frequency in lung cancer screening practice. The lung scans are segmented into over 100 different anatomical regions, and the method has been applied to a dataset of over 20,000 chest CT images. Using this framework, the computer algorithms have been developed to achieve over 90% acceptable image segmentation on the complete dataset. PMID:28612037

Modern design of a fast front-end computer

NASA Astrophysics Data System (ADS)

Šoštarić, Z.; Anic̈ić, D.; Sekolec, L.; Su, J.

1994-12-01

Front-end computers (FEC) at Paul Scherrer Institut provide access to accelerator CAMAC-based sensors and actuators by way of a local area network. In the scope of the new generation FEC project, a front-end is regarded as a collection of services. The functionality of one such service is described in terms of Yourdon's environment, behaviour, processor and task models. The computational model (software representation of the environment) of the service is defined separately, using the information model of the Shlaer-Mellor method, and Sather OO language. In parallel with the analysis and later with the design, a suite of test programmes was developed to evaluate the feasibility of different computing platforms for the project and a set of rapid prototypes was produced to resolve different implementation issues. The past and future aspects of the project and its driving forces are presented. Justification of the choice of methodology, platform and requirement, is given. We conclude with a description of the present state, priorities and limitations of our project.

Physics and Robotic Sensing -- the good, the bad, and approaches to making it work

NASA Astrophysics Data System (ADS)

Huff, Brian

2011-03-01

All of the technological advances that have benefited consumer electronics have direct application to robotics. Technological advances have resulted in the dramatic reduction in size, cost, and weight of computing systems, while simultaneously doubling computational speed every eighteen months. The same manufacturing advancements that have enabled this rapid increase in computational power are now being leveraged to produce small, powerful and cost-effective sensing technologies applicable for use in mobile robotics applications. Despite the increase in computing and sensing resources available to today's robotic systems developers, there are sensing problems typically found in unstructured environments that continue to frustrate the widespread use of robotics and unmanned systems. This talk presents how physics has contributed to the creation of the technologies that are making modern robotics possible. The talk discusses theoretical approaches to robotic sensing that appear to suffer when they are deployed in the real world. Finally the author presents methods being used to make robotic sensing more robust.

Massively Parallel Signal Processing using the Graphics Processing Unit for Real-Time Brain-Computer Interface Feature Extraction.

PubMed

Wilson, J Adam; Williams, Justin C

2009-01-01

The clock speeds of modern computer processors have nearly plateaued in the past 5 years. Consequently, neural prosthetic systems that rely on processing large quantities of data in a short period of time face a bottleneck, in that it may not be possible to process all of the data recorded from an electrode array with high channel counts and bandwidth, such as electrocorticographic grids or other implantable systems. Therefore, in this study a method of using the processing capabilities of a graphics card [graphics processing unit (GPU)] was developed for real-time neural signal processing of a brain-computer interface (BCI). The NVIDIA CUDA system was used to offload processing to the GPU, which is capable of running many operations in parallel, potentially greatly increasing the speed of existing algorithms. The BCI system records many channels of data, which are processed and translated into a control signal, such as the movement of a computer cursor. This signal processing chain involves computing a matrix-matrix multiplication (i.e., a spatial filter), followed by calculating the power spectral density on every channel using an auto-regressive method, and finally classifying appropriate features for control. In this study, the first two computationally intensive steps were implemented on the GPU, and the speed was compared to both the current implementation and a central processing unit-based implementation that uses multi-threading. Significant performance gains were obtained with GPU processing: the current implementation processed 1000 channels of 250 ms in 933 ms, while the new GPU method took only 27 ms, an improvement of nearly 35 times.

The Application of a Massively Parallel Computer to the Simulation of Electrical Wave Propagation Phenomena in the Heart Muscle Using Simplified Models

NASA Technical Reports Server (NTRS)

Karpoukhin, Mikhii G.; Kogan, Boris Y.; Karplus, Walter J.

1995-01-01

The simulation of heart arrhythmia and fibrillation are very important and challenging tasks. The solution of these problems using sophisticated mathematical models is beyond the capabilities of modern super computers. To overcome these difficulties it is proposed to break the whole simulation problem into two tightly coupled stages: generation of the action potential using sophisticated models. and propagation of the action potential using simplified models. The well known simplified models are compared and modified to bring the rate of depolarization and action potential duration restitution closer to reality. The modified method of lines is used to parallelize the computational process. The conditions for the appearance of 2D spiral waves after the application of a premature beat and the subsequent traveling of the spiral wave inside the simulated tissue are studied.

Using machine learning to accelerate sampling-based inversion

NASA Astrophysics Data System (ADS)

Valentine, A. P.; Sambridge, M.

2017-12-01

In most cases, a complete solution to a geophysical inverse problem (including robust understanding of the uncertainties associated with the result) requires a sampling-based approach. However, the computational burden is high, and proves intractable for many problems of interest. There is therefore considerable value in developing techniques that can accelerate sampling procedures.The main computational cost lies in evaluation of the forward operator (e.g. calculation of synthetic seismograms) for each candidate model. Modern machine learning techniques-such as Gaussian Processes-offer a route for constructing a computationally-cheap approximation to this calculation, which can replace the accurate solution during sampling. Importantly, the accuracy of the approximation can be refined as inversion proceeds, to ensure high-quality results.In this presentation, we describe and demonstrate this approach-which can be seen as an extension of popular current methods, such as the Neighbourhood Algorithm, and bridges the gap between prior- and posterior-sampling frameworks.

Turbulent heat transfer performance of single stage turbine

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

Amano, R.S.; Song, B.

1999-07-01

To increase the efficiency and the power of modern power plant gas turbines, designers are continually trying to raise the maximum turbine inlet temperature. Here, a numerical study based on the Navier-Stokes equations on a three-dimensional turbulent flow in a single stage turbine stator/rotor passage has been conducted and reported in this paper. The full Reynolds-stress closure model (RSM) was used for the computations and the results were also compared with the computations made by using the Launder-Sharma low-Reynolds-number {kappa}-{epsilon} model. The computational results obtained using these models were compared in order to investigate the turbulence effect in the near-wallmore » region. The set of the governing equations in a generalized curvilinear coordinate system was discretized by using the finite volume method with non-staggered grids. The numerical modeling was performed to interact between the stator and rotor blades.« less

[HYGIENIC REGULATION OF THE USE OF ELECTRONIC EDUCATIONAL RESOURCES IN THE MODERN SCHOOL].

PubMed

Stepanova, M I; Aleksandrova, I E; Sazanyuk, Z I; Voronova, B Z; Lashneva, L P; Shumkova, T V; Berezina, N O

2015-01-01

We studied the effect of academic studies with the use a notebook computer and interactive whiteboard on the functional state of an organism of schoolchildren. Using a complex of hygienic and physiological methods of the study we established that regulation of the computer activity of students must take into account not only duration but its intensity either. Design features of a notebook computer were shown both to impede keeping the optimal working posture in primary school children and increase the risk offormation of disorders of vision and musculoskeletal system. There were established the activating influence of the interactive whiteboard on performance activities and favorable dynamics of indices of the functional state of the organism of students under keeping optimal density of the academic study and the duration of its use. There are determined safety regulations of the work of schoolchildren with electronic resources in the educational process.

New method of processing heat treatment experiments with numerical simulation support

NASA Astrophysics Data System (ADS)

Kik, T.; Moravec, J.; Novakova, I.

2017-08-01

In this work, benefits of combining modern software for numerical simulations of welding processes with laboratory research was described. Proposed new method of processing heat treatment experiments leading to obtaining relevant input data for numerical simulations of heat treatment of large parts was presented. It is now possible, by using experiments on small tested samples, to simulate cooling conditions comparable with cooling of bigger parts. Results from this method of testing makes current boundary conditions during real cooling process more accurate, but also can be used for improvement of software databases and optimization of a computational models. The point is to precise the computation of temperature fields for large scale hardening parts based on new method of temperature dependence determination of the heat transfer coefficient into hardening media for the particular material, defined maximal thickness of processed part and cooling conditions. In the paper we will also present an example of the comparison standard and modified (according to newly suggested methodology) heat transfer coefficient data’s and theirs influence on the simulation results. It shows how even the small changes influence mainly on distribution of temperature, metallurgical phases, hardness and stresses distribution. By this experiment it is also possible to obtain not only input data and data enabling optimization of computational model but at the same time also verification data. The greatest advantage of described method is independence of used cooling media type.

A Prospectus for the Future Development of a Speech Lab: Hypertext Applications.

ERIC Educational Resources Information Center

Berube, David M.

This paper presents a plan for the next generation of speech laboratories which integrates technologies of modern communication in order to improve and modernize the instructional process. The paper first examines the application of intermediate technologies including audio-video recording and playback, computer assisted instruction and testing…

MODERN LINGUISTICS, ITS DEVELOPMENT AND SCOPE.

ERIC Educational Resources Information Center

LEVIN, SAMUEL R.

THE DEVELOPMENT OF MODERN LINGUISTICS STARTED WITH JONES' DISCOVERY IN 1786 THAT SANSKRIT IS CLOSELY RELATED TO THE CLASSICAL, GERMANIC, AND CELTIC LANGUAGES, AND HAS ADVANCED TO INCLUDE THE APPLICATION OF COMPUTERS IN LANGUAGE ANALYSIS. THE HIGHLIGHTS OF LINGUISTIC RESEARCH HAVE BEEN DE SAUSSURE'S DISTINCTION BETWEEN THE DIACHRONIC AND THE…

Chaotic dynamical aperture

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

Lee, S.Y.; Tepikian, S.

1985-01-01

Nonlinear magnetic forces become more important for particles in the modern large accelerators. These nonlinear elements are introduced either intentionally to control beam dynamics or by uncontrollable random errors. Equations of motion in the nonlinear Hamiltonian are usually non-integrable. Because of the nonlinear part of the Hamiltonian, the tune diagram of accelerators is a jungle. Nonlinear magnet multipoles are important in keeping the accelerator operation point in the safe quarter of the hostile jungle of resonant tunes. Indeed, all the modern accelerator designs have taken advantages of nonlinear mechanics. On the other hand, the effect of the uncontrollable random multipolesmore » should be evaluated carefully. A powerful method of studying the effect of these nonlinear multipoles is using a particle tracking calculation, where a group of test particles are tracing through these magnetic multipoles in the accelerator hundreds to millions of turns in order to test the dynamical aperture of the machine. These methods are extremely useful in the design of a large accelerator such as SSC, LEP, HERA and RHIC. These calculations unfortunately take a tremendous amount of computing time. In this review the method of determining chaotic orbit and applying the method to nonlinear problems in accelerator physics is discussed. We then discuss the scaling properties and effect of random sextupoles.« less

Visualizing functional motions of membrane transporters with molecular dynamics simulations.

PubMed

Shaikh, Saher A; Li, Jing; Enkavi, Giray; Wen, Po-Chao; Huang, Zhijian; Tajkhorshid, Emad

2013-01-29

Computational modeling and molecular simulation techniques have become an integral part of modern molecular research. Various areas of molecular sciences continue to benefit from, indeed rely on, the unparalleled spatial and temporal resolutions offered by these technologies, to provide a more complete picture of the molecular problems at hand. Because of the continuous development of more efficient algorithms harvesting ever-expanding computational resources, and the emergence of more advanced and novel theories and methodologies, the scope of computational studies has expanded significantly over the past decade, now including much larger molecular systems and far more complex molecular phenomena. Among the various computer modeling techniques, the application of molecular dynamics (MD) simulation and related techniques has particularly drawn attention in biomolecular research, because of the ability of the method to describe the dynamical nature of the molecular systems and thereby to provide a more realistic representation, which is often needed for understanding fundamental molecular properties. The method has proven to be remarkably successful in capturing molecular events and structural transitions highly relevant to the function and/or physicochemical properties of biomolecular systems. Herein, after a brief introduction to the method of MD, we use a number of membrane transport proteins studied in our laboratory as examples to showcase the scope and applicability of the method and its power in characterizing molecular motions of various magnitudes and time scales that are involved in the function of this important class of membrane proteins.

Advances in medical image computing.

PubMed

Tolxdorff, T; Deserno, T M; Handels, H; Meinzer, H-P

2009-01-01

Medical image computing has become a key technology in high-tech applications in medicine and an ubiquitous part of modern imaging systems and the related processes of clinical diagnosis and intervention. Over the past years significant progress has been made in the field, both on methodological and on application level. Despite this progress there are still big challenges to meet in order to establish image processing routinely in health care. In this issue, selected contributions of the German Conference on Medical Image Processing (BVM) are assembled to present latest advances in the field of medical image computing. The winners of scientific awards of the German Conference on Medical Image Processing (BVM) 2008 were invited to submit a manuscript on their latest developments and results for possible publication in Methods of Information in Medicine. Finally, seven excellent papers were selected to describe important aspects of recent advances in the field of medical image processing. The selected papers give an impression of the breadth and heterogeneity of new developments. New methods for improved image segmentation, non-linear image registration and modeling of organs are presented together with applications of image analysis methods in different medical disciplines. Furthermore, state-of-the-art tools and techniques to support the development and evaluation of medical image processing systems in practice are described. The selected articles describe different aspects of the intense development in medical image computing. The image processing methods presented enable new insights into the patient's image data and have the future potential to improve medical diagnostics and patient treatment.

Visualizing Functional Motions of Membrane Transporters with Molecular Dynamics Simulations

PubMed Central

2013-01-01

Computational modeling and molecular simulation techniques have become an integral part of modern molecular research. Various areas of molecular sciences continue to benefit from, indeed rely on, the unparalleled spatial and temporal resolutions offered by these technologies, to provide a more complete picture of the molecular problems at hand. Because of the continuous development of more efficient algorithms harvesting ever-expanding computational resources, and the emergence of more advanced and novel theories and methodologies, the scope of computational studies has expanded significantly over the past decade, now including much larger molecular systems and far more complex molecular phenomena. Among the various computer modeling techniques, the application of molecular dynamics (MD) simulation and related techniques has particularly drawn attention in biomolecular research, because of the ability of the method to describe the dynamical nature of the molecular systems and thereby to provide a more realistic representation, which is often needed for understanding fundamental molecular properties. The method has proven to be remarkably successful in capturing molecular events and structural transitions highly relevant to the function and/or physicochemical properties of biomolecular systems. Herein, after a brief introduction to the method of MD, we use a number of membrane transport proteins studied in our laboratory as examples to showcase the scope and applicability of the method and its power in characterizing molecular motions of various magnitudes and time scales that are involved in the function of this important class of membrane proteins. PMID:23298176

Ordering Unstructured Meshes for Sparse Matrix Computations on Leading Parallel Systems

NASA Technical Reports Server (NTRS)

Oliker, Leonid; Li, Xiaoye; Heber, Gerd; Biswas, Rupak

2000-01-01

The ability of computers to solve hitherto intractable problems and simulate complex processes using mathematical models makes them an indispensable part of modern science and engineering. Computer simulations of large-scale realistic applications usually require solving a set of non-linear partial differential equations (PDES) over a finite region. For example, one thrust area in the DOE Grand Challenge projects is to design future accelerators such as the SpaHation Neutron Source (SNS). Our colleagues at SLAC need to model complex RFQ cavities with large aspect ratios. Unstructured grids are currently used to resolve the small features in a large computational domain; dynamic mesh adaptation will be added in the future for additional efficiency. The PDEs for electromagnetics are discretized by the FEM method, which leads to a generalized eigenvalue problem Kx = AMx, where K and M are the stiffness and mass matrices, and are very sparse. In a typical cavity model, the number of degrees of freedom is about one million. For such large eigenproblems, direct solution techniques quickly reach the memory limits. Instead, the most widely-used methods are Krylov subspace methods, such as Lanczos or Jacobi-Davidson. In all the Krylov-based algorithms, sparse matrix-vector multiplication (SPMV) must be performed repeatedly. Therefore, the efficiency of SPMV usually determines the eigensolver speed. SPMV is also one of the most heavily used kernels in large-scale numerical simulations.

Atomistic models for free energy evaluation of drug binding to membrane proteins.

PubMed

Durdagi, S; Zhao, C; Cuervo, J E; Noskov, S Y

2011-01-01

The binding of various molecules to integral membrane proteins with optimal affinity and specificity is central to normal function of cell. While membrane proteins represent about one third of the whole cell proteome, they are a majority of common drug targets. The quest for the development of computational models capable of accurate evaluation of binding affinities, decomposition of the binding into its principal components and thus mapping molecular mechanisms of binding remains one of the main goals of modern computational biophysics and related drug development. The primary scope of this review will be on the recent extension of computational methods for the study of drug binding to membrane proteins. Several examples of such applications will be provided ranging from secondary transporters to voltage gated channels. In this mini-review, we will provide a short summary on the breadth of different methods for binding affinity evaluation. These methods include molecular docking with docking scoring functions, molecular dynamics (MD) simulations combined with post-processing analysis using Molecular Mechanics/Poisson Boltzmann (Generalized Born) Surface Area (MM/PB(GB)SA), as well as direct evaluation of free energies from Free Energy Perturbation (FEP) with constraining schemes, and Potential of Mean Force (PMF) computations. We will compare advantages and shortcomings of popular techniques and provide discussion on the integrative strategies for drug development aimed at targeting membrane proteins.

Quantitative Investigation of the Technologies That Support Cloud Computing

ERIC Educational Resources Information Center

Hu, Wenjin

2014-01-01

Cloud computing is dramatically shaping modern IT infrastructure. It virtualizes computing resources, provides elastic scalability, serves as a pay-as-you-use utility, simplifies the IT administrators' daily tasks, enhances the mobility and collaboration of data, and increases user productivity. We focus on providing generalized black-box…

Graphical User Interface Programming in Introductory Computer Science.

ERIC Educational Resources Information Center

Skolnick, Michael M.; Spooner, David L.

Modern computing systems exploit graphical user interfaces for interaction with users; as a result, introductory computer science courses must begin to teach the principles underlying such interfaces. This paper presents an approach to graphical user interface (GUI) implementation that is simple enough for beginning students to understand, yet…

Coordinating Technological Resources in a Non-Technical Profession: The Administrative Computer User Group.

ERIC Educational Resources Information Center

Rollo, J. Michael; Marmarchev, Helen L.

1999-01-01

The explosion of computer applications in the modern workplace has required student affairs professionals to keep pace with technological advances for office productivity. This article recommends establishing an administrative computer user groups, utilizing coordinated web site development, and enhancing working relationships as ways of dealing…

Computer Problem-Solving Coaches for Introductory Physics: Design and Usability Studies

ERIC Educational Resources Information Center

Ryan, Qing X.; Frodermann, Evan; Heller, Kenneth; Hsu, Leonardo; Mason, Andrew

2016-01-01

The combination of modern computing power, the interactivity of web applications, and the flexibility of object-oriented programming may finally be sufficient to create computer coaches that can help students develop metacognitive problem-solving skills, an important competence in our rapidly changing technological society. However, no matter how…

Introduction to the theory of machines and languages

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

Weidhaas, P. P.

1976-04-01

This text is intended to be an elementary ''guided tour'' through some basic concepts of modern computer science. Various models of computing machines and formal languages are studied in detail. Discussions center around questions such as, ''What is the scope of problems that can or cannot be solved by computers.''

Computer-Aided Instruction in Automated Instrumentation.

ERIC Educational Resources Information Center

Stephenson, David T.

1986-01-01

Discusses functions of automated instrumentation systems, i.e., systems which combine electrical measuring instruments and a controlling computer to measure responses of a unit under test. The computer-assisted tutorial then described is programmed for use on such a system--a modern microwave spectrum analyzer--to introduce engineering students to…

Model-based phase-shifting interferometer

NASA Astrophysics Data System (ADS)

Liu, Dong; Zhang, Lei; Shi, Tu; Yang, Yongying; Chong, Shiyao; Miao, Liang; Huang, Wei; Shen, Yibing; Bai, Jian

2015-10-01

A model-based phase-shifting interferometer (MPI) is developed, in which a novel calculation technique is proposed instead of the traditional complicated system structure, to achieve versatile, high precision and quantitative surface tests. In the MPI, the partial null lens (PNL) is employed to implement the non-null test. With some alternative PNLs, similar as the transmission spheres in ZYGO interferometers, the MPI provides a flexible test for general spherical and aspherical surfaces. Based on modern computer modeling technique, a reverse iterative optimizing construction (ROR) method is employed for the retrace error correction of non-null test, as well as figure error reconstruction. A self-compiled ray-tracing program is set up for the accurate system modeling and reverse ray tracing. The surface figure error then can be easily extracted from the wavefront data in forms of Zernike polynomials by the ROR method. Experiments of the spherical and aspherical tests are presented to validate the flexibility and accuracy. The test results are compared with those of Zygo interferometer (null tests), which demonstrates the high accuracy of the MPI. With such accuracy and flexibility, the MPI would possess large potential in modern optical shop testing.

Astronomical Optical Interferometry. I. Methods and Instrumentation

NASA Astrophysics Data System (ADS)

Jankov, S.

2010-12-01

Previous decade has seen an achievement of large interferometric projects including 8-10m telescopes and 100m class baselines. Modern computer and control technology has enabled the interferometric combination of light from separate telescopes also in the visible and infrared regimes. Imaging with milli-arcsecond (mas) resolution and astrometry with micro-arcsecond (muas) precision have thus become reality. Here, I review the methods and instrumentation corresponding to the current state in the field of astronomical optical interferometry. First, this review summarizes the development from the pioneering works of Fizeau and Michelson. Next, the fundamental observables are described, followed by the discussion of the basic design principles of modern interferometers. The basic interferometric techniques such as speckle and aperture masking interferometry, aperture synthesis and nulling interferometry are disscused as well. Using the experience of past and existing facilities to illustrate important points, I consider particularly the new generation of large interferometers that has been recently commissioned (most notably, the CHARA, Keck, VLT and LBT Interferometers). Finally, I discuss the longer-term future of optical interferometry, including the possibilities of new large-scale ground-based projects and prospects for space interferometry.

Investigation of near-surface chemical, physical and mechanical properties of silicon carbide crystals and fibers modified by ion implantation

NASA Astrophysics Data System (ADS)

Spitznagel, J. A.; Wood, Susan

1988-08-01

The Software Engineering institute is a federally funded research and development center sponsored by the Department of Defense (DOD). It was chartered by the Undersecretary of Defense for Research and Engineering on June 15, 1984. The SEI was established and is operated by Carnegie Mellon University (CUM) under contract F19628-C-0003, which was competitively awarded on December 28, 1984, by the Air Force Electronic Systems Division. The mission of the SEI is to provide the means to bring the ablest minds and the most effective technology to bear on the rapid improvement of the quality of operational software in mission-critical computer systems; to accelerate the reduction to practice of modern software engineering techniques and methods; to promulgate the use of modern techniques and methods throughout the mission-critical systems community; and to establish standards of excellence for the practice of software engineering. This report provides a summary of the programs and projects, staff, facilities, and service accomplishments of the Software Engineering Institute during 1987.

Application of laminar flow control to high-bypass-ratio turbofan engine nacelles

NASA Technical Reports Server (NTRS)

Wie, Y. S.; Collier, F. S., Jr.; Wagner, R. D.

1991-01-01

Recently, the concept of the application of hybrid laminar flow to modern commercial transport aircraft was successfully flight tested on a Boeing 757 aircraft. In this limited demonstration, in which only part of the upper surface of the swept wing was designed for the attainment of laminar flow, significant local drag reduction was measured. This paper addresses the potential application of this technology to laminarize the external surface of large, modern turbofan engine nacelles which may comprise as much as 5-10 percent of the total wetted area of future commercial transports. A hybrid-laminar-flow-control (HLFC) pressure distribution is specified and the corresponding nacelle geometry is computed utilizing a predictor/corrector design method. Linear stability calculations are conducted to provide predictions of the extent of the laminar boundary layer. Performance studies are presented to determine potential benefits in terms of reduced fuel consumption.

Ecological determinants of divorce: a structural approach to the explanation of Japanese divorce.

PubMed

Fukurai, H; Alston, J P

1992-01-01

This paper examines the ecological determinants of contemporary Japanese divorce rates on the prefectural level. LISREL and computer-generated graphics are the analytic methods used. The aggregate level of analysis demands the use of the ecological model which posits that demographic changes, economic activities, migration patterns, and the level of urbanization are significant predictors of divorce rate. Our analysis demonstrates that sex ratio, female labor force participation, female in-migration patterns, population increase, and net household income all play a significant role in affecting the divorce rate. Our findings also confirm the well-supported hypothesis that both population density and modernization positively influence modern Japan's divorce rates. The residual analysis also points out that in order to account for the large proportion of the unexplained variance of Japanese divorce, behavioral-related variables and island- or prefecture-specific dimensions need to be included in the ecological model of divorce.

Virtopsy: postmortem imaging of laryngeal foreign bodies.

PubMed

Oesterhelweg, Lars; Bolliger, Stephan A; Thali, Michael J; Ross, Steffen

2009-05-01

Death from corpora aliena in the larynx is a well-known entity in forensic pathology. The correct diagnosis of this cause of death is difficult without an autopsy, and misdiagnoses by external examination alone are common. To determine the postmortem usefulness of modern imaging techniques in the diagnosis of foreign bodies in the larynx, multislice computed tomography, magnetic resonance imaging, and postmortem full-body computed tomography-angiography were performed. Three decedents with a suspected foreign body in the larynx underwent the 3 different imaging techniques before medicolegal autopsy. Multislice computed tomography has a high diagnostic value in the noninvasive localization of a foreign body and abnormalities in the larynx. The differentiation between neoplasm or soft foreign bodies (eg, food) is possible, but difficult, by unenhanced multislice computed tomography. By magnetic resonance imaging, the discrimination of the soft tissue structures and soft foreign bodies is much easier. In addition to the postmortem multislice computed tomography, the combination with postmortem angiography will increase the diagnostic value. Postmortem, cross-sectional imaging methods are highly valuable procedures for the noninvasive detection of corpora aliena in the larynx.

How to Write a Reproducible Paper

NASA Astrophysics Data System (ADS)

Irving, D. B.

2016-12-01

The geosciences have undergone a computational revolution in recent decades, to the point where almost all modern research relies heavily on software and code. Despite this profound change in the research methods employed by geoscientists, the reporting of computational results has changed very little in academic journals. This lag has led to something of a reproducibility crisis, whereby it is impossible to replicate and verify most of today's published computational results. While it is tempting to decry the slow response of journals and funding agencies in the face of this crisis, there are very few examples of reproducible research upon which to base new communication standards. In an attempt to address this deficiency, this presentation will describe a procedure for reporting computational results that was employed in a recent Journal of Climate paper. The procedure was developed to be consistent with recommended computational best practices and seeks to minimize the time burden on authors, which has been identified as the most important barrier to publishing code. It should provide a starting point for geoscientists looking to publish reproducible research, and could be adopted by journals as a formal minimum communication standard.

Computational Pathology: A Path Ahead.

PubMed

Louis, David N; Feldman, Michael; Carter, Alexis B; Dighe, Anand S; Pfeifer, John D; Bry, Lynn; Almeida, Jonas S; Saltz, Joel; Braun, Jonathan; Tomaszewski, John E; Gilbertson, John R; Sinard, John H; Gerber, Georg K; Galli, Stephen J; Golden, Jeffrey A; Becich, Michael J

2016-01-01

We define the scope and needs within the new discipline of computational pathology, a discipline critical to the future of both the practice of pathology and, more broadly, medical practice in general. To define the scope and needs of computational pathology. A meeting was convened in Boston, Massachusetts, in July 2014 prior to the annual Association of Pathology Chairs meeting, and it was attended by a variety of pathologists, including individuals highly invested in pathology informatics as well as chairs of pathology departments. The meeting made recommendations to promote computational pathology, including clearly defining the field and articulating its value propositions; asserting that the value propositions for health care systems must include means to incorporate robust computational approaches to implement data-driven methods that aid in guiding individual and population health care; leveraging computational pathology as a center for data interpretation in modern health care systems; stating that realizing the value proposition will require working with institutional administrations, other departments, and pathology colleagues; declaring that a robust pipeline should be fostered that trains and develops future computational pathologists, for those with both pathology and nonpathology backgrounds; and deciding that computational pathology should serve as a hub for data-related research in health care systems. The dissemination of these recommendations to pathology and bioinformatics departments should help facilitate the development of computational pathology.

Design of Unstructured Adaptive (UA) NAS Parallel Benchmark Featuring Irregular, Dynamic Memory Accesses

NASA Technical Reports Server (NTRS)

Feng, Hui-Yu; VanderWijngaart, Rob; Biswas, Rupak; Biegel, Bryan (Technical Monitor)

2001-01-01

We describe the design of a new method for the measurement of the performance of modern computer systems when solving scientific problems featuring irregular, dynamic memory accesses. The method involves the solution of a stylized heat transfer problem on an unstructured, adaptive grid. A Spectral Element Method (SEM) with an adaptive, nonconforming mesh is selected to discretize the transport equation. The relatively high order of the SEM lowers the fraction of wall clock time spent on inter-processor communication, which eases the load balancing task and allows us to concentrate on the memory accesses. The benchmark is designed to be three-dimensional. Parallelization and load balance issues of a reference implementation will be described in detail in future reports.

Single-step methods for predicting orbital motion considering its periodic components

NASA Astrophysics Data System (ADS)

Lavrov, K. N.

1989-01-01

Modern numerical methods for integration of ordinary differential equations can provide accurate and universal solutions to celestial mechanics problems. The implicit single sequence algorithms of Everhart and multiple step computational schemes using a priori information on periodic components can be combined to construct implicit single sequence algorithms which combine their advantages. The construction and analysis of the properties of such algorithms are studied, utilizing trigonometric approximation of the solutions of differential equations containing periodic components. The algorithms require 10 percent more machine memory than the Everhart algorithms, but are twice as fast, and yield short term predictions valid for five to ten orbits with good accuracy and five to six times faster than algorithms using other methods.

An improved silhouette for human pose estimation

NASA Astrophysics Data System (ADS)

Hawes, Anthony H.; Iftekharuddin, Khan M.

2017-08-01

We propose a novel method for analyzing images that exploits the natural lines of a human poses to find areas where self-occlusion could be present. Errors caused by self-occlusion cause several modern human pose estimation methods to mis-identify body parts, which reduces the performance of most action recognition algorithms. Our method is motivated by the observation that, in several cases, occlusion can be reasoned using only boundary lines of limbs. An intelligent edge detection algorithm based on the above principle could be used to augment the silhouette with information useful for pose estimation algorithms and push forward progress on occlusion handling for human action recognition. The algorithm described is applicable to computer vision scenarios involving 2D images and (appropriated flattened) 3D images.

Bayesian learning

NASA Technical Reports Server (NTRS)

Denning, Peter J.

1989-01-01

In 1983 and 1984, the Infrared Astronomical Satellite (IRAS) detected 5,425 stellar objects and measured their infrared spectra. In 1987 a program called AUTOCLASS used Bayesian inference methods to discover the classes present in these data and determine the most probable class of each object, revealing unknown phenomena in astronomy. AUTOCLASS has rekindled the old debate on the suitability of Bayesian methods, which are computationally intensive, interpret probabilities as plausibility measures rather than frequencies, and appear to depend on a subjective assessment of the probability of a hypothesis before the data were collected. Modern statistical methods have, however, recently been shown to also depend on subjective elements. These debates bring into question the whole tradition of scientific objectivity and offer scientists a new way to take responsibility for their findings and conclusions.

Workflows for Full Waveform Inversions

NASA Astrophysics Data System (ADS)

Boehm, Christian; Krischer, Lion; Afanasiev, Michael; van Driel, Martin; May, Dave A.; Rietmann, Max; Fichtner, Andreas

2017-04-01

Despite many theoretical advances and the increasing availability of high-performance computing clusters, full seismic waveform inversions still face considerable challenges regarding data and workflow management. While the community has access to solvers which can harness modern heterogeneous computing architectures, the computational bottleneck has fallen to these often manpower-bounded issues that need to be overcome to facilitate further progress. Modern inversions involve huge amounts of data and require a tight integration between numerical PDE solvers, data acquisition and processing systems, nonlinear optimization libraries, and job orchestration frameworks. To this end we created a set of libraries and applications revolving around Salvus (http://salvus.io), a novel software package designed to solve large-scale full waveform inverse problems. This presentation focuses on solving passive source seismic full waveform inversions from local to global scales with Salvus. We discuss (i) design choices for the aforementioned components required for full waveform modeling and inversion, (ii) their implementation in the Salvus framework, and (iii) how it is all tied together by a usable workflow system. We combine state-of-the-art algorithms ranging from high-order finite-element solutions of the wave equation to quasi-Newton optimization algorithms using trust-region methods that can handle inexact derivatives. All is steered by an automated interactive graph-based workflow framework capable of orchestrating all necessary pieces. This naturally facilitates the creation of new Earth models and hopefully sparks new scientific insights. Additionally, and even more importantly, it enhances reproducibility and reliability of the final results.

Assessment of sex in a modern Turkish population using cranial anthropometric parameters.

PubMed

Ekizoglu, Oguzhan; Hocaoglu, Elif; Inci, Ercan; Can, Ismail Ozgur; Solmaz, Dilek; Aksoy, Sema; Buran, Cudi Ferat; Sayin, Ibrahim

2016-07-01

The utilization of radiological imaging methods in anthropometric studies is being expanded by the application of modern imaging methods, leading to a decrease in costs, a decrease in the time required for analysis and the ability to create three-dimensional images. This retrospective study investigated 400 patients within the 18-45-years age group (mean age: 30.7±11.2years) using cranial computed tomography images. We measured 14 anthropometric parameters (basion-bregma height, basion-prosthion length, maximum cranial length and cranial base lengths, maximum cranial breadth, bizygomatic diameter, upper facial breadth, bimastoid diameter, orbital breadth, orbital length, biorbital breadth, interorbital breadth, foramen magnum breadth and foramen magnum length) of cranial measurements. The intra- and inter-observer repeatability and consistency were good. From the results of logistic regression analysis using morphometric measurements, the most conspicuous measurements in terms of dimorphism were maximum cranial length, bizygomatic diameter, basion-bregma height, and cranial base length. The most dimorphic structure was the bizygomatic diameter with an accuracy rate of 83% in females and 77% in males. In this study, 87.5% of females and 87.0% of males were classified accurately by this model including four parameters with a sensitivity of 91.5% and specificity of 85.0%. In conclusion, CT cranial morphometric analysis may be reliable for the assessment of sex in the Turkish population and is recommended for comparison of data of modern populations with those of former populations. Additionally, cranial morphometric data that we obtained from modern Turkish population may reveal population specific data, which may help current criminal investigations and identification of disaster victims. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

Advancing Creative Visual Thinking with Constructive Function-Based Modelling

ERIC Educational Resources Information Center

Pasko, Alexander; Adzhiev, Valery; Malikova, Evgeniya; Pilyugin, Victor

2013-01-01

Modern education technologies are destined to reflect the realities of a modern digital age. The juxtaposition of real and synthetic (computer-generated) worlds as well as a greater emphasis on visual dimension are especially important characteristics that have to be taken into account in learning and teaching. We describe the ways in which an…

Factors Affecting Teachers' Adoption of Educational Computer Games: A Case Study

ERIC Educational Resources Information Center

Kebritchi, Mansureh

2010-01-01

Even though computer games hold considerable potential for engaging and facilitating learning among today's children, the adoption of modern educational computer games is still meeting significant resistance in K-12 education. The purpose of this paper is to inform educators and instructional designers on factors affecting teachers' adoption of…

Let Me Share a Secret with You! Teaching with Computers.

ERIC Educational Resources Information Center

de Vasconcelos, Maria

The author describes her experiences teaching a computer-enhanced Modern Poetry course. The author argues that using computers enhances the concept of the classroom as learning community. It was the author's experience that students' postings on the discussion board created an atmosphere that encouraged student involvement, as opposed to the…

The State of the Art in Information Handling. Operation PEP/Executive Information Systems.

ERIC Educational Resources Information Center

Summers, J. K.; Sullivan, J. E.

This document explains recent developments in computer science and information systems of interest to the educational manager. A brief history of computers is included, together with an examination of modern computers' capabilities. Various features of card, tape, and disk information storage systems are presented. The importance of time-sharing…

Computer-Mediated Communication as an Autonomy-Enhancement Tool for Advanced Learners of English

ERIC Educational Resources Information Center

Wach, Aleksandra

2012-01-01

This article examines the relevance of modern technology for the development of learner autonomy in the process of learning English as a foreign language. Computer-assisted language learning and computer-mediated communication (CMC) appear to be particularly conducive to fostering autonomous learning, as they naturally incorporate many elements of…

Redesigning the Quantum Mechanics Curriculum to Incorporate Problem Solving Using a Computer Algebra System

NASA Astrophysics Data System (ADS)

Roussel, Marc R.

1999-10-01

One of the traditional obstacles to learning quantum mechanics is the relatively high level of mathematical proficiency required to solve even routine problems. Modern computer algebra systems are now sufficiently reliable that they can be used as mathematical assistants to alleviate this difficulty. In the quantum mechanics course at the University of Lethbridge, the traditional three lecture hours per week have been replaced by two lecture hours and a one-hour computer-aided problem solving session using a computer algebra system (Maple). While this somewhat reduces the number of topics that can be tackled during the term, students have a better opportunity to familiarize themselves with the underlying theory with this course design. Maple is also available to students during examinations. The use of a computer algebra system expands the class of feasible problems during a time-limited exercise such as a midterm or final examination. A modern computer algebra system is a complex piece of software, so some time needs to be devoted to teaching the students its proper use. However, the advantages to the teaching of quantum mechanics appear to outweigh the disadvantages.

A view of Kanerva's sparse distributed memory

NASA Technical Reports Server (NTRS)

Denning, P. J.

1986-01-01

Pentti Kanerva is working on a new class of computers, which are called pattern computers. Pattern computers may close the gap between capabilities of biological organisms to recognize and act on patterns (visual, auditory, tactile, or olfactory) and capabilities of modern computers. Combinations of numeric, symbolic, and pattern computers may one day be capable of sustaining robots. The overview of the requirements for a pattern computer, a summary of Kanerva's Sparse Distributed Memory (SDM), and examples of tasks this computer can be expected to perform well are given.

Virtual reality computer simulation.

PubMed

Grantcharov, T P; Rosenberg, J; Pahle, E; Funch-Jensen, P

2001-03-01

Objective assessment of psychomotor skills should be an essential component of a modern surgical training program. There are computer systems that can be used for this purpose, but their wide application is not yet generally accepted. The aim of this study was to validate the role of virtual reality computer simulation as a method for evaluating surgical laparoscopic skills. The study included 14 surgical residents. On day 1, they performed two runs of all six tasks on the Minimally Invasive Surgical Trainer, Virtual Reality (MIST VR). On day 2, they performed a laparoscopic cholecystectomy on living pigs; afterward, they were tested again on the MIST VR. A group of experienced surgeons evaluated the trainees' performance on the animal operation, giving scores for total performance error and economy of motion. During the tasks on the MIST VR, errors and noneconomy of movements for the left and right hand were also recorded. There were significant correlations between error scores in vivo and three of the six in vitro tasks (p < 0.05). In vivo economy scores correlated significantly with non-economy right-hand scores for five of the six tasks and with non-economy left-hand scores for one of the six tasks (p < 0.05). In this study, laparoscopic performance in the animal model correlated significantly with performance on the computer simulator. Thus, the computer model seems to be a promising objective method for the assessment of laparoscopic psychomotor skills.

Algebraic multigrid domain and range decomposition (AMG-DD / AMG-RD)*

DOE PAGES

Bank, R.; Falgout, R. D.; Jones, T.; ...

2015-10-29

In modern large-scale supercomputing applications, algebraic multigrid (AMG) is a leading choice for solving matrix equations. However, the high cost of communication relative to that of computation is a concern for the scalability of traditional implementations of AMG on emerging architectures. This paper introduces two new algebraic multilevel algorithms, algebraic multigrid domain decomposition (AMG-DD) and algebraic multigrid range decomposition (AMG-RD), that replace traditional AMG V-cycles with a fully overlapping domain decomposition approach. While the methods introduced here are similar in spirit to the geometric methods developed by Brandt and Diskin [Multigrid solvers on decomposed domains, in Domain Decomposition Methods inmore » Science and Engineering, Contemp. Math. 157, AMS, Providence, RI, 1994, pp. 135--155], Mitchell [Electron. Trans. Numer. Anal., 6 (1997), pp. 224--233], and Bank and Holst [SIAM J. Sci. Comput., 22 (2000), pp. 1411--1443], they differ primarily in that they are purely algebraic: AMG-RD and AMG-DD trade communication for computation by forming global composite “grids” based only on the matrix, not the geometry. (As is the usual AMG convention, “grids” here should be taken only in the algebraic sense, regardless of whether or not it corresponds to any geometry.) Another important distinguishing feature of AMG-RD and AMG-DD is their novel residual communication process that enables effective parallel computation on composite grids, avoiding the all-to-all communication costs of the geometric methods. The main purpose of this paper is to study the potential of these two algebraic methods as possible alternatives to existing AMG approaches for future parallel machines. As a result, this paper develops some theoretical properties of these methods and reports on serial numerical tests of their convergence properties over a spectrum of problem parameters.« less

Methods for transition toward computer assisted cognitive examination.

PubMed

Jurica, P; Valenzi, S; Struzik, Z R; Cichocki, A

2015-01-01

We present a software framework which enables the extension of current methods for the assessment of cognitive fitness using recent technological advances. Screening for cognitive impairment is becoming more important as the world's population grows older. Current methods could be enhanced by use of computers. Introduction of new methods to clinics requires basic tools for collection and communication of collected data. To develop tools that, with minimal interference, offer new opportunities for the enhancement of the current interview based cognitive examinations. We suggest methods and discuss process by which established cognitive tests can be adapted for data collection through digitization by pen enabled tablets. We discuss a number of methods for evaluation of collected data, which promise to increase the resolution and objectivity of the common scoring strategy based on visual inspection. By involving computers in the roles of both instructing and scoring, we aim to increase the precision and reproducibility of cognitive examination. The tools provided in Python framework CogExTools available at http://bsp. brain.riken.jp/cogextools/ enable the design, application and evaluation of screening tests for assessment of cognitive impairment. The toolbox is a research platform; it represents a foundation for further collaborative development by the wider research community and enthusiasts. It is free to download and use, and open-source. We introduce a set of open-source tools that facilitate the design and development of new cognitive tests for modern technology. We provide these tools in order to enable the adaptation of technology for cognitive examination in clinical settings. The tools provide the first step in a possible transition toward standardized mental state examination using computers.

Development of concepts on the interaction of drugs with opioid receptors

NASA Astrophysics Data System (ADS)

Kuzmina, N. E.; Kuzmin, V. S.

2011-02-01

The development of concepts on the molecular mechanisms of the action of medicinal drugs on the opioid receptors is briefly surveyed. The modern point of view on the mechanism of activation of opioid receptors is given based on the data from chimeric and site-directed mutagenesis of the cloned opioid receptors and the computer-aided simulations of the reception zone and ligand-receptor complexes. Three-dimensional models of the opioid pharmacophore derived by both conventional methods and a comparative analysis of molecular fields are described in detail.

Bayesian Inference in the Modern Design of Experiments

NASA Technical Reports Server (NTRS)

DeLoach, Richard

2008-01-01

This paper provides an elementary tutorial overview of Bayesian inference and its potential for application in aerospace experimentation in general and wind tunnel testing in particular. Bayes Theorem is reviewed and examples are provided to illustrate how it can be applied to objectively revise prior knowledge by incorporating insights subsequently obtained from additional observations, resulting in new (posterior) knowledge that combines information from both sources. A logical merger of Bayesian methods and certain aspects of Response Surface Modeling is explored. Specific applications to wind tunnel testing, computational code validation, and instrumentation calibration are discussed.

Recent advances in hypersonic technology

NASA Technical Reports Server (NTRS)

Dwoyer, Douglas L.

1990-01-01

This paper will focus on recent advances in hypersonic aerodynamic prediction techniques. Current capabilities of existing numerical methods for predicting high Mach number flows will be discussed and shortcomings will be identified. Physical models available for inclusion into modern codes for predicting the effects of transition and turbulence will also be outlined and their limitations identified. Chemical reaction models appropriate to high-speed flows will be addressed, and the impact of their inclusion in computational fluid dynamics codes will be discussed. Finally, the problem of validating predictive techniques for high Mach number flows will be addressed.

Supernovae at the cosmic dawn

NASA Astrophysics Data System (ADS)

Chen, Ke-Jung

2014-03-01

Modern cosmological simulations predict that the first generation of stars formed with a mass scale around 100 M⊙ about 300-400 million years after the Big Bang. When the first stars reached the end of their lives, many of them might have died as energetic supernovae (SNe) that could have significantly affected the early Universe via injecting large amounts of energy and metals into the primordial intergalactic medium. In this paper, we review the current models of the first SNe by discussing on the relevant background physics, computational methods and the latest results.

Electron tubes for industrial applications

NASA Astrophysics Data System (ADS)

Gellert, Bernd

1994-05-01

This report reviews research and development efforts within the last years for vacuum electron tubes, in particular power grid tubes for industrial applications. Physical and chemical effects are discussed that determine the performance of todays devices. Due to the progress made in the fundamental understanding of materials and newly developed processes the reliability and reproducibility of power grid tubes could be improved considerably. Modern computer controlled manufacturing methods ensure a high reproducibility of production and continuous quality certification according to ISO 9001 guarantees future high quality standards. Some typical applications of these tubes are given as an example.

Methods of mathematical modeling using polynomials of algebra of sets

NASA Astrophysics Data System (ADS)

Kazanskiy, Alexandr; Kochetkov, Ivan

2018-03-01

The article deals with the construction of discrete mathematical models for solving applied problems arising from the operation of building structures. Security issues in modern high-rise buildings are extremely serious and relevant, and there is no doubt that interest in them will only increase. The territory of the building is divided into zones for which it is necessary to observe. Zones can overlap and have different priorities. Such situations can be described using formulas algebra of sets. Formulas can be programmed, which makes it possible to work with them using computer models.

Technology and the Modern Library.

ERIC Educational Resources Information Center

Boss, Richard W.

1984-01-01

Overview of the impact of information technology on libraries highlights turnkey vendors, bibliographic utilities, commercial suppliers of records, state and regional networks, computer-to-computer linkages, remote database searching, terminals and microcomputers, building local databases, delivery of information, digital telefacsimile,…

Parallel and Portable Monte Carlo Particle Transport

NASA Astrophysics Data System (ADS)

Lee, S. R.; Cummings, J. C.; Nolen, S. D.; Keen, N. D.

1997-08-01

We have developed a multi-group, Monte Carlo neutron transport code in C++ using object-oriented methods and the Parallel Object-Oriented Methods and Applications (POOMA) class library. This transport code, called MC++, currently computes k and α eigenvalues of the neutron transport equation on a rectilinear computational mesh. It is portable to and runs in parallel on a wide variety of platforms, including MPPs, clustered SMPs, and individual workstations. It contains appropriate classes and abstractions for particle transport and, through the use of POOMA, for portable parallelism. Current capabilities are discussed, along with physics and performance results for several test problems on a variety of hardware, including all three Accelerated Strategic Computing Initiative (ASCI) platforms. Current parallel performance indicates the ability to compute α-eigenvalues in seconds or minutes rather than days or weeks. Current and future work on the implementation of a general transport physics framework (TPF) is also described. This TPF employs modern C++ programming techniques to provide simplified user interfaces, generic STL-style programming, and compile-time performance optimization. Physics capabilities of the TPF will be extended to include continuous energy treatments, implicit Monte Carlo algorithms, and a variety of convergence acceleration techniques such as importance combing.

Axial-Flow Turbine Rotor Discharge-Flow Overexpansion and Limit-Loading Condition, Part I: Computational Fluid Dynamics (CFD) Investigation

NASA Technical Reports Server (NTRS)

Chen, Shu-Cheng S.

2017-01-01

A Computational Fluid Dynamic (CFD) investigation is conducted over a two-dimensional axial-flow turbine rotor blade row to study the phenomena of turbine rotor discharge flow overexpansion at subcritical, critical, and supercritical conditions. Quantitative data of the mean-flow Mach numbers, mean-flow angles, the tangential blade pressure forces, the mean-flow mass flux, and the flow-path total pressure loss coefficients, averaged or integrated across the two-dimensional computational domain encompassing two blade-passages, are obtained over a series of 14 inlet-total to exit-static pressure ratios, from 1.5 (un-choked; subcritical condition) to 10.0 (supercritical with excessively high pressure ratio.) Detailed flow features over the full domain-of-computation, such as the streamline patterns, Mach contours, pressure contours, blade surface pressure distributions, etc. are collected and displayed in this paper. A formal, quantitative definition of the limit loading condition based on the channel flow theory is proposed and explained. Contrary to the comments made in the historical works performed on this subject, about the deficiency of the theoretical methods applied in analyzing this phenomena, using modern CFD method for the study of this subject appears to be quite adequate and successful. This paper describes the CFD work and its findings.

Fractional Steps methods for transient problems on commodity computer architectures

NASA Astrophysics Data System (ADS)

Krotkiewski, M.; Dabrowski, M.; Podladchikov, Y. Y.

2008-12-01

Fractional Steps methods are suitable for modeling transient processes that are central to many geological applications. Low memory requirements and modest computational complexity facilitates calculations on high-resolution three-dimensional models. An efficient implementation of Alternating Direction Implicit/Locally One-Dimensional schemes for an Opteron-based shared memory system is presented. The memory bandwidth usage, the main bottleneck on modern computer architectures, is specially addressed. High efficiency of above 2 GFlops per CPU is sustained for problems of 1 billion degrees of freedom. The optimized sequential implementation of all 1D sweeps is comparable in execution time to copying the used data in the memory. Scalability of the parallel implementation on up to 8 CPUs is close to perfect. Performing one timestep of the Locally One-Dimensional scheme on a system of 1000 3 unknowns on 8 CPUs takes only 11 s. We validate the LOD scheme using a computational model of an isolated inclusion subject to a constant far field flux. Next, we study numerically the evolution of a diffusion front and the effective thermal conductivity of composites consisting of multiple inclusions and compare the results with predictions based on the differential effective medium approach. Finally, application of the developed parabolic solver is suggested for a real-world problem of fluid transport and reactions inside a reservoir.

Functional brain imaging and bioacoustics in the Bottlenose dolphins, Tursiops truncatus

NASA Astrophysics Data System (ADS)

Ridgway, Sam; Finneran, James; Carder, Donald; van Bonn, William; Smith, Cynthia; Houser, Dorian; Mattrey, Robert; Hoh, Carl

2003-10-01

The dolphin brain is the central processing computer for a complex and effective underwater echolocation and communication system. Until now, it has not been possible to study or diagnose disorders of the dolphin brain employing modern functional imaging methods like those used in human medicine. Our most recent studies employ established methods such as behavioral tasks, physiological observations, and computed tomography (CT) and, for the first time, single photon emission computed tomography (SPECT), and positron emission tomography (PET). Trained dolphins slide out of their enclosure on to a mat and are transported by trainers and veterinarians to the laboratory for injection of a ligand. Following ligand injection, brief experiments include trained vocal responses to acoustic, visual, or tactile stimuli. We have used the ligand technetium (Tc-99m) biscisate (Neurolite) to image circulatory flow by SPECT. Fluro-deoxy-d-glucose (18-F-FDG) has been employed to image brain metabolism with PET. Veterinarians carefully monitored dolphins during and after the procedure. Through these methods, we have demonstrated that functional imaging can be employed safely and productively with dolphins to obtain valuable information on brain structure and function for medical and research purposes. Hemispheric differences and variations in flow and metabolism in different brain areas will be shown.

New solutions and applications of 3D computer tomography image processing

NASA Astrophysics Data System (ADS)

Effenberger, Ira; Kroll, Julia; Verl, Alexander

2008-02-01

As nowadays the industry aims at fast and high quality product development and manufacturing processes a modern and efficient quality inspection is essential. Compared to conventional measurement technologies, industrial computer tomography (CT) is a non-destructive technology for 3D-image data acquisition which helps to overcome their disadvantages by offering the possibility to scan complex parts with all outer and inner geometric features. In this paper new and optimized methods for 3D image processing, including innovative ways of surface reconstruction and automatic geometric feature detection of complex components, are presented, especially our work of developing smart online data processing and data handling methods, with an integrated intelligent online mesh reduction. Hereby the processing of huge and high resolution data sets is guaranteed. Besides, new approaches for surface reconstruction and segmentation based on statistical methods are demonstrated. On the extracted 3D point cloud or surface triangulation automated and precise algorithms for geometric inspection are deployed. All algorithms are applied to different real data sets generated by computer tomography in order to demonstrate the capabilities of the new tools. Since CT is an emerging technology for non-destructive testing and inspection more and more industrial application fields will use and profit from this new technology.

Mathematical biology modules based on modern molecular biology and modern discrete mathematics.

PubMed

Robeva, Raina; Davies, Robin; Hodge, Terrell; Enyedi, Alexander

2010-01-01

We describe an ongoing collaborative curriculum materials development project between Sweet Briar College and Western Michigan University, with support from the National Science Foundation. We present a collection of modules under development that can be used in existing mathematics and biology courses, and we address a critical national need to introduce students to mathematical methods beyond the interface of biology with calculus. Based on ongoing research, and designed to use the project-based-learning approach, the modules highlight applications of modern discrete mathematics and algebraic statistics to pressing problems in molecular biology. For the majority of projects, calculus is not a required prerequisite and, due to the modest amount of mathematical background needed for some of the modules, the materials can be used for an early introduction to mathematical modeling. At the same time, most modules are connected with topics in linear and abstract algebra, algebraic geometry, and probability, and they can be used as meaningful applied introductions into the relevant advanced-level mathematics courses. Open-source software is used to facilitate the relevant computations. As a detailed example, we outline a module that focuses on Boolean models of the lac operon network.

Mathematical Biology Modules Based on Modern Molecular Biology and Modern Discrete Mathematics

PubMed Central

Davies, Robin; Hodge, Terrell; Enyedi, Alexander

2010-01-01

We describe an ongoing collaborative curriculum materials development project between Sweet Briar College and Western Michigan University, with support from the National Science Foundation. We present a collection of modules under development that can be used in existing mathematics and biology courses, and we address a critical national need to introduce students to mathematical methods beyond the interface of biology with calculus. Based on ongoing research, and designed to use the project-based-learning approach, the modules highlight applications of modern discrete mathematics and algebraic statistics to pressing problems in molecular biology. For the majority of projects, calculus is not a required prerequisite and, due to the modest amount of mathematical background needed for some of the modules, the materials can be used for an early introduction to mathematical modeling. At the same time, most modules are connected with topics in linear and abstract algebra, algebraic geometry, and probability, and they can be used as meaningful applied introductions into the relevant advanced-level mathematics courses. Open-source software is used to facilitate the relevant computations. As a detailed example, we outline a module that focuses on Boolean models of the lac operon network. PMID:20810955

Flight test results for the Digital Integrated Automatic Landing Systems (DIALS): A modern control full-state feedback design

NASA Technical Reports Server (NTRS)

Hueschen, R. M.

1984-01-01

The Digital Integrated Automatic Landing System (DIALS) is discussed. The DIALS is a modern control theory design performing all the maneuver modes associated with current autoland systems: localizer capture and track, glideslope capture and track, decrab, and flare. The DIALS is an integrated full-state feedback system which was designed using direct-digital methods. The DIALS uses standard aircraft sensors and the digital Microwave Landing System (MLS) signals as measurements. It consists of separately designed longitudinal and lateral channels although some cross-coupling variables are fed between channels for improved state estimates and trajectory commands. The DIALS was implemented within the 16-bit fixed-point flight computers of the ATOPS research aircraft, a small twin jet commercial transport outfitted with a second research cockpit and a fly-by-wire system. The DIALS became the first modern control theory design to be successfully flight tested on a commercial-type aircraft. Flight tests were conducted in late 1981 using a wide coverage MLS on Runway 22 at Wallops Flight Center. All the modes were exercised including the capture and track of steep glidescopes up to 5 degrees.

The Structure and Properties of Silica Glass Nanostructures using Novel Computational Systems

NASA Astrophysics Data System (ADS)

Doblack, Benjamin N.

The structure and properties of silica glass nanostructures are examined using computational methods in this work. Standard synthesis methods of silica and its associated material properties are first discussed in brief. A review of prior experiments on this amorphous material is also presented. Background and methodology for the simulation of mechanical tests on amorphous bulk silica and nanostructures are later presented. A new computational system for the accurate and fast simulation of silica glass is also presented, using an appropriate interatomic potential for this material within the open-source molecular dynamics computer program LAMMPS. This alternative computational method uses modern graphics processors, Nvidia CUDA technology and specialized scientific codes to overcome processing speed barriers common to traditional computing methods. In conjunction with a virtual reality system used to model select materials, this enhancement allows the addition of accelerated molecular dynamics simulation capability. The motivation is to provide a novel research environment which simultaneously allows visualization, simulation, modeling and analysis. The research goal of this project is to investigate the structure and size dependent mechanical properties of silica glass nanohelical structures under tensile MD conditions using the innovative computational system. Specifically, silica nanoribbons and nanosprings are evaluated which revealed unique size dependent elastic moduli when compared to the bulk material. For the nanoribbons, the tensile behavior differed widely between the models simulated, with distinct characteristic extended elastic regions. In the case of the nanosprings simulated, more clear trends are observed. In particular, larger nanospring wire cross-sectional radii (r) lead to larger Young's moduli, while larger helical diameters (2R) resulted in smaller Young's moduli. Structural transformations and theoretical models are also analyzed to identify possible factors which might affect the mechanical response of silica nanostructures under tension. The work presented outlines an innovative simulation methodology, and discusses how results can be validated against prior experimental and simulation findings. The ultimate goal is to develop new computational methods for the study of nanostructures which will make the field of materials science more accessible, cost effective and efficient.

Application of enhanced modern structured analysis techniques to Space Station Freedom electric power system requirements

NASA Technical Reports Server (NTRS)

Biernacki, John; Juhasz, John; Sadler, Gerald

1991-01-01

A team of Space Station Freedom (SSF) system engineers are in the process of extensive analysis of the SSF requirements, particularly those pertaining to the electrical power system (EPS). The objective of this analysis is the development of a comprehensive, computer-based requirements model, using an enhanced modern structured analysis methodology (EMSA). Such a model provides a detailed and consistent representation of the system's requirements. The process outlined in the EMSA methodology is unique in that it allows the graphical modeling of real-time system state transitions, as well as functional requirements and data relationships, to be implemented using modern computer-based tools. These tools permit flexible updating and continuous maintenance of the models. Initial findings resulting from the application of EMSA to the EPS have benefited the space station program by linking requirements to design, providing traceability of requirements, identifying discrepancies, and fostering an understanding of the EPS.

Computed tomographic evidence of atherosclerosis in the mummified remains of humans from around the world.

PubMed

Thompson, Randall C; Allam, Adel H; Zink, Albert; Wann, L Samuel; Lombardi, Guido P; Cox, Samantha L; Frohlich, Bruno; Sutherland, M Linda; Sutherland, James D; Frohlich, Thomas C; King, Samantha I; Miyamoto, Michael I; Monge, Janet M; Valladolid, Clide M; El-Halim Nur El-Din, Abd; Narula, Jagat; Thompson, Adam M; Finch, Caleb E; Thomas, Gregory S

2014-06-01

Although atherosclerosis is widely thought to be a disease of modernity, computed tomographic evidence of atherosclerosis has been found in the bodies of a large number of mummies. This article reviews the findings of atherosclerotic calcifications in the remains of ancient people-humans who lived across a very wide span of human history and over most of the inhabited globe. These people had a wide range of diets and lifestyles and traditional modern risk factors do not thoroughly explain the presence and easy detectability of this disease. Nontraditional risk factors such as the inhalation of cooking fire smoke and chronic infection or inflammation might have been important atherogenic factors in ancient times. Study of the genetic and environmental risk factors for atherosclerosis in ancient people may offer insights into this common modern disease. Copyright © 2014 World Heart Federation (Geneva). Published by Elsevier B.V. All rights reserved.

Experimental Evidence on the Effects of Home Computers on Academic Achievement among Schoolchildren. National Poverty Center Working Paper Series #13-02

ERIC Educational Resources Information Center

Fairlie, Robert W.; Robinson, Jonathan

2013-01-01

Computers are an important part of modern education, yet large segments of the population--especially low-income and minority children--lack access to a computer at home. Does this impede educational achievement? We test this hypothesis by conducting the largest-ever field experiment involving the random provision of free computers for home use to…

A Computer Model for Red Blood Cell Chemistry

DTIC Science & Technology

1996-10-01

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

Explicit integration with GPU acceleration for large kinetic networks

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

Brock, Benjamin; Computer Science and Mathematics Division, Oak Ridge National Laboratory, Oak Ridge, TN 37830; Belt, Andrew

2015-12-01

We demonstrate the first implementation of recently-developed fast explicit kinetic integration algorithms on modern graphics processing unit (GPU) accelerators. Taking as a generic test case a Type Ia supernova explosion with an extremely stiff thermonuclear network having 150 isotopic species and 1604 reactions coupled to hydrodynamics using operator splitting, we demonstrate the capability to solve of order 100 realistic kinetic networks in parallel in the same time that standard implicit methods can solve a single such network on a CPU. This orders-of-magnitude decrease in computation time for solving systems of realistic kinetic networks implies that important coupled, multiphysics problems inmore » various scientific and technical fields that were intractable, or could be simulated only with highly schematic kinetic networks, are now computationally feasible.« less

Atomic-scale Modeling of the Structure and Dynamics of Dislocations in Complex Alloys at High Temperatures

NASA Technical Reports Server (NTRS)

Daw, Murray S.; Mills, Michael J.

2003-01-01

We report on the progress made during the first year of the project. Most of the progress at this point has been on the theoretical and computational side. Here are the highlights: (1) A new code, tailored for high-end desktop computing, now combines modern Accelerated Dynamics (AD) with the well-tested Embedded Atom Method (EAM); (2) The new Accelerated Dynamics allows the study of relatively slow, thermally-activated processes, such as diffusion, which are much too slow for traditional Molecular Dynamics; (3) We have benchmarked the new AD code on a rather simple and well-known process: vacancy diffusion in copper; and (4) We have begun application of the AD code to the diffusion of vacancies in ordered intermetallics.

Recent advances in imaging technologies in dentistry.

PubMed

Shah, Naseem; Bansal, Nikhil; Logani, Ajay

2014-10-28

Dentistry has witnessed tremendous advances in all its branches over the past three decades. With these advances, the need for more precise diagnostic tools, specially imaging methods, have become mandatory. From the simple intra-oral periapical X-rays, advanced imaging techniques like computed tomography, cone beam computed tomography, magnetic resonance imaging and ultrasound have also found place in modern dentistry. Changing from analogue to digital radiography has not only made the process simpler and faster but also made image storage, manipulation (brightness/contrast, image cropping, etc.) and retrieval easier. The three-dimensional imaging has made the complex cranio-facial structures more accessible for examination and early and accurate diagnosis of deep seated lesions. This paper is to review current advances in imaging technology and their uses in different disciplines of dentistry.

Recent advances in imaging technologies in dentistry

PubMed Central

Shah, Naseem; Bansal, Nikhil; Logani, Ajay

2014-01-01

Dentistry has witnessed tremendous advances in all its branches over the past three decades. With these advances, the need for more precise diagnostic tools, specially imaging methods, have become mandatory. From the simple intra-oral periapical X-rays, advanced imaging techniques like computed tomography, cone beam computed tomography, magnetic resonance imaging and ultrasound have also found place in modern dentistry. Changing from analogue to digital radiography has not only made the process simpler and faster but also made image storage, manipulation (brightness/contrast, image cropping, etc.) and retrieval easier. The three-dimensional imaging has made the complex cranio-facial structures more accessible for examination and early and accurate diagnosis of deep seated lesions. This paper is to review current advances in imaging technology and their uses in different disciplines of dentistry. PMID:25349663

Image segmentation evaluation for very-large datasets

NASA Astrophysics Data System (ADS)

Reeves, Anthony P.; Liu, Shuang; Xie, Yiting

2016-03-01

With the advent of modern machine learning methods and fully automated image analysis there is a need for very large image datasets having documented segmentations for both computer algorithm training and evaluation. Current approaches of visual inspection and manual markings do not scale well to big data. We present a new approach that depends on fully automated algorithm outcomes for segmentation documentation, requires no manual marking, and provides quantitative evaluation for computer algorithms. The documentation of new image segmentations and new algorithm outcomes are achieved by visual inspection. The burden of visual inspection on large datasets is minimized by (a) customized visualizations for rapid review and (b) reducing the number of cases to be reviewed through analysis of quantitative segmentation evaluation. This method has been applied to a dataset of 7,440 whole-lung CT images for 6 different segmentation algorithms designed to fully automatically facilitate the measurement of a number of very important quantitative image biomarkers. The results indicate that we could achieve 93% to 99% successful segmentation for these algorithms on this relatively large image database. The presented evaluation method may be scaled to much larger image databases.

Computer image analysis in caryopses quality evaluation as exemplified by malting barley

NASA Astrophysics Data System (ADS)

Koszela, K.; Raba, B.; Zaborowicz, M.; Przybył, K.; Wojcieszak, D.; Czekała, W.; Ludwiczak, A.; Przybylak, A.; Boniecki, P.; Przybył, J.

2015-07-01

One of the purposes to employ modern technologies in agricultural and food industry is to increase the efficiency and automation of production processes, which helps improve productive effectiveness of business enterprises, thus making them more competitive. Nowadays, a challenge presents itself for this branch of economy, to produce agricultural and food products characterized by the best parameters in terms of quality, while maintaining optimum production and distribution costs of the processed biological material. Thus, several scientific centers seek to devise new and improved methods and technologies in this field, which will allow to meet the expectations. A new solution, under constant development, is to employ the so-called machine vision which is to replace human work in both quality and quantity evaluation processes. An indisputable advantage of employing the method is keeping the evaluation unbiased while improving its rate and, what is important, eliminating the fatigue factor of the expert. This paper elaborates on the topic of quality evaluation by marking the contamination in malting barley grains using computer image analysis and selected methods of artificial intelligence [4-5].

How do particle physicists learn the programming concepts they need?

NASA Astrophysics Data System (ADS)

Kluth, S.; Pia, M. G.; Schoerner-Sadenius, T.; Steinbach, P.

2015-12-01

The ability to read, use and develop code efficiently and successfully is a key ingredient in modern particle physics. We report the experience of a training program, identified as “Advanced Programming Concepts”, that introduces software concepts, methods and techniques to work effectively on a daily basis in a HEP experiment or other programming intensive fields. This paper illustrates the principles, motivations and methods that shape the “Advanced Computing Concepts” training program, the knowledge base that it conveys, an analysis of the feedback received so far, and the integration of these concepts in the software development process of the experiments as well as its applicability to a wider audience.

Fast Acceleration of 2D Wave Propagation Simulations Using Modern Computational Accelerators

PubMed Central

Wang, Wei; Xu, Lifan; Cavazos, John; Huang, Howie H.; Kay, Matthew

2014-01-01

Recent developments in modern computational accelerators like Graphics Processing Units (GPUs) and coprocessors provide great opportunities for making scientific applications run faster than ever before. However, efficient parallelization of scientific code using new programming tools like CUDA requires a high level of expertise that is not available to many scientists. This, plus the fact that parallelized code is usually not portable to different architectures, creates major challenges for exploiting the full capabilities of modern computational accelerators. In this work, we sought to overcome these challenges by studying how to achieve both automated parallelization using OpenACC and enhanced portability using OpenCL. We applied our parallelization schemes using GPUs as well as Intel Many Integrated Core (MIC) coprocessor to reduce the run time of wave propagation simulations. We used a well-established 2D cardiac action potential model as a specific case-study. To the best of our knowledge, we are the first to study auto-parallelization of 2D cardiac wave propagation simulations using OpenACC. Our results identify several approaches that provide substantial speedups. The OpenACC-generated GPU code achieved more than speedup above the sequential implementation and required the addition of only a few OpenACC pragmas to the code. An OpenCL implementation provided speedups on GPUs of at least faster than the sequential implementation and faster than a parallelized OpenMP implementation. An implementation of OpenMP on Intel MIC coprocessor provided speedups of with only a few code changes to the sequential implementation. We highlight that OpenACC provides an automatic, efficient, and portable approach to achieve parallelization of 2D cardiac wave simulations on GPUs. Our approach of using OpenACC, OpenCL, and OpenMP to parallelize this particular model on modern computational accelerators should be applicable to other computational models of wave propagation in multi-dimensional media. PMID:24497950

The efficiency of geophysical adjoint codes generated by automatic differentiation tools

NASA Astrophysics Data System (ADS)

Vlasenko, A. V.; Köhl, A.; Stammer, D.

2016-02-01

The accuracy of numerical models that describe complex physical or chemical processes depends on the choice of model parameters. Estimating an optimal set of parameters by optimization algorithms requires knowledge of the sensitivity of the process of interest to model parameters. Typically the sensitivity computation involves differentiation of the model, which can be performed by applying algorithmic differentiation (AD) tools to the underlying numerical code. However, existing AD tools differ substantially in design, legibility and computational efficiency. In this study we show that, for geophysical data assimilation problems of varying complexity, the performance of adjoint codes generated by the existing AD tools (i) Open_AD, (ii) Tapenade, (iii) NAGWare and (iv) Transformation of Algorithms in Fortran (TAF) can be vastly different. Based on simple test problems, we evaluate the efficiency of each AD tool with respect to computational speed, accuracy of the adjoint, the efficiency of memory usage, and the capability of each AD tool to handle modern FORTRAN 90-95 elements such as structures and pointers, which are new elements that either combine groups of variables or provide aliases to memory addresses, respectively. We show that, while operator overloading tools are the only ones suitable for modern codes written in object-oriented programming languages, their computational efficiency lags behind source transformation by orders of magnitude, rendering the application of these modern tools to practical assimilation problems prohibitive. In contrast, the application of source transformation tools appears to be the most efficient choice, allowing handling even large geophysical data assimilation problems. However, they can only be applied to numerical models written in earlier generations of programming languages. Our study indicates that applying existing AD tools to realistic geophysical problems faces limitations that urgently need to be solved to allow the continuous use of AD tools for solving geophysical problems on modern computer architectures.

Time to get rid of the 'Modular' in neuropsychology: a unified theory of anosognosia as aberrant predictive coding.

PubMed

Fotopoulou, Aikaterini

2014-03-01

Cognitive neuroscience, being more inclusive and ambitious in scope than cognitive neuropsychology, seems to have taken the place of the latter within the modern neurosciences. Nevertheless, recent advances in the neurosciences afford neuropsychology with epistemic possibilities that simply did not exist even 15 years ago. Human lesion studies still have an important role to play in shaping such possibilities, particularly when combined with other methods of enquiry. I first outline theoretical and methodological advances within the neurosciences that can inform and shape the rebirth of a dynamic, non-modular neuropsychology. I then use an influential computational theory of brain function, the free energy principle, to suggest an unified account of anosognosia for hemiplegia as a research example of the potential for transition from a modular, cognitive neuropsychology to a dynamic, computational and even restorative neuropsychology. These and many other adjectives that can flexibly, take the place of 'cognitive' next to 'neuropsychology' will hopefully designate the much needed rebirth and demarcation of a field, neuropsychology itself, that has somehow lost its place within the modern neurosciences and yet seems to have a unique and important role to play in the future understanding of the brain. © 2013 The British Psychological Society.

Sparse QSAR modelling methods for therapeutic and regenerative medicine

NASA Astrophysics Data System (ADS)

Winkler, David A.

2018-02-01

The quantitative structure-activity relationships method was popularized by Hansch and Fujita over 50 years ago. The usefulness of the method for drug design and development has been shown in the intervening years. As it was developed initially to elucidate which molecular properties modulated the relative potency of putative agrochemicals, and at a time when computing resources were scarce, there is much scope for applying modern mathematical methods to improve the QSAR method and to extending the general concept to the discovery and optimization of bioactive molecules and materials more broadly. I describe research over the past two decades where we have rebuilt the unit operations of the QSAR method using improved mathematical techniques, and have applied this valuable platform technology to new important areas of research and industry such as nanoscience, omics technologies, advanced materials, and regenerative medicine. This paper was presented as the 2017 ACS Herman Skolnik lecture.

ExpoCast: Exposure Science for Prioritization and Toxicity Testing (T)

EPA Science Inventory

The US EPA National Center for Computational Toxicology (NCCT) has a mission to integrate modern computing and information technology with molecular biology to improve Agency prioritization of data requirements and risk assessment of chemicals. Recognizing the critical need for ...

Parallel Computational Protein Design.

PubMed

Zhou, Yichao; Donald, Bruce R; Zeng, Jianyang

2017-01-01

Computational structure-based protein design (CSPD) is an important problem in computational biology, which aims to design or improve a prescribed protein function based on a protein structure template. It provides a practical tool for real-world protein engineering applications. A popular CSPD method that guarantees to find the global minimum energy solution (GMEC) is to combine both dead-end elimination (DEE) and A* tree search algorithms. However, in this framework, the A* search algorithm can run in exponential time in the worst case, which may become the computation bottleneck of large-scale computational protein design process. To address this issue, we extend and add a new module to the OSPREY program that was previously developed in the Donald lab (Gainza et al., Methods Enzymol 523:87, 2013) to implement a GPU-based massively parallel A* algorithm for improving protein design pipeline. By exploiting the modern GPU computational framework and optimizing the computation of the heuristic function for A* search, our new program, called gOSPREY, can provide up to four orders of magnitude speedups in large protein design cases with a small memory overhead comparing to the traditional A* search algorithm implementation, while still guaranteeing the optimality. In addition, gOSPREY can be configured to run in a bounded-memory mode to tackle the problems in which the conformation space is too large and the global optimal solution cannot be computed previously. Furthermore, the GPU-based A* algorithm implemented in the gOSPREY program can be combined with the state-of-the-art rotamer pruning algorithms such as iMinDEE (Gainza et al., PLoS Comput Biol 8:e1002335, 2012) and DEEPer (Hallen et al., Proteins 81:18-39, 2013) to also consider continuous backbone and side-chain flexibility.

[Use of modern contraceptive methods in the Democratic Republic of the Congo: prevalence and barriers in the health zone of Dibindi, Mbuji-Mayi].

PubMed

Ntambue, Abel Mukengeshayi; Tshiala, Rachel Ngalula; Malonga, Françoise Kaj; Ilunga, Tabitha Mpoyi; Kamonayi, Josaphat Mulumba; Kazadi, Simon Tshimankinda; Matungulu, Charles Matungu; Musau, Angel Nkola; Mulamba, Diese; Dramaix-Wilmet, Michèle; Donnen, Philippe

2017-01-01

This study aimed to determine modern contraceptive prevalence and the barriers to using modern contraceptive methods among the couples in Dibindi health zone, Mbuji-Mayi, in the Democratic Republic of the Congo. We conducted a cross-sectional descriptive study from May to June 2015. Nonpregnant married women aged 15-49 years old at the time of the investigation, living in Dibindi health zone for two years and having freely consented to participate in the study were included. Data were collected by open-ended interview of these women. Modern contraceptive prevalence was referred to women who were currently using, at the time of the investigation, modern contraceptives. The comparison between proportions was performed at the significance threshold of 5%. Bonferroni's test was used to compare, two by two, the proportions of barriers to using modern contraceptive methods. Modern contraceptive prevalence in Dibindi was 18.4% in 2015. It was low with regard to family planning services available in this health zone. Several women refused to use modern contraceptive methods despite available information because of their desire for motherhood, religious prohibition, opposition on the part of their husband and fear of side effects. Sufficient client-centered or couple-centered information and family planning information should be strengthened in order to eliminate the false beliefs and to increase the use of modern contraceptive methods.

The Jinn and the Computer. Consumption and Identity in Arabic Children's Magazines

ERIC Educational Resources Information Center

Peterson, Mark Allen

2005-01-01

One of the fundamental problems facing middle-class Egyptian parents is the problem of how to ensure that their children are simultaneously modern and Egyptian. Arabic children's magazines offer a window into the processes by which consumption links childhood and modernity in the social imaginations of children and their parents as they construct…

Adaptationism and intuitions about modern criminal justice.

PubMed

Petersen, Michael Bang

2013-02-01

Research indicates that individuals have incoherent intuitions about particular features of the criminal justice system. This could be seen as an argument against the existence of adapted computational systems for counter-exploitation. Here, I outline how the model developed by McCullough et al. readily predicts the production of conflicting intuitions in the context of modern criminal justice issues.

[Some engineering problems on developing production industry of modern traditional Chinese medicine].

PubMed

Qu, Hai-bin; Cheng, Yi-yu; Wang, Yue-sheng

2003-10-01

Based on the review of some engineering problems on developing modern production industry of Traditional Chinese Medicine (TCM), the differences of TCM production industry between China and abroad were pointed out. Accelerating the application and extension of high-tech and computer integrated manufacturing system (CIMS) were suggested to promote the technology advancement of TCM industry.

Small Atomic Orbital Basis Set First‐Principles Quantum Chemical Methods for Large Molecular and Periodic Systems: A Critical Analysis of Error Sources

PubMed Central

Sure, Rebecca; Brandenburg, Jan Gerit

2015-01-01

Abstract In quantum chemical computations the combination of Hartree–Fock or a density functional theory (DFT) approximation with relatively small atomic orbital basis sets of double‐zeta quality is still widely used, for example, in the popular B3LYP/6‐31G* approach. In this Review, we critically analyze the two main sources of error in such computations, that is, the basis set superposition error on the one hand and the missing London dispersion interactions on the other. We review various strategies to correct those errors and present exemplary calculations on mainly noncovalently bound systems of widely varying size. Energies and geometries of small dimers, large supramolecular complexes, and molecular crystals are covered. We conclude that it is not justified to rely on fortunate error compensation, as the main inconsistencies can be cured by modern correction schemes which clearly outperform the plain mean‐field methods. PMID:27308221

Validation of a RANS transition model using a high-order weighted compact nonlinear scheme

NASA Astrophysics Data System (ADS)

Tu, GuoHua; Deng, XiaoGang; Mao, MeiLiang

2013-04-01

A modified transition model is given based on the shear stress transport (SST) turbulence model and an intermittency transport equation. The energy gradient term in the original model is replaced by flow strain rate to saving computational costs. The model employs local variables only, and then it can be conveniently implemented in modern computational fluid dynamics codes. The fifth-order weighted compact nonlinear scheme and the fourth-order staggered scheme are applied to discrete the governing equations for the purpose of minimizing discretization errors, so as to mitigate the confusion between numerical errors and transition model errors. The high-order package is compared with a second-order TVD method on simulating the transitional flow of a flat plate. Numerical results indicate that the high-order package give better grid convergence property than that of the second-order method. Validation of the transition model is performed for transitional flows ranging from low speed to hypersonic speed.

An experimental phylogeny to benchmark ancestral sequence reconstruction

PubMed Central

Randall, Ryan N.; Radford, Caelan E.; Roof, Kelsey A.; Natarajan, Divya K.; Gaucher, Eric A.

2016-01-01

Ancestral sequence reconstruction (ASR) is a still-burgeoning method that has revealed many key mechanisms of molecular evolution. One criticism of the approach is an inability to validate its algorithms within a biological context as opposed to a computer simulation. Here we build an experimental phylogeny using the gene of a single red fluorescent protein to address this criticism. The evolved phylogeny consists of 19 operational taxonomic units (leaves) and 17 ancestral bifurcations (nodes) that display a wide variety of fluorescent phenotypes. The 19 leaves then serve as ‘modern' sequences that we subject to ASR analyses using various algorithms and to benchmark against the known ancestral genotypes and ancestral phenotypes. We confirm computer simulations that show all algorithms infer ancient sequences with high accuracy, yet we also reveal wide variation in the phenotypes encoded by incorrectly inferred sequences. Specifically, Bayesian methods incorporating rate variation significantly outperform the maximum parsimony criterion in phenotypic accuracy. Subsampling of extant sequences had minor effect on the inference of ancestral sequences. PMID:27628687

Acoustical qualification of Teatro Nuovo in Spoleto before refurbishing works

NASA Astrophysics Data System (ADS)

Cocchi, Alessandro; Cesare Consumi, Marco; Shimokura, Ryota

2004-05-01

To qualify the acoustical quality of an opera house two different approaches are now available: one is based on responses of qualified listeners (subjective judgments) compared with objective values of selected parameters, the other on comparison tests conducted in suited rooms and on a model of the auditory brain system (preference). In the occasion of the refurbishment of an opera house known for the Two Worlds Festival edited yearly by the Italian Composer G. C. Menotti, a large number of measurements were taken with different techniques, so it is possible to compare the different methods and also the results with some geometrical criterion, based on the most simple rules of musical harmony, now neglected as our attention is attracted to computer simulations, computer aided measurement techniques and similar modern methods. From this work some link between well known acoustical parameters (not known at the time when architects sketched the shape of ancient opera houses) and geometrical criteria (well known at the time when ancient opera houses were built) will be shown.

Principles of Tablet Computing for Educators

ERIC Educational Resources Information Center

Katzan, Harry, Jr.

2015-01-01

In the study of modern technology for the 21st century, one of the most popular subjects is tablet computing. Tablet computers are now used in business, government, education, and the personal lives of practically everyone--at least, it seems that way. As of October 2013, Apple has sold 170 million iPads. The success of tablets is enormous and has…

Incorporating Knowledge of Legal and Ethical Aspects into Computing Curricula of South African Universities

ERIC Educational Resources Information Center

Wayman, Ian; Kyobe, Michael

2012-01-01

As students in computing disciplines are introduced to modern information technologies, numerous unethical practices also escalate. With the increase in stringent legislations on use of IT, users of technology could easily be held liable for violation of this legislation. There is however lack of understanding of social aspects of computing, and…

The Effects of Modern Mathematics Computer Games on Mathematics Achievement and Class Motivation

ERIC Educational Resources Information Center

Kebritchi, Mansureh; Hirumi, Atsusi; Bai, Haiyan

2010-01-01

This study examined the effects of a computer game on students' mathematics achievement and motivation, and the role of prior mathematics knowledge, computer skill, and English language skill on their achievement and motivation as they played the game. A total of 193 students and 10 teachers participated in this study. The teachers were randomly…

A Computational Turn: Fiction and the Forms of Invention, 1965-1980

ERIC Educational Resources Information Center

Sims, Matthew

2017-01-01

This dissertation examines the relationship between American fiction and computing. More specifically, it argues that each domain explored similar formal possibilities during a period I refer to as Early Postmodernism (1965-1980). In the case of computing, the 60s and 70s represent a turning point in which modern systems and approaches were…

The modern library: lost and found.

PubMed Central

Lindberg, D A

1996-01-01

The modern library, a term that was heard frequently in the mid-twentieth century, has fallen into disuse. The over-promotion of computers and all that their enthusiasts promised probably hastened its demise. Today, networking is transforming how libraries provide--and users seek--information. Although the Internet is the natural environment for the health sciences librarian, it is going through growing pains as we face issues of censorship and standards. Today's "modern librarian" must not only be adept at using the Internet but must become familiar with digital information in all its forms--images, full text, and factual data banks. Most important, to stay "modern," today's librarians must embark on a program of lifelong learning that will enable them to make optimum use of the advantages offered by modern technology. PMID:8938334

Determinants of modern family planning use among women of reproductive age in the Nkwanta district of Ghana: a case–control study

PubMed Central

2014-01-01

Background Average contraceptive prevalence rate in the Nkwanta district of Ghana was estimated to be 6.2% relative to the national average at the time, of 19%. While several efforts had been made to improve family planning in the country, the district still had very low use of modern family planning methods. This study sought to determine the factors that influenced modern family planning use in general and specifically, the factors that determined the consistently low use of modern family planning methods in the district. Methods A case–control study was conducted in the Nkwanta district of Ghana to determine socio-economic, socio-cultural and service delivery factors influencing family planning usage. One hundred and thirty cases and 260 controls made up of women aged 15–49 years were interviewed using structured questionnaires. A logistic regression was fitted. Results Awareness and knowledge of modern family planning methods were high among cases and controls (over 90%). Lack of formal education among women, socio-cultural beliefs and spousal communication were found to influence modern family planning use. Furthermore, favourable opening hours of the facilities and distance to health facilities influenced the use of modern contraceptives. Conclusion While modern family planning seemed to be common knowledge among these women, actual use of such contraceptives was limited. There is need to improve use of modern family planning methods in the district. In addition to providing health facilities and consolidating close-to-client service initiatives in the district, policies directed towards improving modern family planning method use need to consider the influence of formal education. Promoting basic education, especially among females, will be a crucial step as the district is faced with high levels of school dropout and illiteracy rates. PMID:25117887

PLM in the context of the maritime virtual education

NASA Astrophysics Data System (ADS)

Raicu, Alexandra; Oanta, Emil M.

2016-12-01

This paper presents new approaches regarding the use of Product Lifecycle Management concept to achieve knowledge integration of the academic disciplines in the maritime education context. The philosophy of the educational system is now changing faster worldwide and it is in a continuous developing process. There is a demand to develop modern educational facilities for CAD/CAE/CAM training of the future maritime engineers, which offers collaborative environments between the academic disciplines and the teachers. It is well known that the students must understand the importance of the connectivity between the academic disciplines and the computer aided methods to interface them. Thus, besides the basic knowledge and competences acquired from the CAD courses, students learn how to increase the design productivity, to create a parametric design, the original instruments of automatic design, 3D printing methods, how to interface the CAD/CAE/CAM applications. As an example, the Strength of Materials discipline briefly presents alternate computer aided methods to compute the geometrical characteristics of the cross sections using the CAD geometry, creation the free body diagrams and presentation the deflected shapes of various educational models, including the rotational effect when the forces are not applied in the shear center, using the results of the FEM applications. During the computer aided engineering academic disciplines, after the students design and analyze a virtual 3D model they can convert it into a physical object using 3D printing method. Constanta Maritime University offers a full understanding of the concept of Product Lifecycle Management, collaborative creation, management and dissemination.

Bringing Legacy Visualization Software to Modern Computing Devices via Application Streaming

NASA Astrophysics Data System (ADS)

Fisher, Ward

2014-05-01

Planning software compatibility across forthcoming generations of computing platforms is a problem commonly encountered in software engineering and development. While this problem can affect any class of software, data analysis and visualization programs are particularly vulnerable. This is due in part to their inherent dependency on specialized hardware and computing environments. A number of strategies and tools have been designed to aid software engineers with this task. While generally embraced by developers at 'traditional' software companies, these methodologies are often dismissed by the scientific software community as unwieldy, inefficient and unnecessary. As a result, many important and storied scientific software packages can struggle to adapt to a new computing environment; for example, one in which much work is carried out on sub-laptop devices (such as tablets and smartphones). Rewriting these packages for a new platform often requires significant investment in terms of development time and developer expertise. In many cases, porting older software to modern devices is neither practical nor possible. As a result, replacement software must be developed from scratch, wasting resources better spent on other projects. Enabled largely by the rapid rise and adoption of cloud computing platforms, 'Application Streaming' technologies allow legacy visualization and analysis software to be operated wholly from a client device (be it laptop, tablet or smartphone) while retaining full functionality and interactivity. It mitigates much of the developer effort required by other more traditional methods while simultaneously reducing the time it takes to bring the software to a new platform. This work will provide an overview of Application Streaming and how it compares against other technologies which allow scientific visualization software to be executed from a remote computer. We will discuss the functionality and limitations of existing application streaming frameworks and how a developer might prepare their software for application streaming. We will also examine the secondary benefits realized by moving legacy software to the cloud. Finally, we will examine the process by which a legacy Java application, the Integrated Data Viewer (IDV), is to be adapted for tablet computing via Application Streaming.

Modular method of detection, localization, and counting of multiple-taxon pollen apertures using bag-of-words

NASA Astrophysics Data System (ADS)

Lozano-Vega, Gildardo; Benezeth, Yannick; Marzani, Franck; Boochs, Frank

2014-09-01

Accurate recognition of airborne pollen taxa is crucial for understanding and treating allergic diseases which affect an important proportion of the world population. Modern computer vision techniques enable the detection of discriminant characteristics. Apertures are among the important characteristics which have not been adequately explored until now. A flexible method of detection, localization, and counting of apertures of different pollen taxa with varying appearances is proposed. Aperture description is based on primitive images following the bag-of-words strategy. A confidence map is estimated based on the classification of sampled regions. The method is designed to be extended modularly to new aperture types employing the same algorithm by building individual classifiers. The method was evaluated on the top five allergenic pollen taxa in Germany, and its robustness to unseen particles was verified.

Alignment-free genetic sequence comparisons: a review of recent approaches by word analysis

PubMed Central

Steele, Joe; Bastola, Dhundy

2014-01-01

Modern sequencing and genome assembly technologies have provided a wealth of data, which will soon require an analysis by comparison for discovery. Sequence alignment, a fundamental task in bioinformatics research, may be used but with some caveats. Seminal techniques and methods from dynamic programming are proving ineffective for this work owing to their inherent computational expense when processing large amounts of sequence data. These methods are prone to giving misleading information because of genetic recombination, genetic shuffling and other inherent biological events. New approaches from information theory, frequency analysis and data compression are available and provide powerful alternatives to dynamic programming. These new methods are often preferred, as their algorithms are simpler and are not affected by synteny-related problems. In this review, we provide a detailed discussion of computational tools, which stem from alignment-free methods based on statistical analysis from word frequencies. We provide several clear examples to demonstrate applications and the interpretations over several different areas of alignment-free analysis such as base–base correlations, feature frequency profiles, compositional vectors, an improved string composition and the D2 statistic metric. Additionally, we provide detailed discussion and an example of analysis by Lempel–Ziv techniques from data compression. PMID:23904502

First principles statistical mechanics of alloys and magnetism

NASA Astrophysics Data System (ADS)

Eisenbach, Markus; Khan, Suffian N.; Li, Ying Wai

Modern high performance computing resources are enabling the exploration of the statistical physics of phase spaces with increasing size and higher fidelity of the Hamiltonian of the systems. For selected systems, this now allows the combination of Density Functional based first principles calculations with classical Monte Carlo methods for parameter free, predictive thermodynamics of materials. We combine our locally selfconsistent real space multiple scattering method for solving the Kohn-Sham equation with Wang-Landau Monte-Carlo calculations (WL-LSMS). In the past we have applied this method to the calculation of Curie temperatures in magnetic materials. Here we will present direct calculations of the chemical order - disorder transitions in alloys. We present our calculated transition temperature for the chemical ordering in CuZn and the temperature dependence of the short-range order parameter and specific heat. Finally we will present the extension of the WL-LSMS method to magnetic alloys, thus allowing the investigation of the interplay of magnetism, structure and chemical order in ferrous alloys. This research was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Science and Engineering Division and it used Oak Ridge Leadership Computing Facility resources at Oak Ridge National Laboratory.

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

USGS Publications Warehouse

Link, William; Sauer, John; Niven, Daniel

2017-01-01

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

CyberPsychological Computation on Social Community of Ubiquitous Learning.

PubMed

Zhou, Xuan; Dai, Genghui; Huang, Shuang; Sun, Xuemin; Hu, Feng; Hu, Hongzhi; Ivanović, Mirjana

2015-01-01

Under the modern network environment, ubiquitous learning has been a popular way for people to study knowledge, exchange ideas, and share skills in the cyberspace. Existing research findings indicate that the learners' initiative and community cohesion play vital roles in the social communities of ubiquitous learning, and therefore how to stimulate the learners' interest and participation willingness so as to improve their enjoyable experiences in the learning process should be the primary consideration on this issue. This paper aims to explore an effective method to monitor the learners' psychological reactions based on their behavioral features in cyberspace and therefore provide useful references for adjusting the strategies in the learning process. In doing so, this paper firstly analyzes the psychological assessment of the learners' situations as well as their typical behavioral patterns and then discusses the relationship between the learners' psychological reactions and their observable features in cyberspace. Finally, this paper puts forward a CyberPsychological computation method to estimate the learners' psychological states online. Considering the diversity of learners' habitual behaviors in the reactions to their psychological changes, a BP-GA neural network is proposed for the computation based on their personalized behavioral patterns.

CyberPsychological Computation on Social Community of Ubiquitous Learning

PubMed Central

Zhou, Xuan; Dai, Genghui; Huang, Shuang; Sun, Xuemin; Hu, Feng; Hu, Hongzhi; Ivanović, Mirjana

2015-01-01

Under the modern network environment, ubiquitous learning has been a popular way for people to study knowledge, exchange ideas, and share skills in the cyberspace. Existing research findings indicate that the learners' initiative and community cohesion play vital roles in the social communities of ubiquitous learning, and therefore how to stimulate the learners' interest and participation willingness so as to improve their enjoyable experiences in the learning process should be the primary consideration on this issue. This paper aims to explore an effective method to monitor the learners' psychological reactions based on their behavioral features in cyberspace and therefore provide useful references for adjusting the strategies in the learning process. In doing so, this paper firstly analyzes the psychological assessment of the learners' situations as well as their typical behavioral patterns and then discusses the relationship between the learners' psychological reactions and their observable features in cyberspace. Finally, this paper puts forward a CyberPsychological computation method to estimate the learners' psychological states online. Considering the diversity of learners' habitual behaviors in the reactions to their psychological changes, a BP-GA neural network is proposed for the computation based on their personalized behavioral patterns. PMID:26557846

Derivation of Reliable Geometries in QM Calculations of DNA Structures: Explicit Solvent QM/MM and Restrained Implicit Solvent QM Optimizations of G-Quadruplexes.

PubMed

Gkionis, Konstantinos; Kruse, Holger; Šponer, Jiří

2016-04-12

Modern dispersion-corrected DFT methods have made it possible to perform reliable QM studies on complete nucleic acid (NA) building blocks having hundreds of atoms. Such calculations, although still limited to investigations of potential energy surfaces, enhance the portfolio of computational methods applicable to NAs and offer considerably more accurate intrinsic descriptions of NAs than standard MM. However, in practice such calculations are hampered by the use of implicit solvent environments and truncation of the systems. Conventional QM optimizations are spoiled by spurious intramolecular interactions and severe structural deformations. Here we compare two approaches designed to suppress such artifacts: partially restrained continuum solvent QM and explicit solvent QM/MM optimizations. We report geometry relaxations of a set of diverse double-quartet guanine quadruplex (GQ) DNA stems. Both methods provide neat structures without major artifacts. However, each one also has distinct weaknesses. In restrained optimizations, all errors in the target geometries (i.e., low-resolution X-ray and NMR structures) are transferred to the optimized geometries. In QM/MM, the initial solvent configuration causes some heterogeneity in the geometries. Nevertheless, both approaches represent a decisive step forward compared to conventional optimizations. We refine earlier computations that revealed sizable differences in the relative energies of GQ stems computed with AMBER MM and QM. We also explore the dependence of the QM/MM results on the applied computational protocol.

Bayes and the Law

PubMed Central

Fenton, Norman; Neil, Martin; Berger, Daniel

2016-01-01

Although the last forty years has seen considerable growth in the use of statistics in legal proceedings, it is primarily classical statistical methods rather than Bayesian methods that have been used. Yet the Bayesian approach avoids many of the problems of classical statistics and is also well suited to a broader range of problems. This paper reviews the potential and actual use of Bayes in the law and explains the main reasons for its lack of impact on legal practice. These include misconceptions by the legal community about Bayes’ theorem, over-reliance on the use of the likelihood ratio and the lack of adoption of modern computational methods. We argue that Bayesian Networks (BNs), which automatically produce the necessary Bayesian calculations, provide an opportunity to address most concerns about using Bayes in the law. PMID:27398389

A guide to missing data for the pediatric nephrologist.

PubMed

Larkins, Nicholas G; Craig, Jonathan C; Teixeira-Pinto, Armando

2018-03-13

Missing data is an important and common source of bias in clinical research. Readers should be alert to and consider the impact of missing data when reading studies. Beyond preventing missing data in the first place, through good study design and conduct, there are different strategies available to handle data containing missing observations. Complete case analysis is often biased unless data are missing completely at random. Better methods of handling missing data include multiple imputation and models using likelihood-based estimation. With advancing computing power and modern statistical software, these methods are within the reach of clinician-researchers under guidance of a biostatistician. As clinicians reading papers, we need to continue to update our understanding of statistical methods, so that we understand the limitations of these techniques and can critically interpret literature.

Automatic high-throughput screening of colloidal crystals using machine learning

NASA Astrophysics Data System (ADS)

Spellings, Matthew; Glotzer, Sharon C.

Recent improvements in hardware and software have united to pose an interesting problem for computational scientists studying self-assembly of particles into crystal structures: while studies covering large swathes of parameter space can be dispatched at once using modern supercomputers and parallel architectures, identifying the different regions of a phase diagram is often a serial task completed by hand. While analytic methods exist to distinguish some simple structures, they can be difficult to apply, and automatic identification of more complex structures is still lacking. In this talk we describe one method to create numerical ``fingerprints'' of local order and use them to analyze a study of complex ordered structures. We can use these methods as first steps toward automatic exploration of parameter space and, more broadly, the strategic design of new materials.

Bayes and the Law.

PubMed

Fenton, Norman; Neil, Martin; Berger, Daniel

2016-06-01

Although the last forty years has seen considerable growth in the use of statistics in legal proceedings, it is primarily classical statistical methods rather than Bayesian methods that have been used. Yet the Bayesian approach avoids many of the problems of classical statistics and is also well suited to a broader range of problems. This paper reviews the potential and actual use of Bayes in the law and explains the main reasons for its lack of impact on legal practice. These include misconceptions by the legal community about Bayes' theorem, over-reliance on the use of the likelihood ratio and the lack of adoption of modern computational methods. We argue that Bayesian Networks (BNs), which automatically produce the necessary Bayesian calculations, provide an opportunity to address most concerns about using Bayes in the law.

USSR Report, Military Affairs Foreign Military Review No 6, June 1986

DTIC Science & Technology

1986-11-20

computers used for an objective accounting of the difference in current firing conditions from standard hold an important place in integrated fire...control systems of modern tanks of capitalist countries. Mechanical ballistic computers gave way in the early 1970’s to electronic computers , initially...made with analog components. Then digital ballistic computers were created, installed in particular in the Ml Abrams and Leopard-2 tanks. The basic

The Use of Field Programmable Gate Arrays (FPGA) in Small Satellite Communication Systems

NASA Technical Reports Server (NTRS)

Varnavas, Kosta; Sims, William Herbert; Casas, Joseph

2015-01-01

This paper will describe the use of digital Field Programmable Gate Arrays (FPGA) to contribute to advancing the state-of-the-art in software defined radio (SDR) transponder design for the emerging SmallSat and CubeSat industry and to provide advances for NASA as described in the TAO5 Communication and Navigation Roadmap (Ref 4). The use of software defined radios (SDR) has been around for a long time. A typical implementation of the SDR is to use a processor and write software to implement all the functions of filtering, carrier recovery, error correction, framing etc. Even with modern high speed and low power digital signal processors, high speed memories, and efficient coding, the compute intensive nature of digital filters, error correcting and other algorithms is too much for modern processors to get efficient use of the available bandwidth to the ground. By using FPGAs, these compute intensive tasks can be done in parallel, pipelined fashion and more efficiently use every clock cycle to significantly increase throughput while maintaining low power. These methods will implement digital radios with significant data rates in the X and Ka bands. Using these state-of-the-art technologies, unprecedented uplink and downlink capabilities can be achieved in a 1/2 U sized telemetry system. Additionally, modern FPGAs have embedded processing systems, such as ARM cores, integrated inside the FPGA allowing mundane tasks such as parameter commanding to occur easily and flexibly. Potential partners include other NASA centers, industry and the DOD. These assets are associated with small satellite demonstration flights, LEO and deep space applications. MSFC currently has an SDR transponder test-bed using Hardware-in-the-Loop techniques to evaluate and improve SDR technologies.

Computational Pathology

PubMed Central

Louis, David N.; Feldman, Michael; Carter, Alexis B.; Dighe, Anand S.; Pfeifer, John D.; Bry, Lynn; Almeida, Jonas S.; Saltz, Joel; Braun, Jonathan; Tomaszewski, John E.; Gilbertson, John R.; Sinard, John H.; Gerber, Georg K.; Galli, Stephen J.; Golden, Jeffrey A.; Becich, Michael J.

2016-01-01

Context We define the scope and needs within the new discipline of computational pathology, a discipline critical to the future of both the practice of pathology and, more broadly, medical practice in general. Objective To define the scope and needs of computational pathology. Data Sources A meeting was convened in Boston, Massachusetts, in July 2014 prior to the annual Association of Pathology Chairs meeting, and it was attended by a variety of pathologists, including individuals highly invested in pathology informatics as well as chairs of pathology departments. Conclusions The meeting made recommendations to promote computational pathology, including clearly defining the field and articulating its value propositions; asserting that the value propositions for health care systems must include means to incorporate robust computational approaches to implement data-driven methods that aid in guiding individual and population health care; leveraging computational pathology as a center for data interpretation in modern health care systems; stating that realizing the value proposition will require working with institutional administrations, other departments, and pathology colleagues; declaring that a robust pipeline should be fostered that trains and develops future computational pathologists, for those with both pathology and non-pathology backgrounds; and deciding that computational pathology should serve as a hub for data-related research in health care systems. The dissemination of these recommendations to pathology and bioinformatics departments should help facilitate the development of computational pathology. PMID:26098131

Introduction to Methods of Approximation in Physics and Astronomy

NASA Astrophysics Data System (ADS)

van Putten, Maurice H. P. M.

2017-04-01

Modern astronomy reveals an evolving Universe rife with transient sources, mostly discovered - few predicted - in multi-wavelength observations. Our window of observations now includes electromagnetic radiation, gravitational waves and neutrinos. For the practicing astronomer, these are highly interdisciplinary developments that pose a novel challenge to be well-versed in astroparticle physics and data analysis. In realizing the full discovery potential of these multimessenger approaches, the latter increasingly involves high-performance supercomputing. These lecture notes developed out of lectures on mathematical-physics in astronomy to advanced undergraduate and beginning graduate students. They are organised to be largely self-contained, starting from basic concepts and techniques in the formulation of problems and methods of approximation commonly used in computation and numerical analysis. This includes root finding, integration, signal detection algorithms involving the Fourier transform and examples of numerical integration of ordinary differential equations and some illustrative aspects of modern computational implementation. In the applications, considerable emphasis is put on fluid dynamical problems associated with accretion flows, as these are responsible for a wealth of high energy emission phenomena in astronomy. The topics chosen are largely aimed at phenomenological approaches, to capture main features of interest by effective methods of approximation at a desired level of accuracy and resolution. Formulated in terms of a system of algebraic, ordinary or partial differential equations, this may be pursued by perturbation theory through expansions in a small parameter or by direct numerical computation. Successful application of these methods requires a robust understanding of asymptotic behavior, errors and convergence. In some cases, the number of degrees of freedom may be reduced, e.g., for the purpose of (numerical) continuation or to identify secular behavior. For instance, secular evolution of orbital parameters may derive from averaging over essentially periodic behavior on relatively short, orbital periods. When the original number of degrees of freedom is large, averaging over dynamical time scales may lead to a formulation in terms of a system in approximately thermodynamic equilibrium subject to evolution on a secular time scale by a regular or singular perturbation. In modern astrophysics and cosmology, gravitation is being probed across an increasingly broad range of scales and more accurately so than ever before. These observations probe weak gravitational interactions below what is encountered in our solar system by many orders of magnitude. These observations hereby probe (curved) spacetime at low energy scales that may reveal novel properties hitherto unanticipated in the classical vacuum of Newtonian mechanics and Minkowski spacetime. Dark energy and dark matter encountered on the scales of galaxies and beyond, therefore, may be, in part, revealing our ignorance of the vacuum at the lowest energy scales encountered in cosmology. In this context, our application of Newtonian mechanics to globular clusters, galaxies and cosmology is an approximation assuming a classical vacuum, ignoring the potential for hidden low energy scales emerging on cosmological scales. Given our ignorance of the latter, this poses a challenge in the potential for unknown systematic deviations. If of quantum mechanical origin, such deviations are often referred to as anomalies. While they are small in traditional, macroscopic Newtonian experiments in the laboratory, they same is not a given in the limit of arbitrarily weak gravitational interactions. We hope this selection of introductory material is useful and kindles the reader's interest to become a creative member of modern astrophysics and cosmology.

A multiresolution approach for the convergence acceleration of multivariate curve resolution methods.

PubMed

Sawall, Mathias; Kubis, Christoph; Börner, Armin; Selent, Detlef; Neymeyr, Klaus

2015-09-03

Modern computerized spectroscopic instrumentation can result in high volumes of spectroscopic data. Such accurate measurements rise special computational challenges for multivariate curve resolution techniques since pure component factorizations are often solved via constrained minimization problems. The computational costs for these calculations rapidly grow with an increased time or frequency resolution of the spectral measurements. The key idea of this paper is to define for the given high-dimensional spectroscopic data a sequence of coarsened subproblems with reduced resolutions. The multiresolution algorithm first computes a pure component factorization for the coarsest problem with the lowest resolution. Then the factorization results are used as initial values for the next problem with a higher resolution. Good initial values result in a fast solution on the next refined level. This procedure is repeated and finally a factorization is determined for the highest level of resolution. The described multiresolution approach allows a considerable convergence acceleration. The computational procedure is analyzed and is tested for experimental spectroscopic data from the rhodium-catalyzed hydroformylation together with various soft and hard models. Copyright © 2015 Elsevier B.V. All rights reserved.

Feasibility study for the implementation of NASTRAN on the ILLIAC 4 parallel processor

NASA Technical Reports Server (NTRS)

Field, E. I.

1975-01-01

The ILLIAC IV, a fourth generation multiprocessor using parallel processing hardware concepts, is operational at Moffett Field, California. Its capability to excel at matrix manipulation, makes the ILLIAC well suited for performing structural analyses using the finite element displacement method. The feasibility of modifying the NASTRAN (NASA structural analysis) computer program to make effective use of the ILLIAC IV was investigated. The characteristics are summarized of the ILLIAC and the ARPANET, a telecommunications network which spans the continent making the ILLIAC accessible to nearly all major industrial centers in the United States. Two distinct approaches are studied: retaining NASTRAN as it now operates on many of the host computers of the ARPANET to process the input and output while using the ILLIAC only for the major computational tasks, and installing NASTRAN to operate entirely in the ILLIAC environment. Though both alternatives offer similar and significant increases in computational speed over modern third generation processors, the full installation of NASTRAN on the ILLIAC is recommended. Specifications are presented for performing that task with manpower estimates and schedules to correspond.

Application of terrestrial 'structure-from-motion' photogrammetry on a medium-size Arctic valley glacier: potential, accuracy and limitations

NASA Astrophysics Data System (ADS)

Hynek, Bernhard; Binder, Daniel; Boffi, Geo; Schöner, Wolfgang; Verhoeven, Geert

2014-05-01

Terrestrial photogrammetry was the standard method for mapping high mountain terrain in the early days of mountain cartography, until it was replaced by aerial photogrammetry and airborne laser scanning. Modern low-price digital single-lens reflex (DSLR) cameras and highly automatic and cheap digital computer vision software with automatic image matching and multiview-stereo routines suggest the rebirth of terrestrial photogrammetry, especially in remote regions, where airborne surveying methods are expensive due to high flight costs. Terrestrial photogrammetry and modern automated image matching is widely used in geodesy, however, its application in glaciology is still rare, especially for surveying ice bodies at the scale of some km², which is typical for valley glaciers. In August 2013 a terrestrial photogrammetric survey was carried out on Freya Glacier, a 6km² valley glacier next to Zackenberg Research Station in NE-Greenland, where a detailed glacier mass balance monitoring was initiated during the last IPY. Photos with a consumer grade digital camera (Nikon D7100) were taken from the ridges surrounding the glacier. To create a digital elevation model, the photos were processed with the software photoscan. A set of ~100 dGPS surveyed ground control points on the glacier surface was used to georeference and validate the final DEM. Aim of this study was to produce a high resolution and high accuracy DEM of the actual surface topography of the Freya glacier catchment with a novel approach and to explore the potential of modern low-cost terrestrial photogrammetry combined with state-of-the-art automated image matching and multiview-stereo routines for glacier monitoring and to communicate this powerful and cheap method within the environmental research and glacier monitoring community.

Predictive Method for Correct Identification of Archaeological Charred Grape Seeds: Support for Advances in Knowledge of Grape Domestication Process

PubMed Central

Ucchesu, Mariano; Orrù, Martino; Grillo, Oscar; Venora, Gianfranco; Paglietti, Giacomo; Ardu, Andrea; Bacchetta, Gianluigi

2016-01-01

The identification of archaeological charred grape seeds is a difficult task due to the alteration of the morphological seeds shape. In archaeobotanical studies, for the correct discrimination between Vitis vinifera subsp. sylvestris and Vitis vinifera subsp. vinifera grape seeds it is very important to understand the history and origin of the domesticated grapevine. In this work, different carbonisation experiments were carried out using a hearth to reproduce the same burning conditions that occurred in archaeological contexts. In addition, several carbonisation trials on modern wild and cultivated grape seeds were performed using a muffle furnace. For comparison with archaeological materials, modern grape seed samples were obtained using seven different temperatures of carbonisation ranging between 180 and 340ºC for 120 min. Analysing the grape seed size and shape by computer vision techniques, and applying the stepwise linear discriminant analysis (LDA) method, discrimination of the wild from the cultivated charred grape seeds was possible. An overall correct classification of 93.3% was achieved. Applying the same statistical procedure to compare modern charred with archaeological grape seeds, found in Sardinia and dating back to the Early Bronze Age (2017–1751 2σ cal. BC), allowed 75.0% of the cases to be identified as wild grape. The proposed method proved to be a useful and effective procedure in identifying, with high accuracy, the charred grape seeds found in archaeological sites. Moreover, it may be considered valid support for advances in the knowledge and comprehension of viticulture adoption and the grape domestication process. The same methodology may also be successful when applied to other plant remains, and provide important information about the history of domesticated plants. PMID:26901361

Predictive Method for Correct Identification of Archaeological Charred Grape Seeds: Support for Advances in Knowledge of Grape Domestication Process.

PubMed

Ucchesu, Mariano; Orrù, Martino; Grillo, Oscar; Venora, Gianfranco; Paglietti, Giacomo; Ardu, Andrea; Bacchetta, Gianluigi

2016-01-01

The identification of archaeological charred grape seeds is a difficult task due to the alteration of the morphological seeds shape. In archaeobotanical studies, for the correct discrimination between Vitis vinifera subsp. sylvestris and Vitis vinifera subsp. vinifera grape seeds it is very important to understand the history and origin of the domesticated grapevine. In this work, different carbonisation experiments were carried out using a hearth to reproduce the same burning conditions that occurred in archaeological contexts. In addition, several carbonisation trials on modern wild and cultivated grape seeds were performed using a muffle furnace. For comparison with archaeological materials, modern grape seed samples were obtained using seven different temperatures of carbonisation ranging between 180 and 340ºC for 120 min. Analysing the grape seed size and shape by computer vision techniques, and applying the stepwise linear discriminant analysis (LDA) method, discrimination of the wild from the cultivated charred grape seeds was possible. An overall correct classification of 93.3% was achieved. Applying the same statistical procedure to compare modern charred with archaeological grape seeds, found in Sardinia and dating back to the Early Bronze Age (2017-1751 2σ cal. BC), allowed 75.0% of the cases to be identified as wild grape. The proposed method proved to be a useful and effective procedure in identifying, with high accuracy, the charred grape seeds found in archaeological sites. Moreover, it may be considered valid support for advances in the knowledge and comprehension of viticulture adoption and the grape domestication process. The same methodology may also be successful when applied to other plant remains, and provide important information about the history of domesticated plants.

A fast and objective multidimensional kernel density estimation method: fastKDE

DOE PAGES

O'Brien, Travis A.; Kashinath, Karthik; Cavanaugh, Nicholas R.; ...

2016-03-07

Numerous facets of scientific research implicitly or explicitly call for the estimation of probability densities. Histograms and kernel density estimates (KDEs) are two commonly used techniques for estimating such information, with the KDE generally providing a higher fidelity representation of the probability density function (PDF). Both methods require specification of either a bin width or a kernel bandwidth. While techniques exist for choosing the kernel bandwidth optimally and objectively, they are computationally intensive, since they require repeated calculation of the KDE. A solution for objectively and optimally choosing both the kernel shape and width has recently been developed by Bernacchiamore » and Pigolotti (2011). While this solution theoretically applies to multidimensional KDEs, it has not been clear how to practically do so. A method for practically extending the Bernacchia-Pigolotti KDE to multidimensions is introduced. This multidimensional extension is combined with a recently-developed computational improvement to their method that makes it computationally efficient: a 2D KDE on 10 5 samples only takes 1 s on a modern workstation. This fast and objective KDE method, called the fastKDE method, retains the excellent statistical convergence properties that have been demonstrated for univariate samples. The fastKDE method exhibits statistical accuracy that is comparable to state-of-the-science KDE methods publicly available in R, and it produces kernel density estimates several orders of magnitude faster. The fastKDE method does an excellent job of encoding covariance information for bivariate samples. This property allows for direct calculation of conditional PDFs with fastKDE. It is demonstrated how this capability might be leveraged for detecting non-trivial relationships between quantities in physical systems, such as transitional behavior.« less

Accelerating scientific computations with mixed precision algorithms

NASA Astrophysics Data System (ADS)

Baboulin, Marc; Buttari, Alfredo; Dongarra, Jack; Kurzak, Jakub; Langou, Julie; Langou, Julien; Luszczek, Piotr; Tomov, Stanimire

2009-12-01

On modern architectures, the performance of 32-bit operations is often at least twice as fast as the performance of 64-bit operations. By using a combination of 32-bit and 64-bit floating point arithmetic, the performance of many dense and sparse linear algebra algorithms can be significantly enhanced while maintaining the 64-bit accuracy of the resulting solution. The approach presented here can apply not only to conventional processors but also to other technologies such as Field Programmable Gate Arrays (FPGA), Graphical Processing Units (GPU), and the STI Cell BE processor. Results on modern processor architectures and the STI Cell BE are presented. Program summaryProgram title: ITER-REF Catalogue identifier: AECO_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AECO_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.: 7211 No. of bytes in distributed program, including test data, etc.: 41 862 Distribution format: tar.gz Programming language: FORTRAN 77 Computer: desktop, server Operating system: Unix/Linux RAM: 512 Mbytes Classification: 4.8 External routines: BLAS (optional) Nature of problem: On modern architectures, the performance of 32-bit operations is often at least twice as fast as the performance of 64-bit operations. By using a combination of 32-bit and 64-bit floating point arithmetic, the performance of many dense and sparse linear algebra algorithms can be significantly enhanced while maintaining the 64-bit accuracy of the resulting solution. Solution method: Mixed precision algorithms stem from the observation that, in many cases, a single precision solution of a problem can be refined to the point where double precision accuracy is achieved. A common approach to the solution of linear systems, either dense or sparse, is to perform the LU factorization of the coefficient matrix using Gaussian elimination. First, the coefficient matrix A is factored into the product of a lower triangular matrix L and an upper triangular matrix U. Partial row pivoting is in general used to improve numerical stability resulting in a factorization PA=LU, where P is a permutation matrix. The solution for the system is achieved by first solving Ly=Pb (forward substitution) and then solving Ux=y (backward substitution). Due to round-off errors, the computed solution, x, carries a numerical error magnified by the condition number of the coefficient matrix A. In order to improve the computed solution, an iterative process can be applied, which produces a correction to the computed solution at each iteration, which then yields the method that is commonly known as the iterative refinement algorithm. Provided that the system is not too ill-conditioned, the algorithm produces a solution correct to the working precision. Running time: seconds/minutes

A Smart Home Test Bed for Undergraduate Education to Bridge the Curriculum Gap from Traditional Power Systems to Modernized Smart Grids

ERIC Educational Resources Information Center

Hu, Qinran; Li, Fangxing; Chen, Chien-fei

2015-01-01

There is a worldwide trend to modernize old power grid infrastructures to form future smart grids, which will achieve efficient, flexible energy consumption by using the latest technologies in communication, computing, and control. Smart grid initiatives are moving power systems curricula toward smart grids. Although the components of smart grids…

Revisiting Mathematical Problem Solving and Posing in the Digital Era: Toward Pedagogically Sound Uses of Modern Technology

ERIC Educational Resources Information Center

Abramovich, S.

2014-01-01

The availability of sophisticated computer programs such as "Wolfram Alpha" has made many problems found in the secondary mathematics curriculum somewhat obsolete for they can be easily solved by the software. Against this background, an interplay between the power of a modern tool of technology and educational constraints it presents is…

Interscholastic Correspondence Exchanges in Celestin Freinet's Modern School Movement: Implications for Computer-Mediated Intercultural Learning Networks.

ERIC Educational Resources Information Center

Sayers, Dennis

Although the work of Celestin Freinet has exerted considerable influence on European education, it remains largely unknown to English-speaking educators. The Modern School Movement (MSM), which Freinet founded in 1926, is worldwide in scope, and has affiliated organizations in 13 countries with correspondent groups in more than 20 nations. The MSM…

Manual: Modern Gum Naval Stores Methods

Treesearch

Ralph W. Clements

1974-01-01

Modern gum naval stores methods have been developed to benefit both the gum producer and the timber owner. Following the methods described in this booklet will bring maximum gum yields, whill reduce chipping-labor requirements about 50 percent, and will make the worked-out tree saleable for other wood products. If these modern turpentining mehods are used, naval...

Discussion Forum Interactions: Text and Context

ERIC Educational Resources Information Center

Montero, Begona; Watts, Frances; Garcia-Carbonell, Amparo

2007-01-01

Computer-mediated communication (CMC) is currently used in language teaching as a bridge for the development of written and spoken skills [Kern, R., 1995. "Restructuring classroom interaction with networked computers: effects on quantity and characteristics of language production." "The Modern Language Journal" 79, 457-476]. Within CMC…

Welding--Trade or Profession?

ERIC Educational Resources Information Center

Albright, C. E.; Smith, Kenneth

2006-01-01

This article discusses a collaborative program between schools with the purpose of training and providing advanced education in welding. Modern manufacturing is turning to automation to increase productivity, but it can be a great challenge to program robots and other computer-controlled welding and joining systems. Computer programming and…

Relations between Some Characteristic Lengths in a Triangle

ERIC Educational Resources Information Center

Koepf, Wolfram; Brede, Markus

2005-01-01

The paper's aim is to note a remarkable (and apparently unknown) relation for right triangles, its generalisation to arbitrary triangles and the possibility to derive these and some related relations by elimination using Groebner basis computations with a modern computer algebra system. (Contains 9 figures.)

Scaling Watershed Models: Modern Approaches to Science Computation with MapReduce, Parallelization, and Cloud Optimization

EPA Science Inventory

Environmental models are products of the computer architecture and software tools available at the time of development. Scientifically sound algorithms may persist in their original state even as system architectures and software development approaches evolve and progress. Dating...

Research on an innovative design model

NASA Astrophysics Data System (ADS)

Fu, Y.; Fang, H.

2018-03-01

The design methods of furniture are different from east to west; it has been the hotspot of the scholars. However, in terms of the theory of modern design innovation, neither the early creation theory, the modern design theory, nor the widely applied TRIZ theory can fully fit the modern furniture design innovation, so it is urgent to study the modern furniture design theory. This paper is based on the idea of TRIZ theory, using lots of literatures as data, and uses the method of statistical stratification to analyze and sort out the research of modern sitting equipment, and finally put forward the modern furniture design model, which provides new ideas and perspectives for the modern design of Chinese furniture.

Computer and visual display terminals (VDT) vision syndrome (CVDTS).

PubMed

Parihar, J K S; Jain, Vaibhav Kumar; Chaturvedi, Piyush; Kaushik, Jaya; Jain, Gunjan; Parihar, Ashwini K S

2016-07-01

Computer and visual display terminals have become an essential part of modern lifestyle. The use of these devices has made our life simple in household work as well as in offices. However the prolonged use of these devices is not without any complication. Computer and visual display terminals syndrome is a constellation of symptoms ocular as well as extraocular associated with prolonged use of visual display terminals. This syndrome is gaining importance in this modern era because of the widespread use of technologies in day-to-day life. It is associated with asthenopic symptoms, visual blurring, dry eyes, musculoskeletal symptoms such as neck pain, back pain, shoulder pain, carpal tunnel syndrome, psychosocial factors, venous thromboembolism, shoulder tendonitis, and elbow epicondylitis. Proper identification of symptoms and causative factors are necessary for the accurate diagnosis and management. This article focuses on the various aspects of the computer vision display terminals syndrome described in the previous literature. Further research is needed for the better understanding of the complex pathophysiology and management.

Aerodynamic Characterization of a Modern Launch Vehicle

NASA Technical Reports Server (NTRS)

Hall, Robert M.; Holland, Scott D.; Blevins, John A.

2011-01-01

A modern launch vehicle is by necessity an extremely integrated design. The accurate characterization of its aerodynamic characteristics is essential to determine design loads, to design flight control laws, and to establish performance. The NASA Ares Aerodynamics Panel has been responsible for technical planning, execution, and vetting of the aerodynamic characterization of the Ares I vehicle. An aerodynamics team supporting the Panel consists of wind tunnel engineers, computational engineers, database engineers, and other analysts that address topics such as uncertainty quantification. The team resides at three NASA centers: Langley Research Center, Marshall Space Flight Center, and Ames Research Center. The Panel has developed strategies to synergistically combine both the wind tunnel efforts and the computational efforts with the goal of validating the computations. Selected examples highlight key flow physics and, where possible, the fidelity of the comparisons between wind tunnel results and the computations. Lessons learned summarize what has been gleaned during the project and can be useful for other vehicle development projects.

Towards topological quantum computer

NASA Astrophysics Data System (ADS)

Melnikov, D.; Mironov, A.; Mironov, S.; Morozov, A.; Morozov, An.

2018-01-01

Quantum R-matrices, the entangling deformations of non-entangling (classical) permutations, provide a distinguished basis in the space of unitary evolutions and, consequently, a natural choice for a minimal set of basic operations (universal gates) for quantum computation. Yet they play a special role in group theory, integrable systems and modern theory of non-perturbative calculations in quantum field and string theory. Despite recent developments in those fields the idea of topological quantum computing and use of R-matrices, in particular, practically reduce to reinterpretation of standard sets of quantum gates, and subsequently algorithms, in terms of available topological ones. In this paper we summarize a modern view on quantum R-matrix calculus and propose to look at the R-matrices acting in the space of irreducible representations, which are unitary for the real-valued couplings in Chern-Simons theory, as the fundamental set of universal gates for topological quantum computer. Such an approach calls for a more thorough investigation of the relation between topological invariants of knots and quantum algorithms.

Digital pathology in nephrology clinical trials, research, and pathology practice.

PubMed

Barisoni, Laura; Hodgin, Jeffrey B

2017-11-01

In this review, we will discuss (i) how the recent advancements in digital technology and computational engineering are currently applied to nephropathology in the setting of clinical research, trials, and practice; (ii) the benefits of the new digital environment; (iii) how recognizing its challenges provides opportunities for transformation; and (iv) nephropathology in the upcoming era of kidney precision and predictive medicine. Recent studies highlighted how new standardized protocols facilitate the harmonization of digital pathology database infrastructure and morphologic, morphometric, and computer-aided quantitative analyses. Digital pathology enables robust protocols for clinical trials and research, with the potential to identify previously underused or unrecognized clinically useful parameters. The integration of digital pathology with molecular signatures is leading the way to establishing clinically relevant morpho-omic taxonomies of renal diseases. The introduction of digital pathology in clinical research and trials, and the progressive implementation of the modern software ecosystem, opens opportunities for the development of new predictive diagnostic paradigms and computer-aided algorithms, transforming the practice of renal disease into a modern computational science.

Using the Eclipse Parallel Tools Platform to Assist Earth Science Model Development and Optimization on High Performance Computers

NASA Astrophysics Data System (ADS)

Alameda, J. C.

2011-12-01

Development and optimization of computational science models, particularly on high performance computers, and with the advent of ubiquitous multicore processor systems, practically on every system, has been accomplished with basic software tools, typically, command-line based compilers, debuggers, performance tools that have not changed substantially from the days of serial and early vector computers. However, model complexity, including the complexity added by modern message passing libraries such as MPI, and the need for hybrid code models (such as openMP and MPI) to be able to take full advantage of high performance computers with an increasing core count per shared memory node, has made development and optimization of such codes an increasingly arduous task. Additional architectural developments, such as many-core processors, only complicate the situation further. In this paper, we describe how our NSF-funded project, "SI2-SSI: A Productive and Accessible Development Workbench for HPC Applications Using the Eclipse Parallel Tools Platform" (WHPC) seeks to improve the Eclipse Parallel Tools Platform, an environment designed to support scientific code development targeted at a diverse set of high performance computing systems. Our WHPC project to improve Eclipse PTP takes an application-centric view to improve PTP. We are using a set of scientific applications, each with a variety of challenges, and using PTP to drive further improvements to both the scientific application, as well as to understand shortcomings in Eclipse PTP from an application developer perspective, to drive our list of improvements we seek to make. We are also partnering with performance tool providers, to drive higher quality performance tool integration. We have partnered with the Cactus group at Louisiana State University to improve Eclipse's ability to work with computational frameworks and extremely complex build systems, as well as to develop educational materials to incorporate into computational science and engineering codes. Finally, we are partnering with the lead PTP developers at IBM, to ensure we are as effective as possible within the Eclipse community development. We are also conducting training and outreach to our user community, including conference BOF sessions, monthly user calls, and an annual user meeting, so that we can best inform the improvements we make to Eclipse PTP. With these activities we endeavor to encourage use of modern software engineering practices, as enabled through the Eclipse IDE, with computational science and engineering applications. These practices include proper use of source code repositories, tracking and rectifying issues, measuring and monitoring code performance changes against both optimizations as well as ever-changing software stacks and configurations on HPC systems, as well as ultimately encouraging development and maintenance of testing suites -- things that have become commonplace in many software endeavors, but have lagged in the development of science applications. We view that the challenge with the increased complexity of both HPC systems and science applications demands the use of better software engineering methods, preferably enabled by modern tools such as Eclipse PTP, to help the computational science community thrive as we evolve the HPC landscape.

The Humanistic Duo: The Park/Recreation Professional and the Computer. (Computer-Can I Use It?).

ERIC Educational Resources Information Center

Weiner, Myron E.

This paper states that there are two fundamental reasons for the comparative absence of computer use for parks and recreation at the present time. These are (1) lack of clear cut cost justification and (2) reluctance on the part of recreation professionals to accept their role as managers and, consequently, to utilize modern management tools. The…

Towards a Versatile Tele-Education Platform for Computer Science Educators Based on the Greek School Network

ERIC Educational Resources Information Center

Paraskevas, Michael; Zarouchas, Thomas; Angelopoulos, Panagiotis; Perikos, Isidoros

2013-01-01

Now days the growing need for highly qualified computer science educators in modern educational environments is commonplace. This study examines the potential use of Greek School Network (GSN) to provide a robust and comprehensive e-training course for computer science educators in order to efficiently exploit advanced IT services and establish a…

Performance of High-Reliability Space-Qualified Processors Implementing Software Defined Radios

DTIC Science & Technology

2014-03-01

ADDRESS(ES) AND ADDRESS(ES) Naval Postgraduate School, Department of Electrical and Computer Engineering, 833 Dyer Road, Monterey, CA 93943-5121 8...Chairman Jeffrey D. Paduan Electrical and Computer Engineering Dean of Research iii THIS PAGE...capability. Radiation in space poses a considerable threat to modern microelectronic devices, in particular to the high-performance low-cost computing

Virtual memory

NASA Technical Reports Server (NTRS)

Denning, P. J.

1986-01-01

Virtual memory was conceived as a way to automate overlaying of program segments. Modern computers have very large main memories, but need automatic solutions to the relocation and protection problems. Virtual memory serves this need as well and is thus useful in computers of all sizes. The history of the idea is traced, showing how it has become a widespread, little noticed feature of computers today.

Biological and Environmental Research Exascale Requirements Review. An Office of Science review sponsored jointly by Advanced Scientific Computing Research and Biological and Environmental Research, March 28-31, 2016, Rockville, Maryland

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

Arkin, Adam; Bader, David C.; Coffey, Richard

Understanding the fundamentals of genomic systems or the processes governing impactful weather patterns are examples of the types of simulation and modeling performed on the most advanced computing resources in America. High-performance computing and computational science together provide a necessary platform for the mission science conducted by the Biological and Environmental Research (BER) office at the U.S. Department of Energy (DOE). This report reviews BER’s computing needs and their importance for solving some of the toughest problems in BER’s portfolio. BER’s impact on science has been transformative. Mapping the human genome, including the U.S.-supported international Human Genome Project that DOEmore » began in 1987, initiated the era of modern biotechnology and genomics-based systems biology. And since the 1950s, BER has been a core contributor to atmospheric, environmental, and climate science research, beginning with atmospheric circulation studies that were the forerunners of modern Earth system models (ESMs) and by pioneering the implementation of climate codes onto high-performance computers. See http://exascaleage.org/ber/ for more information.« less

Peer-to-peer Monte Carlo simulation of photon migration in topical applications of biomedical optics

NASA Astrophysics Data System (ADS)

Doronin, Alexander; Meglinski, Igor

2012-09-01

In the framework of further development of the unified approach of photon migration in complex turbid media, such as biological tissues we present a peer-to-peer (P2P) Monte Carlo (MC) code. The object-oriented programming is used for generalization of MC model for multipurpose use in various applications of biomedical optics. The online user interface providing multiuser access is developed using modern web technologies, such as Microsoft Silverlight, ASP.NET. The emerging P2P network utilizing computers with different types of compute unified device architecture-capable graphics processing units (GPUs) is applied for acceleration and to overcome the limitations, imposed by multiuser access in the online MC computational tool. The developed P2P MC was validated by comparing the results of simulation of diffuse reflectance and fluence rate distribution for semi-infinite scattering medium with known analytical results, results of adding-doubling method, and with other GPU-based MC techniques developed in the past. The best speedup of processing multiuser requests in a range of 4 to 35 s was achieved using single-precision computing, and the double-precision computing for floating-point arithmetic operations provides higher accuracy.

Peer-to-peer Monte Carlo simulation of photon migration in topical applications of biomedical optics.

PubMed

Doronin, Alexander; Meglinski, Igor

2012-09-01

In the framework of further development of the unified approach of photon migration in complex turbid media, such as biological tissues we present a peer-to-peer (P2P) Monte Carlo (MC) code. The object-oriented programming is used for generalization of MC model for multipurpose use in various applications of biomedical optics. The online user interface providing multiuser access is developed using modern web technologies, such as Microsoft Silverlight, ASP.NET. The emerging P2P network utilizing computers with different types of compute unified device architecture-capable graphics processing units (GPUs) is applied for acceleration and to overcome the limitations, imposed by multiuser access in the online MC computational tool. The developed P2P MC was validated by comparing the results of simulation of diffuse reflectance and fluence rate distribution for semi-infinite scattering medium with known analytical results, results of adding-doubling method, and with other GPU-based MC techniques developed in the past. The best speedup of processing multiuser requests in a range of 4 to 35 s was achieved using single-precision computing, and the double-precision computing for floating-point arithmetic operations provides higher accuracy.

The application of virtual reality systems as a support of digital manufacturing and logistics

NASA Astrophysics Data System (ADS)

Golda, G.; Kampa, A.; Paprocka, I.

2016-08-01

Modern trends in development of computer aided techniques are heading toward the integration of design competitive products and so-called "digital manufacturing and logistics", supported by computer simulation software. All phases of product lifecycle: starting from design of a new product, through planning and control of manufacturing, assembly, internal logistics and repairs, quality control, distribution to customers and after-sale service, up to its recycling or utilization should be aided and managed by advanced packages of product lifecycle management software. Important problems for providing the efficient flow of materials in supply chain management of whole product lifecycle, using computer simulation will be described on that paper. Authors will pay attention to the processes of acquiring relevant information and correct data, necessary for virtual modeling and computer simulation of integrated manufacturing and logistics systems. The article describes possibilities of use an applications of virtual reality software for modeling and simulation the production and logistics processes in enterprise in different aspects of product lifecycle management. The authors demonstrate effective method of creating computer simulations for digital manufacturing and logistics and show modeled and programmed examples and solutions. They pay attention to development trends and show options of the applications that go beyond enterprise.

CompNanoTox2015: novel perspectives from a European conference on computational nanotoxicology on predictive nanotoxicology.

PubMed

Bañares, Miguel A; Haase, Andrea; Tran, Lang; Lobaskin, Vladimir; Oberdörster, Günter; Rallo, Robert; Leszczynski, Jerzy; Hoet, Peter; Korenstein, Rafi; Hardy, Barry; Puzyn, Tomasz

2017-09-01

A first European Conference on Computational Nanotoxicology, CompNanoTox, was held in November 2015 in Benahavís, Spain with the objectives to disseminate and integrate results from the European modeling and database projects (NanoPUZZLES, ModENPTox, PreNanoTox, MembraneNanoPart, MODERN, eNanoMapper and EU COST TD1204 MODENA) as well as to create synergies within the European NanoSafety Cluster. This conference was supported by the COST Action TD1204 MODENA on developing computational methods for toxicological risk assessment of engineered nanoparticles and provided a unique opportunity for cross fertilization among complementary disciplines. The efforts to develop and validate computational models crucially depend on high quality experimental data and relevant assays which will be the basis to identify relevant descriptors. The ambitious overarching goal of this conference was to promote predictive nanotoxicology, which can only be achieved by a close collaboration between the computational scientists (e.g. database experts, modeling experts for structure, (eco) toxicological effects, performance and interaction of nanomaterials) and experimentalists from different areas (in particular toxicologists, biologists, chemists and material scientists, among others). The main outcome and new perspectives of this conference are summarized here.

CompNanoTox2015: novel perspectives from a European conference on computational nanotoxicology on predictive nanotoxicology

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

Bañares, Miguel A.; Haase, Andrea; Tran, Lang

A first European Conference on Computational Nanotoxicology, CompNanoTox, was held in November 2015 in Benahavís, Spain with the objectives to disseminate and integrate results from the European modeling and database projects (NanoPUZZLES, ModENPTox, PreNanoTox, MembraneNanoPart, MODERN, eNanoMapper and EU COST TD1204 MODENA) as well as to create synergies within the European NanoSafety Cluster. This conference was supported by the COST Action TD1204 MODENA on developing computational methods for toxicological risk assessment of engineered nanoparticles and provided a unique opportunity for crossfertilization among complementary disciplines. The efforts to develop and validate computational models crucially depend on high quality experimental data andmore » relevant assays which will be the basis to identify relevant descriptors. The ambitious overarching goal of this conference was to promote predictive nanotoxicology, which can only be achieved by a close collaboration between the computational scientists (e.g. database experts, modeling experts for structure, (eco) toxicological effects, performance and interaction of nanomaterials) and experimentalists from different areas (in particular toxicologists, biologists, chemists and material scientists, among others). The main outcome and new perspectives of this conference are summarized here.« less

Fast neuromimetic object recognition using FPGA outperforms GPU implementations.

PubMed

Orchard, Garrick; Martin, Jacob G; Vogelstein, R Jacob; Etienne-Cummings, Ralph

2013-08-01

Recognition of objects in still images has traditionally been regarded as a difficult computational problem. Although modern automated methods for visual object recognition have achieved steadily increasing recognition accuracy, even the most advanced computational vision approaches are unable to obtain performance equal to that of humans. This has led to the creation of many biologically inspired models of visual object recognition, among them the hierarchical model and X (HMAX) model. HMAX is traditionally known to achieve high accuracy in visual object recognition tasks at the expense of significant computational complexity. Increasing complexity, in turn, increases computation time, reducing the number of images that can be processed per unit time. In this paper we describe how the computationally intensive and biologically inspired HMAX model for visual object recognition can be modified for implementation on a commercial field-programmable aate Array, specifically the Xilinx Virtex 6 ML605 evaluation board with XC6VLX240T FPGA. We show that with minor modifications to the traditional HMAX model we can perform recognition on images of size 128 × 128 pixels at a rate of 190 images per second with a less than 1% loss in recognition accuracy in both binary and multiclass visual object recognition tasks.

Bayesian data analysis in population ecology: motivations, methods, and benefits

USGS Publications Warehouse

Dorazio, Robert

2016-01-01

During the 20th century ecologists largely relied on the frequentist system of inference for the analysis of their data. However, in the past few decades ecologists have become increasingly interested in the use of Bayesian methods of data analysis. In this article I provide guidance to ecologists who would like to decide whether Bayesian methods can be used to improve their conclusions and predictions. I begin by providing a concise summary of Bayesian methods of analysis, including a comparison of differences between Bayesian and frequentist approaches to inference when using hierarchical models. Next I provide a list of problems where Bayesian methods of analysis may arguably be preferred over frequentist methods. These problems are usually encountered in analyses based on hierarchical models of data. I describe the essentials required for applying modern methods of Bayesian computation, and I use real-world examples to illustrate these methods. I conclude by summarizing what I perceive to be the main strengths and weaknesses of using Bayesian methods to solve ecological inference problems.

How accurately does high tibial osteotomy correct the mechanical axis of an arthritic varus knee? A systematic review.

PubMed

Van den Bempt, Maxim; Van Genechten, Wouter; Claes, Toon; Claes, Steven

2016-12-01

The aim of this study was to give an overview of the accuracy of coronal limb alignment correction after high tibial osteotomy (HTO) for the arthritic varus knee by performing a systematic review of the literature. The databases PubMed, MEDLINE and Cochrane Library were screened for relevant articles. Only prospective clinical studies with the accuracy of alignment correction by performing HTO as primary or secondary objective were included. Fifteen studies were included in this systematic review and were subdivided in 23 cohorts. A total of 966 procedures were considered. Nine cohorts used computer navigation during HTO and the other 14 cohorts used a conventional method. In seven computer navigation cohorts, at least 75% of the study population fell into the accepted "range of accuracy" (AR) as proposed by the different studies, but only six out of 14 conventional cohorts reached this percentage. Four out of eight conventional cohorts that provided data on under- and overcorrection, had a tendency to undercorrection. The accuracy of coronal alignment corrections using conventional HTO falls short. The number of procedures outside the proposed AR is surprising and exposes a critical concern for modern HTO. Computer navigation might improve the accuracy of correction, but its use is not widespread among orthopedic surgeons. Although HTO procedures have been shown to be successful in the treatment of unicompartmental knee arthritis when performed accurately, the results of this review stress the importance of ongoing efforts in order to improve correction accuracy in modern HTO. Copyright © 2016 Elsevier B.V. All rights reserved.

Computing the qg → qg cross section using the BCFW recursion and introduction to jet tomography in heavy ion collisions via MHV techniques

NASA Astrophysics Data System (ADS)

Rabemananajara, Tanjona R.; Horowitz, W. A.

2017-09-01

To make predictions for the particle physics processes, one has to compute the cross section of the specific process as this is what one can measure in a modern collider experiment such as the Large Hadron Collider (LHC) at CERN. Theoretically, it has been proven to be extremely difficult to compute scattering amplitudes using conventional methods of Feynman. Calculations with Feynman diagrams are realizations of a perturbative expansion and when doing calculations one has to set up all topologically different diagrams, for a given process up to a given order of coupling in the theory. This quickly makes the calculation of scattering amplitudes a hot mess. Fortunately, one can simplify calculations by considering the helicity amplitude for the Maximally Helicity Violating (MHV). This can be extended to the formalism of on-shell recursion, which is able to derive, in a much simpler way the expression of a high order scattering amplitude from lower orders.

SIMD Optimization of Linear Expressions for Programmable Graphics Hardware

PubMed Central

Bajaj, Chandrajit; Ihm, Insung; Min, Jungki; Oh, Jinsang

2009-01-01

The increased programmability of graphics hardware allows efficient graphical processing unit (GPU) implementations of a wide range of general computations on commodity PCs. An important factor in such implementations is how to fully exploit the SIMD computing capacities offered by modern graphics processors. Linear expressions in the form of ȳ = Ax̄ + b̄, where A is a matrix, and x̄, ȳ and b̄ are vectors, constitute one of the most basic operations in many scientific computations. In this paper, we propose a SIMD code optimization technique that enables efficient shader codes to be generated for evaluating linear expressions. It is shown that performance can be improved considerably by efficiently packing arithmetic operations into four-wide SIMD instructions through reordering of the operations in linear expressions. We demonstrate that the presented technique can be used effectively for programming both vertex and pixel shaders for a variety of mathematical applications, including integrating differential equations and solving a sparse linear system of equations using iterative methods. PMID:19946569

Thermal Hydraulics Design and Analysis Methodology for a Solid-Core Nuclear Thermal Rocket Engine Thrust Chamber

NASA Technical Reports Server (NTRS)

Wang, Ten-See; Canabal, Francisco; Chen, Yen-Sen; Cheng, Gary; Ito, Yasushi

2013-01-01

Nuclear thermal propulsion is a leading candidate for in-space propulsion for human Mars missions. This chapter describes a thermal hydraulics design and analysis methodology developed at the NASA Marshall Space Flight Center, in support of the nuclear thermal propulsion development effort. The objective of this campaign is to bridge the design methods in the Rover/NERVA era, with a modern computational fluid dynamics and heat transfer methodology, to predict thermal, fluid, and hydrogen environments of a hypothetical solid-core, nuclear thermal engine the Small Engine, designed in the 1960s. The computational methodology is based on an unstructured-grid, pressure-based, all speeds, chemically reacting, computational fluid dynamics and heat transfer platform, while formulations of flow and heat transfer through porous and solid media were implemented to describe those of hydrogen flow channels inside the solid24 core. Design analyses of a single flow element and the entire solid-core thrust chamber of the Small Engine were performed and the results are presented herein

Barrierless association of CF2 and dissociation of C2F4 by variational transition-state theory and system-specific quantum Rice–Ramsperger–Kassel theory

PubMed Central

Bao, Junwei Lucas; Zhang, Xin

2016-01-01

Bond dissociation is a fundamental chemical reaction, and the first principles modeling of the kinetics of dissociation reactions with a monotonically increasing potential energy along the dissociation coordinate presents a challenge not only for modern electronic structure methods but also for kinetics theory. In this work, we use multifaceted variable-reaction-coordinate variational transition-state theory (VRC-VTST) to compute the high-pressure limit dissociation rate constant of tetrafluoroethylene (C2F4), in which the potential energies are computed by direct dynamics with the M08-HX exchange correlation functional. To treat the pressure dependence of the unimolecular rate constants, we use the recently developed system-specific quantum Rice–Ramsperger–Kassel theory. The calculations are carried out by direct dynamics using an exchange correlation functional validated against calculations that go beyond coupled-cluster theory with single, double, and triple excitations. Our computed dissociation rate constants agree well with the recent experimental measurements. PMID:27834727

Barrierless association of CF2 and dissociation of C2F4 by variational transition-state theory and system-specific quantum Rice-Ramsperger-Kassel theory.

PubMed

Bao, Junwei Lucas; Zhang, Xin; Truhlar, Donald G

2016-11-29

Bond dissociation is a fundamental chemical reaction, and the first principles modeling of the kinetics of dissociation reactions with a monotonically increasing potential energy along the dissociation coordinate presents a challenge not only for modern electronic structure methods but also for kinetics theory. In this work, we use multifaceted variable-reaction-coordinate variational transition-state theory (VRC-VTST) to compute the high-pressure limit dissociation rate constant of tetrafluoroethylene (C 2 F 4 ), in which the potential energies are computed by direct dynamics with the M08-HX exchange correlation functional. To treat the pressure dependence of the unimolecular rate constants, we use the recently developed system-specific quantum Rice-Ramsperger-Kassel theory. The calculations are carried out by direct dynamics using an exchange correlation functional validated against calculations that go beyond coupled-cluster theory with single, double, and triple excitations. Our computed dissociation rate constants agree well with the recent experimental measurements.

StarTrax --- The Next Generation User Interface

NASA Astrophysics Data System (ADS)

Richmond, Alan; White, Nick

StarTrax is a software package to be distributed to end users for installation on their local computing infrastructure. It will provide access to many services of the HEASARC, i.e. bulletins, catalogs, proposal and analysis tools, initially for the ROSAT MIPS (Mission Information and Planning System), later for the Next Generation Browse. A user activating the GUI will reach all HEASARC capabilities through a uniform view of the system, independent of the local computing environment and of the networking method of accessing StarTrax. Use it if you prefer the point-and-click metaphor of modern GUI technology, to the classical command-line interfaces (CLI). Notable strengths include: easy to use; excellent portability; very robust server support; feedback button on every dialog; painstakingly crafted User Guide. It is designed to support a large number of input devices including terminals, workstations and personal computers. XVT's Portability Toolkit is used to build the GUI in C/C++ to run on: OSF/Motif (UNIX or VMS), OPEN LOOK (UNIX), or Macintosh, or MS-Windows (DOS), or character systems.

Evaluation of protective shielding thickness for diagnostic radiology rooms: theory and computer simulation.

PubMed

Costa, Paulo R; Caldas, Linda V E

2002-01-01

This work presents the development and evaluation using modern techniques to calculate radiation protection barriers in clinical radiographic facilities. Our methodology uses realistic primary and scattered spectra. The primary spectra were computer simulated using a waveform generalization and a semiempirical model (the Tucker-Barnes-Chakraborty model). The scattered spectra were obtained from published data. An analytical function was used to produce attenuation curves from polychromatic radiation for specified kVp, waveform, and filtration. The results of this analytical function are given in ambient dose equivalent units. The attenuation curves were obtained by application of Archer's model to computer simulation data. The parameters for the best fit to the model using primary and secondary radiation data from different radiographic procedures were determined. They resulted in an optimized model for shielding calculation for any radiographic room. The shielding costs were about 50% lower than those calculated using the traditional method based on Report No. 49 of the National Council on Radiation Protection and Measurements.

Role of HPC in Advancing Computational Aeroelasticity

NASA Technical Reports Server (NTRS)

Guruswamy, Guru P.

2004-01-01

On behalf of the High Performance Computing and Modernization Program (HPCMP) and NASA Advanced Supercomputing Division (NAS) a study is conducted to assess the role of supercomputers on computational aeroelasticity of aerospace vehicles. The study is mostly based on the responses to a web based questionnaire that was designed to capture the nuances of high performance computational aeroelasticity, particularly on parallel computers. A procedure is presented to assign a fidelity-complexity index to each application. Case studies based on major applications using HPCMP resources are presented.

A modern approach to storing of 3D geometry of objects in machine engineering industry

NASA Astrophysics Data System (ADS)

Sokolova, E. A.; Aslanov, G. A.; Sokolov, A. A.

2017-02-01

3D graphics is a kind of computer graphics which has absorbed a lot from the vector and raster computer graphics. It is used in interior design projects, architectural projects, advertising, while creating educational computer programs, movies, visual images of parts and products in engineering, etc. 3D computer graphics allows one to create 3D scenes along with simulation of light conditions and setting up standpoints.

Fluid/Structure Interaction Studies of Aircraft Using High Fidelity Equations on Parallel Computers

NASA Technical Reports Server (NTRS)

Guruswamy, Guru; VanDalsem, William (Technical Monitor)

1994-01-01

Abstract Aeroelasticity which involves strong coupling of fluids, structures and controls is an important element in designing an aircraft. Computational aeroelasticity using low fidelity methods such as the linear aerodynamic flow equations coupled with the modal structural equations are well advanced. Though these low fidelity approaches are computationally less intensive, they are not adequate for the analysis of modern aircraft such as High Speed Civil Transport (HSCT) and Advanced Subsonic Transport (AST) which can experience complex flow/structure interactions. HSCT can experience vortex induced aeroelastic oscillations whereas AST can experience transonic buffet associated structural oscillations. Both aircraft may experience a dip in the flutter speed at the transonic regime. For accurate aeroelastic computations at these complex fluid/structure interaction situations, high fidelity equations such as the Navier-Stokes for fluids and the finite-elements for structures are needed. Computations using these high fidelity equations require large computational resources both in memory and speed. Current conventional super computers have reached their limitations both in memory and speed. As a result, parallel computers have evolved to overcome the limitations of conventional computers. This paper will address the transition that is taking place in computational aeroelasticity from conventional computers to parallel computers. The paper will address special techniques needed to take advantage of the architecture of new parallel computers. Results will be illustrated from computations made on iPSC/860 and IBM SP2 computer by using ENSAERO code that directly couples the Euler/Navier-Stokes flow equations with high resolution finite-element structural equations.

Determinants of modern family planning use among women of reproductive age in the Nkwanta district of Ghana: a case-control study.

PubMed

Eliason, Sebastian; Awoonor-Williams, John K; Eliason, Cecilia; Novignon, Jacob; Nonvignon, Justice; Aikins, Moses

2014-08-13

Average contraceptive prevalence rate in the Nkwanta district of Ghana was estimated to be 6.2% relative to the national average at the time, of 19%. While several efforts had been made to improve family planning in the country, the district still had very low use of modern family planning methods. This study sought to determine the factors that influenced modern family planning use in general and specifically, the factors that determined the consistently low use of modern family planning methods in the district. A case-control study was conducted in the Nkwanta district of Ghana to determine socio-economic, socio-cultural and service delivery factors influencing family planning usage. One hundred and thirty cases and 260 controls made up of women aged 15-49 years were interviewed using structured questionnaires. A logistic regression was fitted. Awareness and knowledge of modern family planning methods were high among cases and controls (over 90%). Lack of formal education among women, socio-cultural beliefs and spousal communication were found to influence modern family planning use. Furthermore, favourable opening hours of the facilities and distance to health facilities influenced the use of modern contraceptives. While modern family planning seemed to be common knowledge among these women, actual use of such contraceptives was limited. There is need to improve use of modern family planning methods in the district. In addition to providing health facilities and consolidating close-to-client service initiatives in the district, policies directed towards improving modern family planning method use need to consider the influence of formal education. Promoting basic education, especially among females, will be a crucial step as the district is faced with high levels of school dropout and illiteracy rates.

Modern contraceptive utilization and associated factors among married pastoralist women in Bale eco-region, Bale Zone, South East Ethiopia.

PubMed

Belda, Semere Sileshi; Haile, Mekonnen Tegegne; Melku, Abulie Takele; Tololu, Abdurehaman Kalu

2017-03-14

Women who live in remote rural areas encounter different challenges against contraception and often deny the use of modern contraceptive methods. The predictors of modern contraceptive utilization by pastoralist women in the Bale eco-region could be specific and are not well known. Therefore, this study aims to assess modern contraceptive utilization and its determinants among married pastoralist women in Bale eco-region, Oromia regional state, South East Ethiopia. A community-based cross-sectional study was conducted from 20th November 2015 to 30th February 2016. A structured questionnaire was used to interview 549 married pastoralist women who were selected by multistage sampling technique. The data were analyzed by SPSS - 21 software, multivariate logistic regression analysis was used to identify predictors of modern contraceptive use at (P-value <0.05), and odds ratios with 95% confidence interval were used to assess the strength of associations between variables. The current modern contraceptive method use by married pastoralist women was (20.8%). Among the total users, (78.1%) use the injectable method. The common reasons for non-use of modern contraceptive methods includes: religious-opposition (55.9%), desire for more children (28.3%), fear of side effects (25.5%), and husband's opposition (17.5%). Couple discussion (AOR = 4.63, 95%CI: 2.15, 9.98), perceived husband's approval (AOR = 8.00, 95% CI: 3.52, 18.19), discussion with health extension worker (AOR = 5.99, 95% CI: 1.81, 19.85), and perceived cultural acceptability (AOR = 2.10, 95% CI: 1.09, 4.03) were the independent predictors of modern contraceptive use by married pastoralist women in Bale eco-region. The study identified lower modern contraceptive method utilization by pastoralist women, and the majority of the contraceptive users rely on short- acting contraceptive methods. The uncomplimentary perceptions towards religious and cultural acceptability of modern contraceptive method were among the major reasons for lesser utilization of the methods. Family planning programs should be tailored to actively involve pastoralist women, husbands, and religious leaders in pastoralist communities.

Data file, Continental Margin Program, Atlantic Coast of the United States: vol. 2 sample collection and analytical data

USGS Publications Warehouse

Hathaway, John C.

1971-01-01

The purpose of the data file presented below is twofold: the first purpose is to make available in printed form the basic data relating to the samples collected as part of the joint U.S. Geological Survey - Woods Hole Oceanographic Institution program of study of the Atlantic continental margin of the United States; the second purpose is to maintain these data in a form that is easily retrievable by modern computer methods. With the data in such form, repeate manual transcription for statistical or similar mathematical treatment becomes unnecessary. Manual plotting of information or derivatives from the information may also be eliminated. Not only is handling of data by the computer considerably faster than manual techniques, but a fruitful source of errors, transcription mistakes, is eliminated.

The Nash Equilibrium Revisited: Chaos and Complexity Hidden in Simplicity

NASA Astrophysics Data System (ADS)

Fellman, Philip V.

The Nash Equilibrium is a much discussed, deceptively complex, method for the analysis of non-cooperative games (McLennan and Berg, 2005). If one reads many of the commonly available definitions the description of the Nash Equilibrium is deceptively simple in appearance. Modern research has discovered a number of new and important complex properties of the Nash Equilibrium, some of which remain as contemporary conundrums of extraordinary difficulty and complexity (Quint and Shubik, 1997). Among the recently discovered features which the Nash Equilibrium exhibits under various conditions are heteroclinic Hamiltonian dynamics, a very complex asymptotic structure in the context of two-player bi-matrix games and a number of computationally complex or computationally intractable features in other settings (Sato, Akiyama and Farmer, 2002). This paper reviews those findings and then suggests how they may inform various market prediction strategies.

A semi-implicit finite difference model for three-dimensional tidal circulation,

USGS Publications Warehouse

Casulli, V.; Cheng, R.T.

1992-01-01

A semi-implicit finite difference formulation for the numerical solution of three-dimensional tidal circulation is presented. The governing equations are the three-dimensional Reynolds equations in which the pressure is assumed to be hydrostatic. A minimal degree of implicitness has been introduced in the finite difference formula so that in the absence of horizontal viscosity the resulting algorithm is unconditionally stable at a minimal computational cost. When only one vertical layer is specified this method reduces, as a particular case, to a semi-implicit scheme for the solutions of the corresponding two-dimensional shallow water equations. The resulting two- and three-dimensional algorithm is fast, accurate and mass conservative. This formulation includes the simulation of flooding and drying of tidal flats, and is fully vectorizable for an efficient implementation on modern vector computers.

Explicit integration with GPU acceleration for large kinetic networks

DOE PAGES

Brock, Benjamin; Belt, Andrew; Billings, Jay Jay; ...

2015-09-15

In this study, we demonstrate the first implementation of recently-developed fast explicit kinetic integration algorithms on modern graphics processing unit (GPU) accelerators. Taking as a generic test case a Type Ia supernova explosion with an extremely stiff thermonuclear network having 150 isotopic species and 1604 reactions coupled to hydrodynamics using operator splitting, we demonstrate the capability to solve of order 100 realistic kinetic networks in parallel in the same time that standard implicit methods can solve a single such network on a CPU. In addition, this orders-of-magnitude decrease in computation time for solving systems of realistic kinetic networks implies thatmore » important coupled, multiphysics problems in various scientific and technical fields that were intractable, or could be simulated only with highly schematic kinetic networks, are now computationally feasible.« less

Principles of Experimental Design for Big Data Analysis.

PubMed

Drovandi, Christopher C; Holmes, Christopher; McGree, James M; Mengersen, Kerrie; Richardson, Sylvia; Ryan, Elizabeth G

2017-08-01

Big Datasets are endemic, but are often notoriously difficult to analyse because of their size, heterogeneity and quality. The purpose of this paper is to open a discourse on the potential for modern decision theoretic optimal experimental design methods, which by their very nature have traditionally been applied prospectively, to improve the analysis of Big Data through retrospective designed sampling in order to answer particular questions of interest. By appealing to a range of examples, it is suggested that this perspective on Big Data modelling and analysis has the potential for wide generality and advantageous inferential and computational properties. We highlight current hurdles and open research questions surrounding efficient computational optimisation in using retrospective designs, and in part this paper is a call to the optimisation and experimental design communities to work together in the field of Big Data analysis.

Recommendations for the standardization and interpretation of the electrocardiogram. Part I: The electrocardiogram and its technology. A scientific statement from the American Heart Association Electrocardiography and Arrhythmias Committee, Council on Clinical Cardiology; the American College of Cardiology Foundation; and the Heart Rhythm Society.

PubMed

Kligfield, Paul; Gettes, Leonard S; Bailey, James J; Childers, Rory; Deal, Barbara J; Hancock, E William; van Herpen, Gerard; Kors, Jan A; Macfarlane, Peter; Mirvis, David M; Pahlm, Olle; Rautaharju, Pentti; Wagner, Galen S

2007-03-01

This statement examines the relation of the resting ECG to its technology. Its purpose is to foster understanding of how the modern ECG is derived and displayed and to establish standards that will improve the accuracy and usefulness of the ECG in practice. Derivation of representative waveforms and measurements based on global intervals are described. Special emphasis is placed on digital signal acquisition and computer-based signal processing, which provide automated measurements that lead to computer-generated diagnostic statements. Lead placement, recording methods, and waveform presentation are reviewed. Throughout the statement, recommendations for ECG standards are placed in context of the clinical implications of evolving ECG technology.

Principles of Experimental Design for Big Data Analysis

PubMed Central

Drovandi, Christopher C; Holmes, Christopher; McGree, James M; Mengersen, Kerrie; Richardson, Sylvia; Ryan, Elizabeth G

2016-01-01

Big Datasets are endemic, but are often notoriously difficult to analyse because of their size, heterogeneity and quality. The purpose of this paper is to open a discourse on the potential for modern decision theoretic optimal experimental design methods, which by their very nature have traditionally been applied prospectively, to improve the analysis of Big Data through retrospective designed sampling in order to answer particular questions of interest. By appealing to a range of examples, it is suggested that this perspective on Big Data modelling and analysis has the potential for wide generality and advantageous inferential and computational properties. We highlight current hurdles and open research questions surrounding efficient computational optimisation in using retrospective designs, and in part this paper is a call to the optimisation and experimental design communities to work together in the field of Big Data analysis. PMID:28883686