An Assessment of Artificial Compressibility and Pressure Projection Methods for Incompressible Flow Simulations

NASA Technical Reports Server (NTRS)

Kwak, Dochan; Kiris, C.; Smith, Charles A. (Technical Monitor)

1998-01-01

Performance of the two commonly used numerical procedures, one based on artificial compressibility method and the other pressure projection method, are compared. These formulations are selected primarily because they are designed for three-dimensional applications. The computational procedures are compared by obtaining steady state solutions of a wake vortex and unsteady solutions of a curved duct flow. For steady computations, artificial compressibility was very efficient in terms of computing time and robustness. For an unsteady flow which requires small physical time step, pressure projection method was found to be computationally more efficient than an artificial compressibility method. This comparison is intended to give some basis for selecting a method or a flow solution code for large three-dimensional applications where computing resources become a critical issue.

Ensuring the validity of calculated subcritical limits

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

Clark, H.K.

1977-01-01

The care taken at the Savannah River Laboratory and Plant to ensure the validity of calculated subcritical limits is described. Close attention is given to ANSI N16.1-1975, ''Validation of Calculational Methods for Nuclear Criticality Safety.'' The computer codes used for criticality safety computations, which are listed and are briefly described, have been placed in the SRL JOSHUA system to facilitate calculation and to reduce input errors. A driver module, KOKO, simplifies and standardizes input and links the codes together in various ways. For any criticality safety evaluation, correlations of the calculational methods are made with experiment to establish bias. Occasionallymore » subcritical experiments are performed expressly to provide benchmarks. Calculated subcritical limits contain an adequate but not excessive margin to allow for uncertainty in the bias. The final step in any criticality safety evaluation is the writing of a report describing the calculations and justifying the margin.« less

Implementation of a computer database testing and analysis program.

PubMed

Rouse, Deborah P

2007-01-01

The author is the coordinator of a computer software database testing and analysis program implemented in an associate degree nursing program. Computer software database programs help support the testing development and analysis process. Critical thinking is measurable and promoted with their use. The reader of this article will learn what is involved in procuring and implementing a computer database testing and analysis program in an academic nursing program. The use of the computerized database for testing and analysis will be approached as a method to promote and evaluate the nursing student's critical thinking skills and to prepare the nursing student for the National Council Licensure Examination.

A Robust Cooperated Control Method with Reinforcement Learning and Adaptive H∞ Control

NASA Astrophysics Data System (ADS)

Obayashi, Masanao; Uchiyama, Shogo; Kuremoto, Takashi; Kobayashi, Kunikazu

This study proposes a robust cooperated control method combining reinforcement learning with robust control to control the system. A remarkable characteristic of the reinforcement learning is that it doesn't require model formula, however, it doesn't guarantee the stability of the system. On the other hand, robust control system guarantees stability and robustness, however, it requires model formula. We employ both the actor-critic method which is a kind of reinforcement learning with minimal amount of computation to control continuous valued actions and the traditional robust control, that is, H∞ control. The proposed system was compared method with the conventional control method, that is, the actor-critic only used, through the computer simulation of controlling the angle and the position of a crane system, and the simulation result showed the effectiveness of the proposed method.

Statistical properties of the Jukes-Holmquist method of estimating the number of nucleotide substitutions: reply to Holmquist and Conroy's criticism.

PubMed

Nei, M; Tateno, Y

1981-01-01

Conducting computer simulations, Nei and Tateno (1978) have shown that Jukes and Holmquist's (1972) method of estimating the number of nucleotide substitutions tends to give an overestimate and the estimate obtained has a large variance. Holmquist and Conroy (1980) repeated some parts of our simulation and claim that the overestimation of nucleotide substitutions in our paper occurred mainly because we used selected data. Examination of Holmquist and Conroy's simulation indicates that their results are essentially the same as ours when the Jukes-Holmquist method is used, but since they used a different method of computation their estimates of nucleotide substitutions differed substantially from ours. Another problem in Holmquist and Conroy's Letter is that they confused the expected number of nucleotide substitution with the number in a sample. This confusion has resulted in a number of unnecessary arguments. They also criticized our X2 measure, but this criticism is apparently due to a misunderstanding of the assumptions of our method and a failure to use our method in the way we described. We believe that our earlier conclusions remain unchanged.

Probabilistic Structural Analysis Methods for select space propulsion system components (PSAM). Volume 2: Literature surveys of critical Space Shuttle main engine components

NASA Technical Reports Server (NTRS)

Rajagopal, K. R.

1992-01-01

The technical effort and computer code development is summarized. Several formulations for Probabilistic Finite Element Analysis (PFEA) are described with emphasis on the selected formulation. The strategies being implemented in the first-version computer code to perform linear, elastic PFEA is described. The results of a series of select Space Shuttle Main Engine (SSME) component surveys are presented. These results identify the critical components and provide the information necessary for probabilistic structural analysis. Volume 2 is a summary of critical SSME components.

FORTRAN 4 computer program for calculating critical speeds of rotating shafts

NASA Technical Reports Server (NTRS)

Trivisonno, R. J.

1973-01-01

A FORTRAN 4 computer program, written for the IBM DCS 7094/7044 computer, that calculates the critical speeds of rotating shafts is described. The shaft may include bearings, couplings, extra masses (nonshaft mass), and disks for the gyroscopic effect. Shear deflection is also taken into account, and provision is made in the program for sections of the shaft that are tapered. The boundary conditions at the ends of the shaft can be fixed (deflection and slope equal to zero) or free (shear and moment equal to zero). The fixed end condition enables the program to calculate the natural frequencies of cantilever beams. Instead of using the lumped-parameter method, the program uses continuous integration of the differential equations of beam flexure across different shaft sections. The advantages of this method over the usual lumped-parameter method are less data preparation and better approximation of the distribution of the mass of the shaft. A main feature of the program is the nature of the output. The Calcomp plotter is used to produce a drawing of the shaft with superimposed deflection curves at the critical speeds, together with all pertinent information related to the shaft.

Formal Methods for Life-Critical Software

NASA Technical Reports Server (NTRS)

Butler, Ricky W.; Johnson, Sally C.

1993-01-01

The use of computer software in life-critical applications, such as for civil air transports, demands the use of rigorous formal mathematical verification procedures. This paper demonstrates how to apply formal methods to the development and verification of software by leading the reader step-by-step through requirements analysis, design, implementation, and verification of an electronic phone book application. The current maturity and limitations of formal methods tools and techniques are then discussed, and a number of examples of the successful use of formal methods by industry are cited.

Computed tomography: Will the slices reveal the truth

PubMed Central

Haridas, Harish; Mohan, Abarajithan; Papisetti, Sravanthi; Ealla, Kranti K. R.

2016-01-01

With the advances in the field of imaging sciences, new methods have been developed in dental radiology. These include digital radiography, density analyzing methods, cone beam computed tomography (CBCT), magnetic resonance imaging, ultrasound, and nuclear imaging techniques, which provide high-resolution detailed images of oral structures. The current review aims to critically elaborate the use of CBCT in endodontics. PMID:27652253

Scientific computations section monthly report, November 1993

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

Buckner, M.R.

1993-12-30

This progress report from the Savannah River Technology Center contains abstracts from papers from the computational modeling, applied statistics, applied physics, experimental thermal hydraulics, and packaging and transportation groups. Specific topics covered include: engineering modeling and process simulation, criticality methods and analysis, plutonium disposition.

Current status of computational methods for transonic unsteady aerodynamics and aeroelastic applications

NASA Technical Reports Server (NTRS)

Edwards, John W.; Malone, John B.

1992-01-01

The current status of computational methods for unsteady aerodynamics and aeroelasticity is reviewed. The key features of challenging aeroelastic applications are discussed in terms of the flowfield state: low-angle high speed flows and high-angle vortex-dominated flows. The critical role played by viscous effects in determining aeroelastic stability for conditions of incipient flow separation is stressed. The need for a variety of flow modeling tools, from linear formulations to implementations of the Navier-Stokes equations, is emphasized. Estimates of computer run times for flutter calculations using several computational methods are given. Applications of these methods for unsteady aerodynamic and transonic flutter calculations for airfoils, wings, and configurations are summarized. Finally, recommendations are made concerning future research directions.

XPRESS: eXascale PRogramming Environment and System Software

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

Brightwell, Ron; Sterling, Thomas; Koniges, Alice

The XPRESS Project is one of four major projects of the DOE Office of Science Advanced Scientific Computing Research X-stack Program initiated in September, 2012. The purpose of XPRESS is to devise an innovative system software stack to enable practical and useful exascale computing around the end of the decade with near-term contributions to efficient and scalable operation of trans-Petaflops performance systems in the next two to three years; both for DOE mission-critical applications. To this end, XPRESS directly addresses critical challenges in computing of efficiency, scalability, and programmability through introspective methods of dynamic adaptive resource management and task scheduling.

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.

A DAG Scheduling Scheme on Heterogeneous Computing Systems Using Tuple-Based Chemical Reaction Optimization

PubMed Central

Jiang, Yuyi; Shao, Zhiqing; Guo, Yi

2014-01-01

A complex computing problem can be solved efficiently on a system with multiple computing nodes by dividing its implementation code into several parallel processing modules or tasks that can be formulated as directed acyclic graph (DAG) problems. The DAG jobs may be mapped to and scheduled on the computing nodes to minimize the total execution time. Searching an optimal DAG scheduling solution is considered to be NP-complete. This paper proposed a tuple molecular structure-based chemical reaction optimization (TMSCRO) method for DAG scheduling on heterogeneous computing systems, based on a very recently proposed metaheuristic method, chemical reaction optimization (CRO). Comparing with other CRO-based algorithms for DAG scheduling, the design of tuple reaction molecular structure and four elementary reaction operators of TMSCRO is more reasonable. TMSCRO also applies the concept of constrained critical paths (CCPs), constrained-critical-path directed acyclic graph (CCPDAG) and super molecule for accelerating convergence. In this paper, we have also conducted simulation experiments to verify the effectiveness and efficiency of TMSCRO upon a large set of randomly generated graphs and the graphs for real world problems. PMID:25143977

A DAG scheduling scheme on heterogeneous computing systems using tuple-based chemical reaction optimization.

PubMed

Jiang, Yuyi; Shao, Zhiqing; Guo, Yi

2014-01-01

A complex computing problem can be solved efficiently on a system with multiple computing nodes by dividing its implementation code into several parallel processing modules or tasks that can be formulated as directed acyclic graph (DAG) problems. The DAG jobs may be mapped to and scheduled on the computing nodes to minimize the total execution time. Searching an optimal DAG scheduling solution is considered to be NP-complete. This paper proposed a tuple molecular structure-based chemical reaction optimization (TMSCRO) method for DAG scheduling on heterogeneous computing systems, based on a very recently proposed metaheuristic method, chemical reaction optimization (CRO). Comparing with other CRO-based algorithms for DAG scheduling, the design of tuple reaction molecular structure and four elementary reaction operators of TMSCRO is more reasonable. TMSCRO also applies the concept of constrained critical paths (CCPs), constrained-critical-path directed acyclic graph (CCPDAG) and super molecule for accelerating convergence. In this paper, we have also conducted simulation experiments to verify the effectiveness and efficiency of TMSCRO upon a large set of randomly generated graphs and the graphs for real world problems.

Aeroelasticity of wing and wing-body configurations on parallel computers

NASA Technical Reports Server (NTRS)

Byun, Chansup

1995-01-01

The objective of this research is to develop computationally efficient methods for solving aeroelasticity problems on parallel computers. Both uncoupled and coupled methods are studied in this research. For the uncoupled approach, the conventional U-g method is used to determine the flutter boundary. The generalized aerodynamic forces required are obtained by the pulse transfer-function analysis method. For the coupled approach, the fluid-structure interaction is obtained by directly coupling finite difference Euler/Navier-Stokes equations for fluids and finite element dynamics equations for structures. This capability will significantly impact many aerospace projects of national importance such as Advanced Subsonic Civil Transport (ASCT), where the structural stability margin becomes very critical at the transonic region. This research effort will have direct impact on the High Performance Computing and Communication (HPCC) Program of NASA in the area of parallel computing.

A curve fitting method for solving the flutter equation. M.S. Thesis

NASA Technical Reports Server (NTRS)

Cooper, J. L.

1972-01-01

A curve fitting approach was developed to solve the flutter equation for the critical flutter velocity. The psi versus nu curves are approximated by cubic and quadratic equations. The curve fitting technique utilized the first and second derivatives of psi with respect to nu. The method was tested for two structures, one structure being six times the total mass of the other structure. The algorithm never showed any tendency to diverge from the solution. The average time for the computation of a flutter velocity was 3.91 seconds on an IBM Model 50 computer for an accuracy of five per cent. For values of nu close to the critical root of the flutter equation the algorithm converged on the first attempt. The maximum number of iterations for convergence to the critical flutter velocity was five with an assumed value of nu relatively distant from the actual crossover.

NASA Langley Research and Technology-Transfer Program in Formal Methods

NASA Technical Reports Server (NTRS)

Butler, Ricky W.; Caldwell, James L.; Carreno, Victor A.; Holloway, C. Michael; Miner, Paul S.; DiVito, Ben L.

1995-01-01

This paper presents an overview of NASA Langley research program in formal methods. The major goals of this work are to make formal methods practical for use on life critical systems, and to orchestrate the transfer of this technology to U.S. industry through use of carefully designed demonstration projects. Several direct technology transfer efforts have been initiated that apply formal methods to critical subsystems of real aerospace computer systems. The research team consists of five NASA civil servants and contractors from Odyssey Research Associates, SRI International, and VIGYAN Inc.

Vortex equations: Singularities, numerical solution, and axisymmetric vortex breakdown

NASA Technical Reports Server (NTRS)

Bossel, H. H.

1972-01-01

A method of weighted residuals for the computation of rotationally symmetric quasi-cylindrical viscous incompressible vortex flow is presented and used to compute a wide variety of vortex flows. The method approximates the axial velocity and circulation profiles by series of exponentials having (N + 1) and N free parameters, respectively. Formal integration results in a set of (2N + 1) ordinary differential equations for the free parameters. The governing equations are shown to have an infinite number of discrete singularities corresponding to critical values of the swirl parameters. The computations point to the controlling influence of the inner core flow on vortex behavior. They also confirm the existence of two particular critical swirl parameter values: one separates vortex flow which decays smoothly from vortex flow which eventually breaks down, and the second is the first singularity of the quasi-cylindrical system, at which point physical vortex breakdown is thought to occur.

State-of-the-art methods for computing the electromagnetic interaction of lightning with aircraft

NASA Technical Reports Server (NTRS)

Eriksen, F. J.; Perala, R. A.; Corbin, J. C., Jr.

1980-01-01

Nuclear electromagnetic pulse (NEMP) coupling codes and methods are evaluated and summarized. The differences between NEMP and lightning interaction with aircraft are discussed and critical parameters peculiar to lightning are examined.

Validation Methods for Fault-Tolerant avionics and control systems, working group meeting 1

NASA Technical Reports Server (NTRS)

1979-01-01

The proceedings of the first working group meeting on validation methods for fault tolerant computer design are presented. The state of the art in fault tolerant computer validation was examined in order to provide a framework for future discussions concerning research issues for the validation of fault tolerant avionics and flight control systems. The development of positions concerning critical aspects of the validation process are given.

Combination of inquiry learning model and computer simulation to improve mastery concept and the correlation with critical thinking skills (CTS)

NASA Astrophysics Data System (ADS)

Nugraha, Muhamad Gina; Kaniawati, Ida; Rusdiana, Dadi; Kirana, Kartika Hajar

2016-02-01

Among the purposes of physics learning at high school is to master the physics concepts and cultivate scientific attitude (including critical attitude), develop inductive and deductive reasoning skills. According to Ennis et al., inductive and deductive reasoning skills are part of critical thinking. Based on preliminary studies, both of the competence are lack achieved, it is seen from student learning outcomes is low and learning processes that are not conducive to cultivate critical thinking (teacher-centered learning). One of learning model that predicted can increase mastery concepts and train CTS is inquiry learning model aided computer simulations. In this model, students were given the opportunity to be actively involved in the experiment and also get a good explanation with the computer simulations. From research with randomized control group pretest-posttest design, we found that the inquiry learning model aided computer simulations can significantly improve students' mastery concepts than the conventional (teacher-centered) method. With inquiry learning model aided computer simulations, 20% of students have high CTS, 63.3% were medium and 16.7% were low. CTS greatly contribute to the students' mastery concept with a correlation coefficient of 0.697 and quite contribute to the enhancement mastery concept with a correlation coefficient of 0.603.

Leveraging Gibbs Ensemble Molecular Dynamics and Hybrid Monte Carlo/Molecular Dynamics for Efficient Study of Phase Equilibria.

PubMed

Gartner, Thomas E; Epps, Thomas H; Jayaraman, Arthi

2016-11-08

We describe an extension of the Gibbs ensemble molecular dynamics (GEMD) method for studying phase equilibria. Our modifications to GEMD allow for direct control over particle transfer between phases and improve the method's numerical stability. Additionally, we found that the modified GEMD approach had advantages in computational efficiency in comparison to a hybrid Monte Carlo (MC)/MD Gibbs ensemble scheme in the context of the single component Lennard-Jones fluid. We note that this increase in computational efficiency does not compromise the close agreement of phase equilibrium results between the two methods. However, numerical instabilities in the GEMD scheme hamper GEMD's use near the critical point. We propose that the computationally efficient GEMD simulations can be used to map out the majority of the phase window, with hybrid MC/MD used as a follow up for conditions under which GEMD may be unstable (e.g., near-critical behavior). In this manner, we can capitalize on the contrasting strengths of these two methods to enable the efficient study of phase equilibria for systems that present challenges for a purely stochastic GEMC method, such as dense or low temperature systems, and/or those with complex molecular topologies.

On the computational aspects of comminution in discrete element method

NASA Astrophysics Data System (ADS)

Chaudry, Mohsin Ali; Wriggers, Peter

2018-04-01

In this paper, computational aspects of crushing/comminution of granular materials are addressed. For crushing, maximum tensile stress-based criterion is used. Crushing model in discrete element method (DEM) is prone to problems of mass conservation and reduction in critical time step. The first problem is addressed by using an iterative scheme which, depending on geometric voids, recovers mass of a particle. In addition, a global-local framework for DEM problem is proposed which tends to alleviate the local unstable motion of particles and increases the computational efficiency.

Teaching Business Programming Using Games: A Critical Analysis

ERIC Educational Resources Information Center

Muganda, Nixon; Joubert, Pieter, Jr.; Toit, Jacques Du; Johnson, Roy

2012-01-01

Introduction: This paper examines the persistent problematic issue of engaging business students in teaching computer programming. Studies continue to document challenges in teaching computer programming and various methods have been proposed with varying degrees of success. From an educator's perspective, the concern is how to engage students to…

A brief overview of NASA Langley's research program in formal methods

NASA Technical Reports Server (NTRS)

1992-01-01

An overview of NASA Langley's research program in formal methods is presented. The major goal of this work is to bring formal methods technology to a sufficiently mature level for use by the United States aerospace industry. Towards this goal, work is underway to design and formally verify a fault-tolerant computing platform suitable for advanced flight control applications. Also, several direct technology transfer efforts have been initiated that apply formal methods to critical subsystems of real aerospace computer systems. The research team consists of six NASA civil servants and contractors from Boeing Military Aircraft Company, Computational Logic Inc., Odyssey Research Associates, SRI International, University of California at Davis, and Vigyan Inc.

GPU Accelerated Prognostics

NASA Technical Reports Server (NTRS)

Gorospe, George E., Jr.; Daigle, Matthew J.; Sankararaman, Shankar; Kulkarni, Chetan S.; Ng, Eley

2017-01-01

Prognostic methods enable operators and maintainers to predict the future performance for critical systems. However, these methods can be computationally expensive and may need to be performed each time new information about the system becomes available. In light of these computational requirements, we have investigated the application of graphics processing units (GPUs) as a computational platform for real-time prognostics. Recent advances in GPU technology have reduced cost and increased the computational capability of these highly parallel processing units, making them more attractive for the deployment of prognostic software. We present a survey of model-based prognostic algorithms with considerations for leveraging the parallel architecture of the GPU and a case study of GPU-accelerated battery prognostics with computational performance results.

Re-Tooling the Agency's Engineering Predictive Practices for Durability and Damage Tolerance

NASA Technical Reports Server (NTRS)

Piascik, Robert S.; Knight, Norman F., Jr.

2017-01-01

Over the past decade, the Agency has placed less emphasis on testing and has increasingly relied on computational methods to assess durability and damage tolerance (D&DT) behavior when evaluating design margins for fracture-critical components. With increased emphasis on computational D&DT methods as the standard practice, it is paramount that capabilities of these methods are understood, the methods are used within their technical limits, and validation by well-designed tests confirms understanding. The D&DT performance of a component is highly dependent on parameters in the neighborhood of the damage. This report discusses D&DT method vulnerabilities.

Biomimetic design processes in architecture: morphogenetic and evolutionary computational design.

PubMed

Menges, Achim

2012-03-01

Design computation has profound impact on architectural design methods. This paper explains how computational design enables the development of biomimetic design processes specific to architecture, and how they need to be significantly different from established biomimetic processes in engineering disciplines. The paper first explains the fundamental difference between computer-aided and computational design in architecture, as the understanding of this distinction is of critical importance for the research presented. Thereafter, the conceptual relation and possible transfer of principles from natural morphogenesis to design computation are introduced and the related developments of generative, feature-based, constraint-based, process-based and feedback-based computational design methods are presented. This morphogenetic design research is then related to exploratory evolutionary computation, followed by the presentation of two case studies focusing on the exemplary development of spatial envelope morphologies and urban block morphologies.

The pKa Cooperative: A Collaborative Effort to Advance Structure-Based Calculations of pKa values and Electrostatic Effects in Proteins

PubMed Central

Nielsen, Jens E.; Gunner, M. R.; Bertrand García-Moreno, E.

2012-01-01

The pKa Cooperative http://www.pkacoop.org was organized to advance development of accurate and useful computational methods for structure-based calculation of pKa values and electrostatic energy in proteins. The Cooperative brings together laboratories with expertise and interest in theoretical, computational and experimental studies of protein electrostatics. To improve structure-based energy calculations it is necessary to better understand the physical character and molecular determinants of electrostatic effects. The Cooperative thus intends to foment experimental research into fundamental aspects of proteins that depend on electrostatic interactions. It will maintain a depository for experimental data useful for critical assessment of methods for structure-based electrostatics calculations. To help guide the development of computational methods the Cooperative will organize blind prediction exercises. As a first step, computational laboratories were invited to reproduce an unpublished set of experimental pKa values of acidic and basic residues introduced in the interior of staphylococcal nuclease by site-directed mutagenesis. The pKa values of these groups are unique and challenging to simulate owing to the large magnitude of their shifts relative to normal pKa values in water. Many computational methods were tested in this 1st Blind Prediction Challenge and critical assessment exercise. A workshop was organized in the Telluride Science Research Center to assess objectively the performance of many computational methods tested on this one extensive dataset. This volume of PROTEINS: Structure, Function, and Bioinformatics introduces the pKa Cooperative, presents reports submitted by participants in the blind prediction challenge, and highlights some of the problems in structure-based calculations identified during this exercise. PMID:22002877

Water demand forecasting: review of soft computing methods.

PubMed

Ghalehkhondabi, Iman; Ardjmand, Ehsan; Young, William A; Weckman, Gary R

2017-07-01

Demand forecasting plays a vital role in resource management for governments and private companies. Considering the scarcity of water and its inherent constraints, demand management and forecasting in this domain are critically important. Several soft computing techniques have been developed over the last few decades for water demand forecasting. This study focuses on soft computing methods of water consumption forecasting published between 2005 and 2015. These methods include artificial neural networks (ANNs), fuzzy and neuro-fuzzy models, support vector machines, metaheuristics, and system dynamics. Furthermore, it was discussed that while in short-term forecasting, ANNs have been superior in many cases, but it is still very difficult to pick a single method as the overall best. According to the literature, various methods and their hybrids are applied to water demand forecasting. However, it seems soft computing has a lot more to contribute to water demand forecasting. These contribution areas include, but are not limited, to various ANN architectures, unsupervised methods, deep learning, various metaheuristics, and ensemble methods. Moreover, it is found that soft computing methods are mainly used for short-term demand forecasting.

Multivariate Longitudinal Methods for Studying Developmental Relationships between Depression and Academic Achievement

ERIC Educational Resources Information Center

Grimm, Kevin J.

2007-01-01

Recent advances in methods and computer software for longitudinal data analysis have pushed researchers to more critically examine developmental theories. In turn, researchers have also begun to push longitudinal methods by asking more complex developmental questions. One such question involves the relationships between two developmental…

Introduction to Reactor Statics Modules, RS-1. Nuclear Engineering Computer Modules.

ERIC Educational Resources Information Center

Edlund, Milton C.

The nine Reactor Statics Modules are designed to introduce students to the use of numerical methods and digital computers for calculation of neutron flux distributions in space and energy which are needed to calculate criticality, power distribution, and fuel burn-up for both slow neutron and fast neutron fission reactors. The diffusion…

Evaluating How the Computer-Supported Collaborative Learning Community Fosters Critical Reflective Practices

ERIC Educational Resources Information Center

Ma, Ada W.W.

2013-01-01

In recent research, little attention has been paid to issues of methodology and analysis methods to evaluate the quality of the collaborative learning community. To address such issues, an attempt is made to adopt the Activity System Model as an analytical framework to examine the relationship between computer supported collaborative learning…

A PERT/CPM of the Computer Assisted Completion of The Ministry September Report. Research Report.

ERIC Educational Resources Information Center

Feeney, J. D.

Using two statistical analysis techniques (the Program Evaluation and Review Technique and the Critical Path Method), this study analyzed procedures for compiling the required yearly report of the Metropolitan Separate School Board (Catholic) of Toronto, Canada. The computer-assisted analysis organized the process of completing the report more…

Optimized distributed computing environment for mask data preparation

NASA Astrophysics Data System (ADS)

Ahn, Byoung-Sup; Bang, Ju-Mi; Ji, Min-Kyu; Kang, Sun; Jang, Sung-Hoon; Choi, Yo-Han; Ki, Won-Tai; Choi, Seong-Woon; Han, Woo-Sung

2005-11-01

As the critical dimension (CD) becomes smaller, various resolution enhancement techniques (RET) are widely adopted. In developing sub-100nm devices, the complexity of optical proximity correction (OPC) is severely increased and applied OPC layers are expanded to non-critical layers. The transformation of designed pattern data by OPC operation causes complexity, which cause runtime overheads to following steps such as mask data preparation (MDP), and collapse of existing design hierarchy. Therefore, many mask shops exploit the distributed computing method in order to reduce the runtime of mask data preparation rather than exploit the design hierarchy. Distributed computing uses a cluster of computers that are connected to local network system. However, there are two things to limit the benefit of the distributing computing method in MDP. First, every sequential MDP job, which uses maximum number of available CPUs, is not efficient compared to parallel MDP job execution due to the input data characteristics. Second, the runtime enhancement over input cost is not sufficient enough since the scalability of fracturing tools is limited. In this paper, we will discuss optimum load balancing environment that is useful in increasing the uptime of distributed computing system by assigning appropriate number of CPUs for each input design data. We will also describe the distributed processing (DP) parameter optimization to obtain maximum throughput in MDP job processing.

Density-based empirical likelihood procedures for testing symmetry of data distributions and K-sample comparisons.

PubMed

Vexler, Albert; Tanajian, Hovig; Hutson, Alan D

In practice, parametric likelihood-ratio techniques are powerful statistical tools. In this article, we propose and examine novel and simple distribution-free test statistics that efficiently approximate parametric likelihood ratios to analyze and compare distributions of K groups of observations. Using the density-based empirical likelihood methodology, we develop a Stata package that applies to a test for symmetry of data distributions and compares K -sample distributions. Recognizing that recent statistical software packages do not sufficiently address K -sample nonparametric comparisons of data distributions, we propose a new Stata command, vxdbel, to execute exact density-based empirical likelihood-ratio tests using K samples. To calculate p -values of the proposed tests, we use the following methods: 1) a classical technique based on Monte Carlo p -value evaluations; 2) an interpolation technique based on tabulated critical values; and 3) a new hybrid technique that combines methods 1 and 2. The third, cutting-edge method is shown to be very efficient in the context of exact-test p -value computations. This Bayesian-type method considers tabulated critical values as prior information and Monte Carlo generations of test statistic values as data used to depict the likelihood function. In this case, a nonparametric Bayesian method is proposed to compute critical values of exact tests.

A risk assessment method for multi-site damage

NASA Astrophysics Data System (ADS)

Millwater, Harry Russell, Jr.

This research focused on developing probabilistic methods suitable for computing small probabilities of failure, e.g., 10sp{-6}, of structures subject to multi-site damage (MSD). MSD is defined as the simultaneous development of fatigue cracks at multiple sites in the same structural element such that the fatigue cracks may coalesce to form one large crack. MSD is modeled as an array of collinear cracks with random initial crack lengths with the centers of the initial cracks spaced uniformly apart. The data used was chosen to be representative of aluminum structures. The structure is considered failed whenever any two adjacent cracks link up. A fatigue computer model is developed that can accurately and efficiently grow a collinear array of arbitrary length cracks from initial size until failure. An algorithm is developed to compute the stress intensity factors of all cracks considering all interaction effects. The probability of failure of two to 100 cracks is studied. Lower bounds on the probability of failure are developed based upon the probability of the largest crack exceeding a critical crack size. The critical crack size is based on the initial crack size that will grow across the ligament when the neighboring crack has zero length. The probability is evaluated using extreme value theory. An upper bound is based on the probability of the maximum sum of initial cracks being greater than a critical crack size. A weakest link sampling approach is developed that can accurately and efficiently compute small probabilities of failure. This methodology is based on predicting the weakest link, i.e., the two cracks to link up first, for a realization of initial crack sizes, and computing the cycles-to-failure using these two cracks. Criteria to determine the weakest link are discussed. Probability results using the weakest link sampling method are compared to Monte Carlo-based benchmark results. The results indicate that very small probabilities can be computed accurately in a few minutes using a Hewlett-Packard workstation.

Is Model-Based Development a Favorable Approach for Complex and Safety-Critical Computer Systems on Commercial Aircraft?

NASA Technical Reports Server (NTRS)

Torres-Pomales, Wilfredo

2014-01-01

A system is safety-critical if its failure can endanger human life or cause significant damage to property or the environment. State-of-the-art computer systems on commercial aircraft are highly complex, software-intensive, functionally integrated, and network-centric systems of systems. Ensuring that such systems are safe and comply with existing safety regulations is costly and time-consuming as the level of rigor in the development process, especially the validation and verification activities, is determined by considerations of system complexity and safety criticality. A significant degree of care and deep insight into the operational principles of these systems is required to ensure adequate coverage of all design implications relevant to system safety. Model-based development methodologies, methods, tools, and techniques facilitate collaboration and enable the use of common design artifacts among groups dealing with different aspects of the development of a system. This paper examines the application of model-based development to complex and safety-critical aircraft computer systems. Benefits and detriments are identified and an overall assessment of the approach is given.

Advances in mixed-integer programming methods for chemical production scheduling.

PubMed

Velez, Sara; Maravelias, Christos T

2014-01-01

The goal of this paper is to critically review advances in the area of chemical production scheduling over the past three decades and then present two recently proposed solution methods that have led to dramatic computational enhancements. First, we present a general framework and problem classification and discuss modeling and solution methods with an emphasis on mixed-integer programming (MIP) techniques. Second, we present two solution methods: (a) a constraint propagation algorithm that allows us to compute parameters that are then used to tighten MIP scheduling models and (b) a reformulation that introduces new variables, thus leading to effective branching. We also present computational results and an example illustrating how these methods are implemented, as well as the resulting enhancements. We close with a discussion of open research challenges and future research directions.

Rotational relaxation of molecular hydrogen at moderate temperatures

NASA Technical Reports Server (NTRS)

Sharma, S. P.

1994-01-01

Using a coupled rotation-vibration-dissociation model the rotational relaxation times for molecular hydrogen as a function of final temperature (500-5000 K), in a hypothetical scenario of sudden compression, are computed. The theoretical model is based on a master equation solver. The bound-bound and bound-free transition rates have been computed using a quasiclassical trajectory method. A review of the available experimental data on the rotational relaxation of hydrogen is presented, with a critical overview of the method of measurements and data reduction, including the sources of errors. These experimental data are then compared with the computed results.

Parallel aeroelastic computations for wing and wing-body configurations

NASA Technical Reports Server (NTRS)

Byun, Chansup

1994-01-01

The objective of this research is to develop computationally efficient methods for solving fluid-structural interaction problems by directly coupling finite difference Euler/Navier-Stokes equations for fluids and finite element dynamics equations for structures on parallel computers. This capability will significantly impact many aerospace projects of national importance such as Advanced Subsonic Civil Transport (ASCT), where the structural stability margin becomes very critical at the transonic region. This research effort will have direct impact on the High Performance Computing and Communication (HPCC) Program of NASA in the area of parallel computing.

OECD/NEA expert group on uncertainty analysis for criticality safety assessment: Results of benchmark on sensitivity calculation (phase III)

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

Ivanova, T.; Laville, C.; Dyrda, J.

2012-07-01

The sensitivities of the k{sub eff} eigenvalue to neutron cross sections have become commonly used in similarity studies and as part of the validation algorithm for criticality safety assessments. To test calculations of the sensitivity coefficients, a benchmark study (Phase III) has been established by the OECD-NEA/WPNCS/EG UACSA (Expert Group on Uncertainty Analysis for Criticality Safety Assessment). This paper presents some sensitivity results generated by the benchmark participants using various computational tools based upon different computational methods: SCALE/TSUNAMI-3D and -1D, MONK, APOLLO2-MORET 5, DRAGON-SUSD3D and MMKKENO. The study demonstrates the performance of the tools. It also illustrates how model simplificationsmore » impact the sensitivity results and demonstrates the importance of 'implicit' (self-shielding) sensitivities. This work has been a useful step towards verification of the existing and developed sensitivity analysis methods. (authors)« less

Holographic free energy and thermodynamic geometry

NASA Astrophysics Data System (ADS)

Ghorai, Debabrata; Gangopadhyay, Sunandan

2016-12-01

We obtain the free energy and thermodynamic geometry of holographic superconductors in 2+1 dimensions. The gravitational theory in the bulk dual to this 2+1-dimensional strongly coupled theory lives in the 3+1 dimensions and is that of a charged AdS black hole together with a massive charged scalar field. The matching method is applied to obtain the nature of the fields near the horizon using which the holographic free energy is computed through the gauge/gravity duality. The critical temperature is obtained for a set of values of the matching point of the near horizon and the boundary behaviour of the fields in the probe limit approximation which neglects the back reaction of the matter fields on the background spacetime geometry. The thermodynamic geometry is then computed from the free energy of the boundary theory. From the divergence of the thermodynamic scalar curvature, the critical temperature is obtained once again. We then compare this result for the critical temperature with that obtained from the matching method.

Theoretical study of the electric dipole moment function of the ClO molecule

NASA Technical Reports Server (NTRS)

Pettersson, L. G. M.; Langhoff, S. R.; Chong, D. P.

1986-01-01

The potential energy function and electric dipole moment function (EDMF) are computed for ClO X 2Pi using several different techniques to include electron correlation. The EDMF is used to compute Einstein coefficients, vibrational lifetimes, and dipole moments in higher vibrational levels. The band strength of the 1-0 fundamental transition is computed to be 12 + or - 2 per sq cm atm determined from infrared heterodyne spectroscopy. The theoretical methods used include SCF, CASSCF, multireference singles plus doubles configuration interaction (MRCI) and contracted CI, coupled pair functional (CPF), and a modified version of the CPF method. The results obtained using the different methods are critically compared.

Analyzing the security of an existing computer system

NASA Technical Reports Server (NTRS)

Bishop, M.

1986-01-01

Most work concerning secure computer systems has dealt with the design, verification, and implementation of provably secure computer systems, or has explored ways of making existing computer systems more secure. The problem of locating security holes in existing systems has received considerably less attention; methods generally rely on thought experiments as a critical step in the procedure. The difficulty is that such experiments require that a large amount of information be available in a format that makes correlating the details of various programs straightforward. This paper describes a method of providing such a basis for the thought experiment by writing a special manual for parts of the operating system, system programs, and library subroutines.

Model-free simulations of turbulent reactive flows

NASA Technical Reports Server (NTRS)

Givi, Peyman

1989-01-01

The current computational methods for solving transport equations of turbulent reacting single-phase flows are critically reviewed, with primary attention given to those methods that lead to model-free simulations. In particular, consideration is given to direct numerical simulations using spectral (Galerkin) and pseudospectral (collocation) methods, spectral element methods, and Lagrangian methods. The discussion also covers large eddy simulations and turbulence modeling.

Mechanistic Indicators of Childhood Asthma (MICA): piloting an integrative design for evaluating environmental health

EPA Science Inventory

Background: Modem methods in molecular biology and advanced computational tools show promise in elucidating complex interactions that occur between genes and environmental factors in diseases such as asthma; however appropriately designed studies are critical for these methods to...

Structural Analysis Made 'NESSUSary'

NASA Technical Reports Server (NTRS)

2005-01-01

Everywhere you look, chances are something that was designed and tested by a computer will be in plain view. Computers are now utilized to design and test just about everything imaginable, from automobiles and airplanes to bridges and boats, and elevators and escalators to streets and skyscrapers. Computer-design engineering first emerged in the 1970s, in the automobile and aerospace industries. Since computers were in their infancy, however, architects and engineers during the time were limited to producing only designs similar to hand-drafted drawings. (At the end of 1970s, a typical computer-aided design system was a 16-bit minicomputer with a price tag of $125,000.) Eventually, computers became more affordable and related software became more sophisticated, offering designers the "bells and whistles" to go beyond the limits of basic drafting and rendering, and venture into more skillful applications. One of the major advancements was the ability to test the objects being designed for the probability of failure. This advancement was especially important for the aerospace industry, where complicated and expensive structures are designed. The ability to perform reliability and risk assessment without using extensive hardware testing is critical to design and certification. In 1984, NASA initiated the Probabilistic Structural Analysis Methods (PSAM) project at Glenn Research Center to develop analysis methods and computer programs for the probabilistic structural analysis of select engine components for current Space Shuttle and future space propulsion systems. NASA envisioned that these methods and computational tools would play a critical role in establishing increased system performance and durability, and assist in structural system qualification and certification. Not only was the PSAM project beneficial to aerospace, it paved the way for a commercial risk- probability tool that is evaluating risks in diverse, down- to-Earth application

On the critical forcing amplitude of forced nonlinear oscillators

NASA Astrophysics Data System (ADS)

Febbo, Mariano; Ji, Jinchen C.

2013-12-01

The steady-state response of forced single degree-of-freedom weakly nonlinear oscillators under primary resonance conditions can exhibit saddle-node bifurcations, jump and hysteresis phenomena, if the amplitude of the excitation exceeds a certain value. This critical value of excitation amplitude or critical forcing amplitude plays an important role in determining the occurrence of saddle-node bifurcations in the frequency-response curve. This work develops an alternative method to determine the critical forcing amplitude for single degree-of-freedom nonlinear oscillators. Based on Lagrange multipliers approach, the proposed method considers the calculation of the critical forcing amplitude as an optimization problem with constraints that are imposed by the existence of locations of vertical tangency. In comparison with the Gröbner basis method, the proposed approach is more straightforward and thus easy to apply for finding the critical forcing amplitude both analytically and numerically. Three examples are given to confirm the validity of the theoretical predictions. The first two present the analytical form for the critical forcing amplitude and the third one is an example of a numerically computed solution.

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.

A method for identifying EMI critical circuits during development of a large C3

NASA Astrophysics Data System (ADS)

Barr, Douglas H.

The circuit analysis methods and process Boeing Aerospace used on a large, ground-based military command, control, and communications (C3) system are described. This analysis was designed to help identify electromagnetic interference (EMI) critical circuits. The methodology used the MIL-E-6051 equipment criticality categories as the basis for defining critical circuits, relational database technology to help sort through and account for all of the approximately 5000 system signal cables, and Macintosh Plus personal computers to predict critical circuits based on safety margin analysis. The EMI circuit analysis process systematically examined all system circuits to identify which ones were likely to be EMI critical. The process used two separate, sequential safety margin analyses to identify critical circuits (conservative safety margin analysis, and detailed safety margin analysis). These analyses used field-to-wire and wire-to-wire coupling models using both worst-case and detailed circuit parameters (physical and electrical) to predict circuit safety margins. This process identified the predicted critical circuits that could then be verified by test.

Application of the string method to the study of critical nuclei in capillary condensation.

PubMed

Qiu, Chunyin; Qian, Tiezheng; Ren, Weiqing

2008-10-21

We adopt a continuum description for liquid-vapor phase transition in the framework of mean-field theory and use the string method to numerically investigate the critical nuclei for capillary condensation in a slit pore. This numerical approach allows us to determine the critical nuclei corresponding to saddle points of the grand potential function in which the chemical potential is given in the beginning. The string method locates the minimal energy path (MEP), which is the most probable transition pathway connecting two metastable/stable states in configuration space. From the MEP, the saddle point is determined and the corresponding energy barrier also obtained (for grand potential). Moreover, the MEP shows how the new phase (liquid) grows out of the old phase (vapor) along the most probable transition pathway, from the birth of a critical nucleus to its consequent expansion. Our calculations run from partial wetting to complete wetting with a variable strength of attractive wall potential. In the latter case, the string method presents a unified way for computing the critical nuclei, from film formation at solid surface to bulk condensation via liquid bridge. The present application of the string method to the numerical study of capillary condensation shows the great power of this method in evaluating the critical nuclei in various liquid-vapor phase transitions.

Estimating erosion risk on forest lands using improved methods of discriminant analysis

Treesearch

J. Lewis; R. M. Rice

1990-01-01

A population of 638 timber harvest areas in northwestern California was sampled for data related to the occurrence of critical amounts of erosion (>153 m3 within 0.81 ha). Separate analyses were done for forest roads and logged areas. Linear discriminant functions were computed in each analysis to contrast site conditions at critical plots with randomly selected...

Initial postbuckling analysis of elastoplastic thin-shear structures

NASA Technical Reports Server (NTRS)

Carnoy, E. G.; Panosyan, G.

1984-01-01

The design of thin shell structures with respect to elastoplastic buckling requires an extended analysis of the influence of initial imperfections. For conservative design, the most critical defect should be assumed with the maximum allowable magnitude. This defect is closely related to the initial postbuckling behavior. An algorithm is given for the quasi-static analysis of the postbuckling behavior of structures that exhibit multiple buckling points. the algorithm based upon an energy criterion allows the computation of the critical perturbation which will be employed for the definition of the critical defect. For computational efficiency, the algorithm uses the reduced basis technique with automatic update of the modal basis. The method is applied to the axisymmetric buckling of cylindrical shells under axial compression, and conclusions are given for future research.

Critical behaviour and vapour-liquid coexistence of 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide ionic liquids via Monte Carlo simulations.

PubMed

Rai, Neeraj; Maginn, Edward J

2012-01-01

Atomistic Monte Carlo simulations are used to compute vapour-liquid coexistence properties of a homologous series of [C(n)mim][NTf2] ionic liquids, with n = 1, 2, 4, 6. Estimates of the critical temperatures range from 1190 K to 1257 K, with longer cation alkyl chains serving to lower the critical temperature. Other quantities such as critical density, critical pressure, normal boiling point, and accentric factor are determined from the simulations. Vapour pressure curves and the temperature dependence of the enthalpy of vapourisation are computed and found to have a weak dependence on the length of the cation alkyl chain. The ions in the vapour phase are predominately in single ion pairs, although a significant number of ions are found in neutral clusters of larger sizes as temperature is increased. It is found that previous estimates of the critical point obtained from extrapolating experimental surface tension data agree reasonably well with the predictions obtained here, but group contribution methods and primitive models of ionic liquids do not capture many of the trends observed in the present study

A method to compute SEU fault probabilities in memory arrays with error correction

NASA Technical Reports Server (NTRS)

Gercek, Gokhan

1994-01-01

With the increasing packing densities in VLSI technology, Single Event Upsets (SEU) due to cosmic radiations are becoming more of a critical issue in the design of space avionics systems. In this paper, a method is introduced to compute the fault (mishap) probability for a computer memory of size M words. It is assumed that a Hamming code is used for each word to provide single error correction. It is also assumed that every time a memory location is read, single errors are corrected. Memory is read randomly whose distribution is assumed to be known. In such a scenario, a mishap is defined as two SEU's corrupting the same memory location prior to a read. The paper introduces a method to compute the overall mishap probability for the entire memory for a mission duration of T hours.

Improved first-order uncertainty method for water-quality modeling

USGS Publications Warehouse

Melching, C.S.; Anmangandla, S.

1992-01-01

Uncertainties are unavoidable in water-quality modeling and subsequent management decisions. Monte Carlo simulation and first-order uncertainty analysis (involving linearization at central values of the uncertain variables) have been frequently used to estimate probability distributions for water-quality model output due to their simplicity. Each method has its drawbacks: Monte Carlo simulation's is mainly computational time; and first-order analysis are mainly questions of accuracy and representativeness, especially for nonlinear systems and extreme conditions. An improved (advanced) first-order method is presented, where the linearization point varies to match the output level whose exceedance probability is sought. The advanced first-order method is tested on the Streeter-Phelps equation to estimate the probability distribution of critical dissolved-oxygen deficit and critical dissolved oxygen using two hypothetical examples from the literature. The advanced first-order method provides a close approximation of the exceedance probability for the Streeter-Phelps model output estimated by Monte Carlo simulation using less computer time - by two orders of magnitude - regardless of the probability distributions assumed for the uncertain model parameters.

Accurate de novo design of hyperstable constrained peptides

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

Bhardwaj, Gaurav; Mulligan, Vikram Khipple; Bahl, Christopher D.

Covalently-crosslinked peptides present attractive opportunities for developing new therapeutics. Lying between small molecule and protein therapeutics in size, natural crosslinked peptides play critical roles in signaling, virulence and immunity. Engineering novel peptides with precise control over their three-dimensional structures is a significant challenge. Here we describe the development of computational methods for de novo design of conformationally-restricted peptides, and the use of these methods to design hyperstable disulfide-stabilized miniproteins, heterochiral peptides, and N-C cyclic peptides. Experimentally-determined X-ray and NMR structures for 12 of the designs are nearly identical to the computational models. The computational design methods and stable scaffolds providemore » the basis for a new generation of peptide-based drugs.« less

Continuum Electrostatics Approaches to Calculating pKas and Ems in Proteins

PubMed Central

Gunner, MR; Baker, Nathan A.

2017-01-01

Proteins change their charge state through protonation and redox reactions as well as through binding charged ligands. The free energy of these reactions are dominated by solvation and electrostatic energies and modulated by protein conformational relaxation in response to the ionization state changes. Although computational methods for calculating these interactions can provide very powerful tools for predicting protein charge states, they include several critical approximations of which users should be aware. This chapter discusses the strengths, weaknesses, and approximations of popular computational methods for predicting charge states and understanding their underlying electrostatic interactions. The goal of this chapter is to inform users about applications and potential caveats of these methods as well as outline directions for future theoretical and computational research. PMID:27497160

MECHANISTIC INDICATORS OF CHILDHOOD ASTHMA (MICA): A SYSTEMS BIOLOGY APPROACH FOR THE INTEGRATION OF MULTIFACTORIAL EXPOSURE AND ENVIRONMENTAL HEALTH DATA

EPA Science Inventory

Modem methods in molecular biology and advanced computational tools show promise in elucidating complex interactions that occur between genes and environmental factors in diseases such as asthma. However, appropriately designed studies are critical for these methods to reach the...

Promoting Critical, Elaborative Discussions through a Collaboration Script and Argument Diagrams

ERIC Educational Resources Information Center

Scheuer, Oliver; McLaren, Bruce M.; Weinberger, Armin; Niebuhr, Sabine

2014-01-01

During the past two decades a variety of approaches to support argumentation learning in computer-based learning environments have been investigated. We present an approach that combines argumentation diagramming and collaboration scripts, two methods successfully used in the past individually. The rationale for combining the methods is to…

Efficient Wideband Numerical Simulations for Nanostructures Employing a Drude-Critical Points (DCP) Dispersive Model.

PubMed

Ren, Qiang; Nagar, Jogender; Kang, Lei; Bian, Yusheng; Werner, Ping; Werner, Douglas H

2017-05-18

A highly efficient numerical approach for simulating the wideband optical response of nano-architectures comprised of Drude-Critical Points (DCP) media (e.g., gold and silver) is proposed and validated through comparing with commercial computational software. The kernel of this algorithm is the subdomain level discontinuous Galerkin time domain (DGTD) method, which can be viewed as a hybrid of the spectral-element time-domain method (SETD) and the finite-element time-domain (FETD) method. An hp-refinement technique is applied to decrease the Degrees-of-Freedom (DoFs) and computational requirements. The collocated E-J scheme facilitates solving the auxiliary equations by converting the inversions of matrices to simpler vector manipulations. A new hybrid time stepping approach, which couples the Runge-Kutta and Newmark methods, is proposed to solve the temporal auxiliary differential equations (ADEs) with a high degree of efficiency. The advantages of this new approach, in terms of computational resource overhead and accuracy, are validated through comparison with well-known commercial software for three diverse cases, which cover both near-field and far-field properties with plane wave and lumped port sources. The presented work provides the missing link between DCP dispersive models and FETD and/or SETD based algorithms. It is a competitive candidate for numerically studying the wideband plasmonic properties of DCP media.

Failure Bounding And Sensitivity Analysis Applied To Monte Carlo Entry, Descent, And Landing Simulations

NASA Technical Reports Server (NTRS)

Gaebler, John A.; Tolson, Robert H.

2010-01-01

In the study of entry, descent, and landing, Monte Carlo sampling methods are often employed to study the uncertainty in the designed trajectory. The large number of uncertain inputs and outputs, coupled with complicated non-linear models, can make interpretation of the results difficult. Three methods that provide statistical insights are applied to an entry, descent, and landing simulation. The advantages and disadvantages of each method are discussed in terms of the insights gained versus the computational cost. The first method investigated was failure domain bounding which aims to reduce the computational cost of assessing the failure probability. Next a variance-based sensitivity analysis was studied for the ability to identify which input variable uncertainty has the greatest impact on the uncertainty of an output. Finally, probabilistic sensitivity analysis is used to calculate certain sensitivities at a reduced computational cost. These methods produce valuable information that identifies critical mission parameters and needs for new technology, but generally at a significant computational cost.

Quantum wavepacket ab initio molecular dynamics: an approach for computing dynamically averaged vibrational spectra including critical nuclear quantum effects.

PubMed

Sumner, Isaiah; Iyengar, Srinivasan S

2007-10-18

We have introduced a computational methodology to study vibrational spectroscopy in clusters inclusive of critical nuclear quantum effects. This approach is based on the recently developed quantum wavepacket ab initio molecular dynamics method that combines quantum wavepacket dynamics with ab initio molecular dynamics. The computational efficiency of the dynamical procedure is drastically improved (by several orders of magnitude) through the utilization of wavelet-based techniques combined with the previously introduced time-dependent deterministic sampling procedure measure to achieve stable, picosecond length, quantum-classical dynamics of electrons and nuclei in clusters. The dynamical information is employed to construct a novel cumulative flux/velocity correlation function, where the wavepacket flux from the quantized particle is combined with classical nuclear velocities to obtain the vibrational density of states. The approach is demonstrated by computing the vibrational density of states of [Cl-H-Cl]-, inclusive of critical quantum nuclear effects, and our results are in good agreement with experiment. A general hierarchical procedure is also provided, based on electronic structure harmonic frequencies, classical ab initio molecular dynamics, computation of nuclear quantum-mechanical eigenstates, and employing quantum wavepacket ab initio dynamics to understand vibrational spectroscopy in hydrogen-bonded clusters that display large degrees of anharmonicities.

A survey of current trends in computational drug repositioning.

PubMed

Li, Jiao; Zheng, Si; Chen, Bin; Butte, Atul J; Swamidass, S Joshua; Lu, Zhiyong

2016-01-01

Computational drug repositioning or repurposing is a promising and efficient tool for discovering new uses from existing drugs and holds the great potential for precision medicine in the age of big data. The explosive growth of large-scale genomic and phenotypic data, as well as data of small molecular compounds with granted regulatory approval, is enabling new developments for computational repositioning. To achieve the shortest path toward new drug indications, advanced data processing and analysis strategies are critical for making sense of these heterogeneous molecular measurements. In this review, we show recent advancements in the critical areas of computational drug repositioning from multiple aspects. First, we summarize available data sources and the corresponding computational repositioning strategies. Second, we characterize the commonly used computational techniques. Third, we discuss validation strategies for repositioning studies, including both computational and experimental methods. Finally, we highlight potential opportunities and use-cases, including a few target areas such as cancers. We conclude with a brief discussion of the remaining challenges in computational drug repositioning. Published by Oxford University Press 2015. This work is written by US Government employees and is in the public domain in the US.

Examination of two methods of describing the thermodynamic properties of oxygen near the critical point

NASA Technical Reports Server (NTRS)

Rees, T. H.; Suttles, J. T.

1972-01-01

A computer study was conducted to compare the numerical behavior of two approaches to describing the thermodynamic properties of oxygen near the critical point. Data on the relative differences between values of specific heats at constant pressure (sub p) density, and isotherm and isochor derivatives of the equation of state are presented for selected supercritical pressures at temperatures in the range 100 to 300 K. The results of a more detailed study of the sub p representations afforded by the two methods are also presented.

The analytical transfer matrix method for PT-symmetric complex potential

NASA Astrophysics Data System (ADS)

Naceri, Leila; Hammou, Amine B.

2017-07-01

We have extended the analytical transfer matrix (ATM) method to solve quantum mechanical bound state problems with complex PT-symmetric potentials. Our work focuses on a class of models studied by Bender and Jones, we calculate the energy eigenvalues, discuss the critical values of g and compare the results with those obtained from other methods such as exact numerical computation and WKB approximation method.

The use of computational inspection to identify process window limiting hotspots and predict sub-15nm defects with high capture rate

NASA Astrophysics Data System (ADS)

Ham, Boo-Hyun; Kim, Il-Hwan; Park, Sung-Sik; Yeo, Sun-Young; Kim, Sang-Jin; Park, Dong-Woon; Park, Joon-Soo; Ryu, Chang-Hoon; Son, Bo-Kyeong; Hwang, Kyung-Bae; Shin, Jae-Min; Shin, Jangho; Park, Ki-Yeop; Park, Sean; Liu, Lei; Tien, Ming-Chun; Nachtwein, Angelique; Jochemsen, Marinus; Yan, Philip; Hu, Vincent; Jones, Christopher

2017-03-01

As critical dimensions for advanced two dimensional (2D) DUV patterning continue to shrink, the exact process window becomes increasingly difficult to determine. The defect size criteria shrink with the patterning critical dimensions and are well below the resolution of current optical inspection tools. As a result, it is more challenging for traditional bright field inspection tools to accurately discover the hotspots that define the process window. In this study, we use a novel computational inspection method to identify the depth-of-focus limiting features of a 10 nm node mask with 2D metal structures (single exposure) and compare the results to those obtained with a traditional process windows qualification (PWQ) method based on utilizing a focus modulated wafer and bright field inspection (BFI) to detect hotspot defects. The method is extended to litho-etch litho-etch (LELE) on a different test vehicle to show that overlay related bridging hotspots also can be identified.

A large-scale evaluation of computational protein function prediction

PubMed Central

Radivojac, Predrag; Clark, Wyatt T; Ronnen Oron, Tal; Schnoes, Alexandra M; Wittkop, Tobias; Sokolov, Artem; Graim, Kiley; Funk, Christopher; Verspoor, Karin; Ben-Hur, Asa; Pandey, Gaurav; Yunes, Jeffrey M; Talwalkar, Ameet S; Repo, Susanna; Souza, Michael L; Piovesan, Damiano; Casadio, Rita; Wang, Zheng; Cheng, Jianlin; Fang, Hai; Gough, Julian; Koskinen, Patrik; Törönen, Petri; Nokso-Koivisto, Jussi; Holm, Liisa; Cozzetto, Domenico; Buchan, Daniel W A; Bryson, Kevin; Jones, David T; Limaye, Bhakti; Inamdar, Harshal; Datta, Avik; Manjari, Sunitha K; Joshi, Rajendra; Chitale, Meghana; Kihara, Daisuke; Lisewski, Andreas M; Erdin, Serkan; Venner, Eric; Lichtarge, Olivier; Rentzsch, Robert; Yang, Haixuan; Romero, Alfonso E; Bhat, Prajwal; Paccanaro, Alberto; Hamp, Tobias; Kassner, Rebecca; Seemayer, Stefan; Vicedo, Esmeralda; Schaefer, Christian; Achten, Dominik; Auer, Florian; Böhm, Ariane; Braun, Tatjana; Hecht, Maximilian; Heron, Mark; Hönigschmid, Peter; Hopf, Thomas; Kaufmann, Stefanie; Kiening, Michael; Krompass, Denis; Landerer, Cedric; Mahlich, Yannick; Roos, Manfred; Björne, Jari; Salakoski, Tapio; Wong, Andrew; Shatkay, Hagit; Gatzmann, Fanny; Sommer, Ingolf; Wass, Mark N; Sternberg, Michael J E; Škunca, Nives; Supek, Fran; Bošnjak, Matko; Panov, Panče; Džeroski, Sašo; Šmuc, Tomislav; Kourmpetis, Yiannis A I; van Dijk, Aalt D J; ter Braak, Cajo J F; Zhou, Yuanpeng; Gong, Qingtian; Dong, Xinran; Tian, Weidong; Falda, Marco; Fontana, Paolo; Lavezzo, Enrico; Di Camillo, Barbara; Toppo, Stefano; Lan, Liang; Djuric, Nemanja; Guo, Yuhong; Vucetic, Slobodan; Bairoch, Amos; Linial, Michal; Babbitt, Patricia C; Brenner, Steven E; Orengo, Christine; Rost, Burkhard; Mooney, Sean D; Friedberg, Iddo

2013-01-01

Automated annotation of protein function is challenging. As the number of sequenced genomes rapidly grows, the overwhelming majority of protein products can only be annotated computationally. If computational predictions are to be relied upon, it is crucial that the accuracy of these methods be high. Here we report the results from the first large-scale community-based Critical Assessment of protein Function Annotation (CAFA) experiment. Fifty-four methods representing the state-of-the-art for protein function prediction were evaluated on a target set of 866 proteins from eleven organisms. Two findings stand out: (i) today’s best protein function prediction algorithms significantly outperformed widely-used first-generation methods, with large gains on all types of targets; and (ii) although the top methods perform well enough to guide experiments, there is significant need for improvement of currently available tools. PMID:23353650

On the convergence of nanotechnology and Big Data analysis for computer-aided diagnosis.

PubMed

Rodrigues, Jose F; Paulovich, Fernando V; de Oliveira, Maria Cf; de Oliveira, Osvaldo N

2016-04-01

An overview is provided of the challenges involved in building computer-aided diagnosis systems capable of precise medical diagnostics based on integration and interpretation of data from different sources and formats. The availability of massive amounts of data and computational methods associated with the Big Data paradigm has brought hope that such systems may soon be available in routine clinical practices, which is not the case today. We focus on visual and machine learning analysis of medical data acquired with varied nanotech-based techniques and on methods for Big Data infrastructure. Because diagnosis is essentially a classification task, we address the machine learning techniques with supervised and unsupervised classification, making a critical assessment of the progress already made in the medical field and the prospects for the near future. We also advocate that successful computer-aided diagnosis requires a merge of methods and concepts from nanotechnology and Big Data analysis.

Deploying Crowd-Sourced Formal Verification Systems in a DoD Network

DTIC Science & Technology

2013-09-01

INTENTIONALLY LEFT BLANK 1 I. INTRODUCTION A. INTRODUCTION In 2014 cyber attacks on critical infrastructure are expected to increase...CSFV systems on the Internet‒‒possibly using cloud infrastructure (Dean, 2013). By using Amazon Compute Cloud (EC2) systems, DARPA will use ordinary...through standard access methods. Those clients could be mobile phones, laptops, netbooks, tablet computers or personal digital assistants (PDAs) (Smoot

Computational simulation of laser heat processing of materials

NASA Astrophysics Data System (ADS)

Shankar, Vijaya; Gnanamuthu, Daniel

1987-04-01

A computational model simulating the laser heat treatment of AISI 4140 steel plates with a CW CO2 laser beam has been developed on the basis of the three-dimensional, time-dependent heat equation (subject to the appropriate boundary conditions). The solution method is based on Newton iteration applied to a triple-approximate factorized form of the equation. The method is implicit and time-accurate; the maintenance of time-accuracy in the numerical formulation is noted to be critical for the simulation of finite length workpieces with a finite laser beam dwell time.

Automated Parameter Studies Using a Cartesian Method

NASA Technical Reports Server (NTRS)

Murman, Scott M.; Aftosimis, Michael J.; Nemec, Marian

2004-01-01

Computational Fluid Dynamics (CFD) is now routinely used to analyze isolated points in a design space by performing steady-state computations at fixed flight conditions (Mach number, angle of attack, sideslip), for a fixed geometric configuration of interest. This "point analysis" provides detailed information about the flowfield, which aides an engineer in understanding, or correcting, a design. A point analysis is typically performed using high fidelity methods at a handful of critical design points, e.g. a cruise or landing configuration, or a sample of points along a flight trajectory.

The PBL-Evaluator: A Web-Based Tool for Assessment in Tutorials.

ERIC Educational Resources Information Center

Chaves, John F.; Chaves, John A.; Lantz, Marilyn S.

1998-01-01

Describes design and use of the PBL Evaluator, a computer-based method of evaluating dental students' clinical problem-solving skills. Analysis of Indiana University students' self-, peer, and tutor ratings for one iteration of a course in critical thinking and professional behavior shows differences in these ratings. The method is found useful…

The effects of various instructional methods on retention of knowledge about pressure ulcers among critical care and medical-surgical nurses.

PubMed

Cox, Jill; Roche, Sharon; Van Wynen, Elizabeth

2011-02-01

To determine whether there was a difference in retention of knowledge about pressure ulcers with a traditional lecture versus computer-based instruction. A quasi-experimental, pretest/posttest design was used. Medical-surgical and critical care nurses (N = 60) were randomly assigned to a lecture, to computer-based instruction, or to a control group. Study participants were given the pressure ulcer knowledge test before and immediately after the program and at 3-month and 6-month intervals. Analysis of variance showed statistically significant differences in pretest and posttest scores [F(2, 57) = 35.784, p = .000] and in posttest to 3-month scores [F(2, 57) = 18.427, p = .000] among the three groups. The most significant loss of pressure ulcer knowledge, regardless of educational method, occurred within the first 3 months. Based on these findings, quarterly education in pressure ulcer prevention is recommended to maintain knowledge. Computer-based instruction is a viable option for acquisition and retention of knowledge about pressure ulcer prevention. Copyright 2011, SLACK Incorporated.

High Precision Prediction of Functional Sites in Protein Structures

PubMed Central

Buturovic, Ljubomir; Wong, Mike; Tang, Grace W.; Altman, Russ B.; Petkovic, Dragutin

2014-01-01

We address the problem of assigning biological function to solved protein structures. Computational tools play a critical role in identifying potential active sites and informing screening decisions for further lab analysis. A critical parameter in the practical application of computational methods is the precision, or positive predictive value. Precision measures the level of confidence the user should have in a particular computed functional assignment. Low precision annotations lead to futile laboratory investigations and waste scarce research resources. In this paper we describe an advanced version of the protein function annotation system FEATURE, which achieved 99% precision and average recall of 95% across 20 representative functional sites. The system uses a Support Vector Machine classifier operating on the microenvironment of physicochemical features around an amino acid. We also compared performance of our method with state-of-the-art sequence-level annotator Pfam in terms of precision, recall and localization. To our knowledge, no other functional site annotator has been rigorously evaluated against these key criteria. The software and predictive models are incorporated into the WebFEATURE service at http://feature.stanford.edu/wf4.0-beta. PMID:24632601

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.

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

Numerical simulation of inductive method for determining spatial distribution of critical current density

NASA Astrophysics Data System (ADS)

Kamitani, A.; Takayama, T.; Tanaka, A.; Ikuno, S.

2010-11-01

The inductive method for measuring the critical current density jC in a high-temperature superconducting (HTS) thin film has been investigated numerically. In order to simulate the method, a non-axisymmetric numerical code has been developed for analyzing the time evolution of the shielding current density. In the code, the governing equation of the shielding current density is spatially discretized with the finite element method and the resulting first-order ordinary differential system is solved by using the 5th-order Runge-Kutta method with an adaptive step-size control algorithm. By using the code, the threshold current IT is evaluated for various positions of a coil. The results of computations show that, near a film edge, the accuracy of the estimating formula for jC is remarkably degraded. Moreover, even the proportional relationship between jC and IT will be lost there. Hence, the critical current density near a film edge cannot be estimated by using the inductive method.

Molecular dynamics study of combustion reactions in supercritical environment. Part 1: Carbon dioxide and water force field parameters refitting and critical isotherms of binary mixtures

DOE PAGES

Masunov, Artem E.; Atlanov, Arseniy Alekseyevich; Vasu, Subith S.

2016-10-04

Oxy-fuel combustion process is expected to drastically increase the energy efficiency and enable easy carbon sequestration. In this technology the combustion products (carbon dioxide and water) are used to control the temperature and nitrogen is excluded from the combustion chamber, so that nitrogen oxide pollutants do not form. Therefore, in oxycombustion the carbon dioxide and water are present in large concentrations in their transcritical state, and may play an important role in kinetics. The computational chemistry methods may assist in understanding these effects, and Molecular Dynamics with ReaxFF force field seem to be a suitable tool for such a study.more » Here we investigate applicability of the ReaxFF to describe the critical phenomena in carbon dioxide and water and find that several nonbonding parameters need adjustment. We report the new parameter set, capable to reproduce the critical temperatures and pressures. Furthermore, the critical isotherms of CO 2/H 2O binary mixtures are computationally studied here for the first time and their critical parameters are reported.« less

Molecular dynamics study of combustion reactions in supercritical environment. Part 1: Carbon dioxide and water force field parameters refitting and critical isotherms of binary mixtures

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

Masunov, Artem E.; Atlanov, Arseniy Alekseyevich; Vasu, Subith S.

Oxy-fuel combustion process is expected to drastically increase the energy efficiency and enable easy carbon sequestration. In this technology the combustion products (carbon dioxide and water) are used to control the temperature and nitrogen is excluded from the combustion chamber, so that nitrogen oxide pollutants do not form. Therefore, in oxycombustion the carbon dioxide and water are present in large concentrations in their transcritical state, and may play an important role in kinetics. The computational chemistry methods may assist in understanding these effects, and Molecular Dynamics with ReaxFF force field seem to be a suitable tool for such a study.more » Here we investigate applicability of the ReaxFF to describe the critical phenomena in carbon dioxide and water and find that several nonbonding parameters need adjustment. We report the new parameter set, capable to reproduce the critical temperatures and pressures. Furthermore, the critical isotherms of CO 2/H 2O binary mixtures are computationally studied here for the first time and their critical parameters are reported.« less

Continuum Electrostatics Approaches to Calculating pKas and Ems in Proteins.

PubMed

Gunner, M R; Baker, N A

2016-01-01

Proteins change their charge state through protonation and redox reactions as well as through binding charged ligands. The free energy of these reactions is dominated by solvation and electrostatic energies and modulated by protein conformational relaxation in response to the ionization state changes. Although computational methods for calculating these interactions can provide very powerful tools for predicting protein charge states, they include several critical approximations of which users should be aware. This chapter discusses the strengths, weaknesses, and approximations of popular computational methods for predicting charge states and understanding the underlying electrostatic interactions. The goal of this chapter is to inform users about applications and potential caveats of these methods as well as outline directions for future theoretical and computational research. © 2016 Elsevier Inc. All rights reserved.

Integrating computational methods to retrofit enzymes to synthetic pathways.

PubMed

Brunk, Elizabeth; Neri, Marilisa; Tavernelli, Ivano; Hatzimanikatis, Vassily; Rothlisberger, Ursula

2012-02-01

Microbial production of desired compounds provides an efficient framework for the development of renewable energy resources. To be competitive to traditional chemistry, one requirement is to utilize the full capacity of the microorganism to produce target compounds with high yields and turnover rates. We use integrated computational methods to generate and quantify the performance of novel biosynthetic routes that contain highly optimized catalysts. Engineering a novel reaction pathway entails addressing feasibility on multiple levels, which involves handling the complexity of large-scale biochemical networks while respecting the critical chemical phenomena at the atomistic scale. To pursue this multi-layer challenge, our strategy merges knowledge-based metabolic engineering methods with computational chemistry methods. By bridging multiple disciplines, we provide an integral computational framework that could accelerate the discovery and implementation of novel biosynthetic production routes. Using this approach, we have identified and optimized a novel biosynthetic route for the production of 3HP from pyruvate. Copyright © 2011 Wiley Periodicals, Inc.

Benchmark On Sensitivity Calculation (Phase III)

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

Ivanova, Tatiana; Laville, Cedric; Dyrda, James

2012-01-01

The sensitivities of the keff eigenvalue to neutron cross sections have become commonly used in similarity studies and as part of the validation algorithm for criticality safety assessments. To test calculations of the sensitivity coefficients, a benchmark study (Phase III) has been established by the OECD-NEA/WPNCS/EG UACSA (Expert Group on Uncertainty Analysis for Criticality Safety Assessment). This paper presents some sensitivity results generated by the benchmark participants using various computational tools based upon different computational methods: SCALE/TSUNAMI-3D and -1D, MONK, APOLLO2-MORET 5, DRAGON-SUSD3D and MMKKENO. The study demonstrates the performance of the tools. It also illustrates how model simplifications impactmore » the sensitivity results and demonstrates the importance of 'implicit' (self-shielding) sensitivities. This work has been a useful step towards verification of the existing and developed sensitivity analysis methods.« less

Wind-tunnel procedure for determination of critical stability and control characteristics of airplanes

NASA Technical Reports Server (NTRS)

Goett, Harry J; Jackson, Roy P; Belsley, Steven E

1944-01-01

This report outlines the flight conditions that are usually critical in determining the design of components of an airplane which affect its stability and control characteristics. The wind-tunnel tests necessary to determine the pertinent data for these conditions are indicated, and the methods of computation used to translate these data into characteristics which define the flying qualities of the airplane are illustrated.

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

Harwood, Caroline S

The goal of this project is to identify gene networks that are critical for efficient biohydrogen production by leveraging variation in gene content and gene expression in independently isolated Rhodopseudomonas palustris strains. Coexpression methods were applied to large data sets that we have collected to define probabilistic causal gene networks. To our knowledge this a first systems level approach that takes advantage of strain-to strain variability to computationally define networks critical for a particular bacterial phenotypic trait.

Probing the critical zone using passive- and active-source estimates of subsurface shear-wave velocities

NASA Astrophysics Data System (ADS)

Callahan, R. P.; Taylor, N. J.; Pasquet, S.; Dueker, K. G.; Riebe, C. S.; Holbrook, W. S.

2016-12-01

Geophysical imaging is rapidly becoming popular for quantifying subsurface critical zone (CZ) architecture. However, a diverse array of measurements and measurement techniques are available, raising the question of which are appropriate for specific study goals. Here we compare two techniques for measuring S-wave velocities (Vs) in the near surface. The first approach quantifies Vs in three dimensions using a passive source and an iterative residual least-squares tomographic inversion. The second approach uses a more traditional active-source seismic survey to quantify Vs in two dimensions via a Monte Carlo surface-wave dispersion inversion. Our analysis focuses on three 0.01 km2 study plots on weathered granitic bedrock in the Southern Sierra Critical Zone Observatory. Preliminary results indicate that depth-averaged velocities from the two methods agree over the scales of resolution of the techniques. While the passive- and active-source techniques both quantify Vs, each method has distinct advantages and disadvantages during data acquisition and analysis. The passive-source method has the advantage of generating a three dimensional distribution of subsurface Vs structure across a broad area. Because this method relies on the ambient seismic field as a source, which varies unpredictably across space and time, data quality and depth of investigation are outside the control of the user. Meanwhile, traditional active-source surveys can be designed around a desired depth of investigation. However, they only generate a two dimensional image of Vs structure. Whereas traditional active-source surveys can be inverted quickly on a personal computer in the field, passive source surveys require significantly more computations, and are best conducted in a high-performance computing environment. We use data from our study sites to compare these methods across different scales and to explore how these methods can be used to better understand subsurface CZ architecture.

Hotspot-Centric De Novo Design of Protein Binders

PubMed Central

Fleishman, Sarel J.; Corn, Jacob E.; Strauch, Eva-Maria; Whitehead, Timothy A.; Karanicolas, John; Baker, David

2014-01-01

Protein–protein interactions play critical roles in biology, and computational design of interactions could be useful in a range of applications. We describe in detail a general approach to de novo design of protein interactions based on computed, energetically optimized interaction hotspots, which was recently used to produce high-affinity binders of influenza hemagglutinin. We present several alternative approaches to identify and build the key hotspot interactions within both core secondary structural elements and variable loop regions and evaluate the method's performance in natural-interface recapitulation. We show that the method generates binding surfaces that are more conformationally restricted than previous design methods, reducing opportunities for off-target interactions. PMID:21945116

Numerical Computation of Homogeneous Slope Stability

PubMed Central

Xiao, Shuangshuang; Li, Kemin; Ding, Xiaohua; Liu, Tong

2015-01-01

To simplify the computational process of homogeneous slope stability, improve computational accuracy, and find multiple potential slip surfaces of a complex geometric slope, this study utilized the limit equilibrium method to derive expression equations of overall and partial factors of safety. This study transformed the solution of the minimum factor of safety (FOS) to solving of a constrained nonlinear programming problem and applied an exhaustive method (EM) and particle swarm optimization algorithm (PSO) to this problem. In simple slope examples, the computational results using an EM and PSO were close to those obtained using other methods. Compared to the EM, the PSO had a small computation error and a significantly shorter computation time. As a result, the PSO could precisely calculate the slope FOS with high efficiency. The example of the multistage slope analysis indicated that this slope had two potential slip surfaces. The factors of safety were 1.1182 and 1.1560, respectively. The differences between these and the minimum FOS (1.0759) were small, but the positions of the slip surfaces were completely different than the critical slip surface (CSS). PMID:25784927

Numerical computation of homogeneous slope stability.

PubMed

Xiao, Shuangshuang; Li, Kemin; Ding, Xiaohua; Liu, Tong

2015-01-01

To simplify the computational process of homogeneous slope stability, improve computational accuracy, and find multiple potential slip surfaces of a complex geometric slope, this study utilized the limit equilibrium method to derive expression equations of overall and partial factors of safety. This study transformed the solution of the minimum factor of safety (FOS) to solving of a constrained nonlinear programming problem and applied an exhaustive method (EM) and particle swarm optimization algorithm (PSO) to this problem. In simple slope examples, the computational results using an EM and PSO were close to those obtained using other methods. Compared to the EM, the PSO had a small computation error and a significantly shorter computation time. As a result, the PSO could precisely calculate the slope FOS with high efficiency. The example of the multistage slope analysis indicated that this slope had two potential slip surfaces. The factors of safety were 1.1182 and 1.1560, respectively. The differences between these and the minimum FOS (1.0759) were small, but the positions of the slip surfaces were completely different than the critical slip surface (CSS).

Many Masses on One Stroke:. Economic Computation of Quark Propagators

NASA Astrophysics Data System (ADS)

Frommer, Andreas; Nöckel, Bertold; Güsken, Stephan; Lippert, Thomas; Schilling, Klaus

The computational effort in the calculation of Wilson fermion quark propagators in Lattice Quantum Chromodynamics can be considerably reduced by exploiting the Wilson fermion matrix structure in inversion algorithms based on the non-symmetric Lanczos process. We consider two such methods: QMR (quasi minimal residual) and BCG (biconjugate gradients). Based on the decomposition M/κ = 1/κ-D of the Wilson mass matrix, using QMR, one can carry out inversions on a whole trajectory of masses simultaneously, merely at the computational expense of a single propagator computation. In other words, one has to compute the propagator corresponding to the lightest mass only, while all the heavier masses are given for free, at the price of extra storage. Moreover, the symmetry γ5M = M†γ5 can be used to cut the computational effort in QMR and BCG by a factor of two. We show that both methods then become — in the critical regime of small quark masses — competitive to BiCGStab and significantly better than the standard MR method, with optimal relaxation factor, and CG as applied to the normal equations.

Proactive authenticated notifications for health practitioners: two way human computer interaction through phone.

PubMed

Majeed, Raphael W; Stöhr, Mark R; Röhrig, Rainer

2012-01-01

Notifications and alerts play an important role in clinical daily routine. Rising prevalence of clinical decision support systems and electronic health records also result in increasing demands on notification systems. Failure adequately to communicate a critical value is a potential cause of adverse events. Critical laboratory values and changing vital data depend on timely notifications of medical staff. Vital monitors and medical devices rely on acoustic signals for alerting which are prone to "alert fatigue" and require medical staff to be present within audible range. Personal computers are unsuitable to display time critical notification messages, since the targeted medical staff are not always operating or watching the computer. On the other hand, mobile phones and smart devices enjoy increasing popularity. Previous notification systems sending text messages to mobile phones depend on asynchronous confirmations. By utilizing an automated telephony server, we provide a method to deliver notifications quickly and independently of the recipients' whereabouts while allowing immediate feedback and confirmations. Evaluation results suggest the feasibility of the proposed notification system for real-time notifications.

Universality hypothesis breakdown at one-loop order

NASA Astrophysics Data System (ADS)

Carvalho, P. R. S.

2018-05-01

We probe the universality hypothesis by analytically computing the at least two-loop corrections to the critical exponents for q -deformed O (N ) self-interacting λ ϕ4 scalar field theories through six distinct and independent field-theoretic renormalization group methods and ɛ -expansion techniques. We show that the effect of q deformation on the one-loop corrections to the q -deformed critical exponents is null, so the universality hypothesis is broken down at this loop order. Such an effect emerges only at the two-loop and higher levels, and the validity of the universality hypothesis is restored. The q -deformed critical exponents obtained through the six methods are the same and, furthermore, reduce to their nondeformed values in the appropriated limit.

The educational effectiveness of computer-based instruction

NASA Astrophysics Data System (ADS)

Renshaw, Carl E.; Taylor, Holly A.

2000-07-01

Although numerous studies have shown that computer-based education is effective for enhancing rote memorization, the impact of these tools on higher-order cognitive skills, such as critical thinking, is less clear. Existing methods for evaluating educational effectiveness, such as surveys, quizzes and pre- or post-interviews, may not be effective for evaluating impact on critical thinking skills because students are not always aware of the effects the software has on their thought processes. We review an alternative evaluation strategy whereby the student's mastery of a specific cognitive skill is directly assessed both before and after participating in a computer-based exercise. Methodologies for assessing cognitive skill are based on recent advances in the fields of cognitive science. Results from two studies show that computer-based exercises can positively impact the higher-order cognitive skills of some students. However, a given exercise will not impact all students equally. This suggests that further work is needed to understand how and why CAI software is more or less effective within a given population.

ENFIN--A European network for integrative systems biology.

PubMed

Kahlem, Pascal; Clegg, Andrew; Reisinger, Florian; Xenarios, Ioannis; Hermjakob, Henning; Orengo, Christine; Birney, Ewan

2009-11-01

Integration of biological data of various types and the development of adapted bioinformatics tools represent critical objectives to enable research at the systems level. The European Network of Excellence ENFIN is engaged in developing an adapted infrastructure to connect databases, and platforms to enable both the generation of new bioinformatics tools and the experimental validation of computational predictions. With the aim of bridging the gap existing between standard wet laboratories and bioinformatics, the ENFIN Network runs integrative research projects to bring the latest computational techniques to bear directly on questions dedicated to systems biology in the wet laboratory environment. The Network maintains internally close collaboration between experimental and computational research, enabling a permanent cycling of experimental validation and improvement of computational prediction methods. The computational work includes the development of a database infrastructure (EnCORE), bioinformatics analysis methods and a novel platform for protein function analysis FuncNet.

Annotated Bibliography on the Teaching of Psychology: 1999.

ERIC Educational Resources Information Center

Johnson, David E.; Schroder, Simone I.

2000-01-01

Presents an annotated bibliography covering awards, computers and technology, critical thinking, developmental psychology and aging, ethics, graduate education and training issues, high school psychology, history, introductory psychology, learning and cognition, perception/physiological/comparative psychology, research methods and research-related…

Influence of Learning Strategy of Cognitive Conflict on Student Misconception in Computational Physics Course

NASA Astrophysics Data System (ADS)

Akmam, A.; Anshari, R.; Amir, H.; Jalinus, N.; Amran, A.

2018-04-01

Misconception is one of the factors causing students are not suitable in to choose a method for problem solving. Computational Physics course is a major subject in the Department of Physics FMIPA UNP Padang. The problem in Computational Physics learning lately is that students have difficulties in constructing knowledge. The indication of this problem was the student learning outcomes do not achieve mastery learning. The root of the problem is the ability of students to think critically weak. Student critical thinking can be improved using cognitive by conflict learning strategies. The research aims to determine the effect of cognitive conflict learning strategy to student misconception on the subject of Computational Physics Course at the Department of Physics, Faculty of Mathematics and Science, Universitas Negeri Padang. The experimental research design conducted after-before design cycles with a sample of 60 students by cluster random sampling. Data were analyzed using repeated Anova measurements. The cognitive conflict learning strategy has a significant effect on student misconception in the subject of Computational Physics Course.

Anytime Prediction: Efficient Ensemble Methods for Any Computational Budget

DTIC Science & Technology

2014-01-21

difficult problem and is the focus of this work. 1.1 Motivation The number of machine learning applications which involve real time and latency sensitive pre...significantly increasing latency , and the computational costs associated with hosting a service are often critical to its viability. For such...balancing training costs, concerns such as scalability and tractability are often more important, as opposed to factors such as latency which are more

Verification and Validation in a Rapid Software Development Process

NASA Technical Reports Server (NTRS)

Callahan, John R.; Easterbrook, Steve M.

1997-01-01

The high cost of software production is driving development organizations to adopt more automated design and analysis methods such as rapid prototyping, computer-aided software engineering (CASE) tools, and high-level code generators. Even developers of safety-critical software system have adopted many of these new methods while striving to achieve high levels Of quality and reliability. While these new methods may enhance productivity and quality in many cases, we examine some of the risks involved in the use of new methods in safety-critical contexts. We examine a case study involving the use of a CASE tool that automatically generates code from high-level system designs. We show that while high-level testing on the system structure is highly desirable, significant risks exist in the automatically generated code and in re-validating releases of the generated code after subsequent design changes. We identify these risks and suggest process improvements that retain the advantages of rapid, automated development methods within the quality and reliability contexts of safety-critical projects.

Differential computation method used to calibrate the angle-centroid relationship in coaxial reverse Hartmann test

NASA Astrophysics Data System (ADS)

Li, Xinji; Hui, Mei; Zhao, Zhu; Liu, Ming; Dong, Liquan; Kong, Lingqin; Zhao, Yuejin

2018-05-01

A differential computation method is presented to improve the precision of calibration for coaxial reverse Hartmann test (RHT). In the calibration, the accuracy of the distance measurement greatly influences the surface shape test, as demonstrated in the mathematical analyses. However, high-precision absolute distance measurement is difficult in the calibration. Thus, a differential computation method that only requires the relative distance was developed. In the proposed method, a liquid crystal display screen successively displayed two regular dot matrix patterns with different dot spacing. In a special case, images on the detector exhibited similar centroid distributions during the reflector translation. Thus, the critical value of the relative displacement distance and the centroid distributions of the dots on the detector were utilized to establish the relationship between the rays at certain angles and the detector coordinates. Experiments revealed the approximately linear behavior of the centroid variation with the relative displacement distance. With the differential computation method, we increased the precision of traditional calibration 10-5 rad root mean square. The precision of the RHT was increased by approximately 100 nm.

Carbohydrate-protein interactions: molecular modeling insights.

PubMed

Pérez, Serge; Tvaroška, Igor

2014-01-01

The article reviews the significant contributions to, and the present status of, applications of computational methods for the characterization and prediction of protein-carbohydrate interactions. After a presentation of the specific features of carbohydrate modeling, along with a brief description of the experimental data and general features of carbohydrate-protein interactions, the survey provides a thorough coverage of the available computational methods and tools. At the quantum-mechanical level, the use of both molecular orbitals and density-functional theory is critically assessed. These are followed by a presentation and critical evaluation of the applications of semiempirical and empirical methods: QM/MM, molecular dynamics, free-energy calculations, metadynamics, molecular robotics, and others. The usefulness of molecular docking in structural glycobiology is evaluated by considering recent docking- validation studies on a range of protein targets. The range of applications of these theoretical methods provides insights into the structural, energetic, and mechanistic facets that occur in the course of the recognition processes. Selected examples are provided to exemplify the usefulness and the present limitations of these computational methods in their ability to assist in elucidation of the structural basis underlying the diverse function and biological roles of carbohydrates in their dialogue with proteins. These test cases cover the field of both carbohydrate biosynthesis and glycosyltransferases, as well as glycoside hydrolases. The phenomenon of (macro)molecular recognition is illustrated for the interactions of carbohydrates with such proteins as lectins, monoclonal antibodies, GAG-binding proteins, porins, and viruses. © 2014 Elsevier Inc. All rights reserved.

Boundary value problems with incremental plasticity in granular media

NASA Technical Reports Server (NTRS)

Chung, T. J.; Lee, J. K.; Costes, N. C.

1974-01-01

Discussion of the critical state concept in terms of an incremental theory of plasticity in granular (soil) media, and formulation of the governing equations which are convenient for a computational scheme using the finite element method. It is shown that the critical state concept with its representation by the classical incremental theory of plasticity can provide a powerful means for solving a wide variety of boundary value problems in soil media.

Contraceptive efficacy of the personal hormone monitoring system Persona.

PubMed

Trussell, J

1999-07-01

This is a commentary on the contraceptive effectiveness of the personal hormone-monitoring system Persona; it points out the various errors committed in computing method pregnancy rates. The modifications presented by Bonnar et al. on the incorrect procedure for computing method pregnancy rates are criticized as erroneous because the denominator includes cycles in which there is no risk of a method pregnancy according to the authors' algorithm for classifying pregnancy in an imperfect-use cycle. It is also claimed that the new exercise is a more complicated and less accurate way of computing for pregnancy rates by comparison with the simpler alternative. Since this new algorithm, used in the Persona system, is based on flawed logic, the annual risk of pregnancy is actually higher than the estimated 6% among women using Persona and having intercourse in each cycle except on red days.

SWToolbox: A surface-water tool-box for statistical analysis of streamflow time series

USGS Publications Warehouse

Kiang, Julie E.; Flynn, Kate; Zhai, Tong; Hummel, Paul; Granato, Gregory

2018-03-07

This report is a user guide for the low-flow analysis methods provided with version 1.0 of the Surface Water Toolbox (SWToolbox) computer program. The software combines functionality from two software programs—U.S. Geological Survey (USGS) SWSTAT and U.S. Environmental Protection Agency (EPA) DFLOW. Both of these programs have been used primarily for computation of critical low-flow statistics. The main analysis methods are the computation of hydrologic frequency statistics such as the 7-day minimum flow that occurs on average only once every 10 years (7Q10), computation of design flows including biologically based flows, and computation of flow-duration curves and duration hydrographs. Other annual, monthly, and seasonal statistics can also be computed. The interface facilitates retrieval of streamflow discharge data from the USGS National Water Information System and outputs text reports for a record of the analysis. Tools for graphing data and screening tests are available to assist the analyst in conducting the analysis.

Determining localized garment insulation values from manikin studies: computational method and results.

PubMed

Nelson, D A; Curlee, J S; Curran, A R; Ziriax, J M; Mason, P A

2005-12-01

The localized thermal insulation value expresses a garment's thermal resistance over the region which is covered by the garment, rather than over the entire surface of a subject or manikin. The determination of localized garment insulation values is critical to the development of high-resolution models of sensible heat exchange. A method is presented for determining and validating localized garment insulation values, based on whole-body insulation values (clo units) and using computer-aided design and thermal analysis software. Localized insulation values are presented for a catalog consisting of 106 garments and verified using computer-generated models. The values presented are suitable for use on volume element-based or surface element-based models of heat transfer involving clothed subjects.

BridgeRank: A novel fast centrality measure based on local structure of the network

NASA Astrophysics Data System (ADS)

Salavati, Chiman; Abdollahpouri, Alireza; Manbari, Zhaleh

2018-04-01

Ranking nodes in complex networks have become an important task in many application domains. In a complex network, influential nodes are those that have the most spreading ability. Thus, identifying influential nodes based on their spreading ability is a fundamental task in different applications such as viral marketing. One of the most important centrality measures to ranking nodes is closeness centrality which is efficient but suffers from high computational complexity O(n3) . This paper tries to improve closeness centrality by utilizing the local structure of nodes and presents a new ranking algorithm, called BridgeRank centrality. The proposed method computes local centrality value for each node. For this purpose, at first, communities are detected and the relationship between communities is completely ignored. Then, by applying a centrality in each community, only one best critical node from each community is extracted. Finally, the nodes are ranked based on computing the sum of the shortest path length of nodes to obtained critical nodes. We have also modified the proposed method by weighting the original BridgeRank and selecting several nodes from each community based on the density of that community. Our method can find the best nodes with high spread ability and low time complexity, which make it applicable to large-scale networks. To evaluate the performance of the proposed method, we use the SIR diffusion model. Finally, experiments on real and artificial networks show that our method is able to identify influential nodes so efficiently, and achieves better performance compared to other recent methods.

Frequency-independent approach to calculate physical optics radiations with the quadratic concave phase variations

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

Wu, Yu Mao, E-mail: yumaowu@fudan.edu.cn; Teng, Si Jia, E-mail: sjteng12@fudan.edu.cn

In this work, we develop the numerical steepest descent path (NSDP) method to calculate the physical optics (PO) radiations with the quadratic concave phase variations. With the surface integral equation method, the physical optics (PO) scattered fields are formulated and further reduced to the surface integrals. The high frequency physical critical points contributions, including the stationary phase points, the boundary resonance points and the vertex points are comprehensively studied via the proposed NSDP method. The key contributions of this work are twofold. One is that together with the PO integrals taking the quadratic parabolic and hyperbolic phase terms, this workmore » makes the NSDP theory be complete for treating the PO integrals with quadratic phase variations. Another is that, in order to illustrate the transition effect of the high frequency physical critical points, in this work, we consider and further extend the NSDP method to calculate the PO integrals with the coalescence of the high frequency critical points. Numerical results for the highly oscillatory PO integral with the coalescence of the critical points are given to verify the efficiency of the proposed NSDP method. The NSDP method could achieve the frequency independent computational workload and error controllable accuracy in all the numerical experiments, especially for the case of the coalescence of the high frequency critical points.« less

Critical care procedure logging using handheld computers

PubMed Central

Carlos Martinez-Motta, J; Walker, Robin; Stewart, Thomas E; Granton, John; Abrahamson, Simon; Lapinsky, Stephen E

2004-01-01

Introduction We conducted this study to evaluate the feasibility of implementing an internet-linked handheld computer procedure logging system in a critical care training program. Methods Subspecialty trainees in the Interdepartmental Division of Critical Care at the University of Toronto received and were trained in the use of Palm handheld computers loaded with a customized program for logging critical care procedures. The procedures were entered into the handheld device using checkboxes and drop-down lists, and data were uploaded to a central database via the internet. To evaluate the feasibility of this system, we tracked the utilization of this data collection system. Benefits and disadvantages were assessed through surveys. Results All 11 trainees successfully uploaded data to the central database, but only six (55%) continued to upload data on a regular basis. The most common reason cited for not using the system pertained to initial technical problems with data uploading. From 1 July 2002 to 30 June 2003, a total of 914 procedures were logged. Significant variability was noted in the number of procedures logged by individual trainees (range 13–242). The database generated by regular users provided potentially useful information to the training program director regarding the scope and location of procedural training among the different rotations and hospitals. Conclusion A handheld computer procedure logging system can be effectively used in a critical care training program. However, user acceptance was not uniform, and continued training and support are required to increase user acceptance. Such a procedure database may provide valuable information that may be used to optimize trainees' educational experience and to document clinical training experience for licensing and accreditation. PMID:15469577

Reinforcement learning for a biped robot based on a CPG-actor-critic method.

PubMed

Nakamura, Yutaka; Mori, Takeshi; Sato, Masa-aki; Ishii, Shin

2007-08-01

Animals' rhythmic movements, such as locomotion, are considered to be controlled by neural circuits called central pattern generators (CPGs), which generate oscillatory signals. Motivated by this biological mechanism, studies have been conducted on the rhythmic movements controlled by CPG. As an autonomous learning framework for a CPG controller, we propose in this article a reinforcement learning method we call the "CPG-actor-critic" method. This method introduces a new architecture to the actor, and its training is roughly based on a stochastic policy gradient algorithm presented recently. We apply this method to an automatic acquisition problem of control for a biped robot. Computer simulations show that training of the CPG can be successfully performed by our method, thus allowing the biped robot to not only walk stably but also adapt to environmental changes.

a Novel Discrete Optimal Transport Method for Bayesian Inverse Problems

NASA Astrophysics Data System (ADS)

Bui-Thanh, T.; Myers, A.; Wang, K.; Thiery, A.

2017-12-01

We present the Augmented Ensemble Transform (AET) method for generating approximate samples from a high-dimensional posterior distribution as a solution to Bayesian inverse problems. Solving large-scale inverse problems is critical for some of the most relevant and impactful scientific endeavors of our time. Therefore, constructing novel methods for solving the Bayesian inverse problem in more computationally efficient ways can have a profound impact on the science community. This research derives the novel AET method for exploring a posterior by solving a sequence of linear programming problems, resulting in a series of transport maps which map prior samples to posterior samples, allowing for the computation of moments of the posterior. We show both theoretical and numerical results, indicating this method can offer superior computational efficiency when compared to other SMC methods. Most of this efficiency is derived from matrix scaling methods to solve the linear programming problem and derivative-free optimization for particle movement. We use this method to determine inter-well connectivity in a reservoir and the associated uncertainty related to certain parameters. The attached file shows the difference between the true parameter and the AET parameter in an example 3D reservoir problem. The error is within the Morozov discrepancy allowance with lower computational cost than other particle methods.

Computational Prediction of Protein-Protein Interactions

PubMed Central

Ehrenberger, Tobias; Cantley, Lewis C.; Yaffe, Michael B.

2015-01-01

The prediction of protein-protein interactions and kinase-specific phosphorylation sites on individual proteins is critical for correctly placing proteins within signaling pathways and networks. The importance of this type of annotation continues to increase with the continued explosion of genomic and proteomic data, particularly with emerging data categorizing posttranslational modifications on a large scale. A variety of computational tools are available for this purpose. In this chapter, we review the general methodologies for these types of computational predictions and present a detailed user-focused tutorial of one such method and computational tool, Scansite, which is freely available to the entire scientific community over the Internet. PMID:25859943

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.

Tools and Techniques for Measuring and Improving Grid Performance

NASA Technical Reports Server (NTRS)

Biswas, Rupak; Frumkin, M.; Smith, W.; VanderWijngaart, R.; Wong, P.; Biegel, Bryan (Technical Monitor)

2001-01-01

This viewgraph presentation provides information on NASA's geographically dispersed computing resources, and the various methods by which the disparate technologies are integrated within a nationwide computational grid. Many large-scale science and engineering projects are accomplished through the interaction of people, heterogeneous computing resources, information systems and instruments at different locations. The overall goal is to facilitate the routine interactions of these resources to reduce the time spent in design cycles, particularly for NASA's mission critical projects. The IPG (Information Power Grid) seeks to implement NASA's diverse computing resources in a fashion similar to the way in which electric power is made available.

Using Computer-Assisted Argumentation Mapping to develop effective argumentation skills in high school advanced placement physics

NASA Astrophysics Data System (ADS)

Heglund, Brian

Educators recognize the importance of reasoning ability for development of critical thinking skills, conceptual change, metacognition, and participation in 21st century society. There is a recognized need for students to improve their skills of argumentation, however, argumentation is not explicitly taught outside logic and philosophy---subjects that are not part of the K-12 curriculum. One potential way of supporting the development of argumentation skills in the K-12 context is through incorporating Computer-Assisted Argument Mapping to evaluate arguments. This quasi-experimental study tested the effects of such argument mapping software and was informed by the following two research questions: 1. To what extent does the collaborative use of Computer-Assisted Argumentation Mapping to evaluate competing theories influence the critical thinking skill of argument evaluation, metacognitive awareness, and conceptual knowledge acquisition in high school Advanced Placement physics, compared to the more traditional method of text tables that does not employ Computer-Assisted Argumentation Mapping? 2. What are the student perceptions of the pros and cons of argument evaluation in the high school Advanced Placement physics environment? This study examined changes in critical thinking skills, including argumentation evaluation skills, as well as metacognitive awareness and conceptual knowledge, in two groups: a treatment group using Computer-Assisted Argumentation Mapping to evaluate physics arguments, and a comparison group using text tables to evaluate physics arguments. Quantitative and qualitative methods for collecting and analyzing data were used to answer the research questions. Quantitative data indicated no significant difference between the experimental groups, and qualitative data suggested students perceived pros and cons of argument evaluation in the high school Advanced Placement physics environment, such as self-reported sense of improvement in argument evaluation and low perceived value of the learning task, respectively. The discussion presents implications for practice and research, such as introducing motivation scaffolds to support appreciation of task value, and addressing major differences between the design of this study and similar published studies, respectively. This work provides contributions in that it tested the effect of Computer-Assisted Argumentation Mapping on the critical thinking skills of twelfth-grade students within the context of evaluating physics arguments, a previously unexplored age group and domain.

Energy and criticality in random Boolean networks

NASA Astrophysics Data System (ADS)

Andrecut, M.; Kauffman, S. A.

2008-06-01

The central issue of the research on the Random Boolean Networks (RBNs) model is the characterization of the critical transition between ordered and chaotic phases. Here, we discuss an approach based on the ‘energy’ associated with the unsatisfiability of the Boolean functions in the RBNs model, which provides an upper bound estimation for the energy used in computation. We show that in the ordered phase the RBNs are in a ‘dissipative’ regime, performing mostly ‘downhill’ moves on the ‘energy’ landscape. Also, we show that in the disordered phase the RBNs have to ‘hillclimb’ on the ‘energy’ landscape in order to perform computation. The analytical results, obtained using Derrida's approximation method, are in complete agreement with numerical simulations.

Large N critical exponents for the chiral Heisenberg Gross-Neveu universality class

NASA Astrophysics Data System (ADS)

Gracey, J. A.

2018-05-01

We compute the large N critical exponents η , ηϕ and 1 /ν in d dimensions in the chiral Heisenberg Gross-Neveu model to several orders in powers of 1 /N . For instance, the large N conformal bootstrap method is used to determine η at O (1 /N3) while the other exponents are computed to O (1 /N2). Estimates of the exponents for a phase transition in graphene are given which are shown to be commensurate with other approaches. In particular the behavior of the exponents in 2

A method of extracting ontology module using concept relations for sharing knowledge in mobile cloud computing environment.

PubMed

Lee, Keonsoo; Rho, Seungmin; Lee, Seok-Won

2014-01-01

In mobile cloud computing environment, the cooperation of distributed computing objects is one of the most important requirements for providing successful cloud services. To satisfy this requirement, all the members, who are employed in the cooperation group, need to share the knowledge for mutual understanding. Even if ontology can be the right tool for this goal, there are several issues to make a right ontology. As the cost and complexity of managing knowledge increase according to the scale of the knowledge, reducing the size of ontology is one of the critical issues. In this paper, we propose a method of extracting ontology module to increase the utility of knowledge. For the given signature, this method extracts the ontology module, which is semantically self-contained to fulfill the needs of the service, by considering the syntactic structure and semantic relation of concepts. By employing this module, instead of the original ontology, the cooperation of computing objects can be performed with less computing load and complexity. In particular, when multiple external ontologies need to be combined for more complex services, this method can be used to optimize the size of shared knowledge.

GAPIT version 2: an enhanced integrated tool for genomic association and prediction

USDA-ARS?s Scientific Manuscript database

Most human diseases and agriculturally important traits are complex. Dissecting their genetic architecture requires continued development of innovative and powerful statistical methods. Corresponding advances in computing tools are critical to efficiently use these statistical innovations and to enh...

Fast Learning for Immersive Engagement in Energy Simulations

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

Bush, Brian W; Bugbee, Bruce; Gruchalla, Kenny M

The fast computation which is critical for immersive engagement with and learning from energy simulations would be furthered by developing a general method for creating rapidly computed simplified versions of NREL's computation-intensive energy simulations. Created using machine learning techniques, these 'reduced form' simulations can provide statistically sound estimates of the results of the full simulations at a fraction of the computational cost with response times - typically less than one minute of wall-clock time - suitable for real-time human-in-the-loop design and analysis. Additionally, uncertainty quantification techniques can document the accuracy of the approximate models and their domain of validity. Approximationmore » methods are applicable to a wide range of computational models, including supply-chain models, electric power grid simulations, and building models. These reduced-form representations cannot replace or re-implement existing simulations, but instead supplement them by enabling rapid scenario design and quality assurance for large sets of simulations. We present an overview of the framework and methods we have implemented for developing these reduced-form representations.« less

Reprogrammable logic in memristive crossbar for in-memory computing

NASA Astrophysics Data System (ADS)

Cheng, Long; Zhang, Mei-Yun; Li, Yi; Zhou, Ya-Xiong; Wang, Zhuo-Rui; Hu, Si-Yu; Long, Shi-Bing; Liu, Ming; Miao, Xiang-Shui

2017-12-01

Memristive stateful logic has emerged as a promising next-generation in-memory computing paradigm to address escalating computing-performance pressures in traditional von Neumann architecture. Here, we present a nonvolatile reprogrammable logic method that can process data between different rows and columns in a memristive crossbar array based on material implication (IMP) logic. Arbitrary Boolean logic can be executed with a reprogrammable cell containing four memristors in a crossbar array. In the fabricated Ti/HfO2/W memristive array, some fundamental functions, such as universal NAND logic and data transfer, were experimentally implemented. Moreover, using eight memristors in a 2  ×  4 array, a one-bit full adder was theoretically designed and verified by simulation to exhibit the feasibility of our method to accomplish complex computing tasks. In addition, some critical logic-related performances were further discussed, such as the flexibility of data processing, cascading problem and bit error rate. Such a method could be a step forward in developing IMP-based memristive nonvolatile logic for large-scale in-memory computing architecture.

Sensitivity-Uncertainty Based Nuclear Criticality Safety Validation

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

Brown, Forrest B.

2016-09-20

These are slides from a seminar given to the University of Mexico Nuclear Engineering Department. Whisper is a statistical analysis package developed to support nuclear criticality safety validation. It uses the sensitivity profile data for an application as computed by MCNP6 along with covariance files for the nuclear data to determine a baseline upper-subcritical-limit for the application. Whisper and its associated benchmark files are developed and maintained as part of MCNP6, and will be distributed with all future releases of MCNP6. Although sensitivity-uncertainty methods for NCS validation have been under development for 20 years, continuous-energy Monte Carlo codes such asmore » MCNP could not determine the required adjoint-weighted tallies for sensitivity profiles. The recent introduction of the iterated fission probability method into MCNP led to the rapid development of sensitivity analysis capabilities for MCNP6 and the development of Whisper. Sensitivity-uncertainty based methods represent the future for NCS validation – making full use of today’s computer power to codify past approaches based largely on expert judgment. Validation results are defensible, auditable, and repeatable as needed with different assumptions and process models. The new methods can supplement, support, and extend traditional validation approaches.« less

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.

Finite element probabilistic risk assessment of transmission line insulation flashovers caused by lightning strokes

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

Bacvarov, D.C.

1981-01-01

A new method for probabilistic risk assessment of transmission line insulation flashovers caused by lightning strokes is presented. The utilized approach of applying the finite element method for probabilistic risk assessment is demonstrated to be very powerful. The reasons for this are two. First, the finite element method is inherently suitable for analysis of three dimensional spaces where the parameters, such as three variate probability densities of the lightning currents, are non-uniformly distributed. Second, the finite element method permits non-uniform discretization of the three dimensional probability spaces thus yielding high accuracy in critical regions, such as the area of themore » low probability events, while at the same time maintaining coarse discretization in the non-critical areas to keep the number of grid points and the size of the problem to a manageable low level. The finite element probabilistic risk assessment method presented here is based on a new multidimensional search algorithm. It utilizes an efficient iterative technique for finite element interpolation of the transmission line insulation flashover criteria computed with an electro-magnetic transients program. Compared to other available methods the new finite element probabilistic risk assessment method is significantly more accurate and approximately two orders of magnitude computationally more efficient. The method is especially suited for accurate assessment of rare, very low probability events.« less

Determination of Slope Safety Factor with Analytical Solution and Searching Critical Slip Surface with Genetic-Traversal Random Method

PubMed Central

2014-01-01

In the current practice, to determine the safety factor of a slope with two-dimensional circular potential failure surface, one of the searching methods for the critical slip surface is Genetic Algorithm (GA), while the method to calculate the slope safety factor is Fellenius' slices method. However GA needs to be validated with more numeric tests, while Fellenius' slices method is just an approximate method like finite element method. This paper proposed a new method to determine the minimum slope safety factor which is the determination of slope safety factor with analytical solution and searching critical slip surface with Genetic-Traversal Random Method. The analytical solution is more accurate than Fellenius' slices method. The Genetic-Traversal Random Method uses random pick to utilize mutation. A computer automatic search program is developed for the Genetic-Traversal Random Method. After comparison with other methods like slope/w software, results indicate that the Genetic-Traversal Random Search Method can give very low safety factor which is about half of the other methods. However the obtained minimum safety factor with Genetic-Traversal Random Search Method is very close to the lower bound solutions of slope safety factor given by the Ansys software. PMID:24782679

extrap: Software to assist the selection of extrapolation methods for moving-boat ADCP streamflow measurements

NASA Astrophysics Data System (ADS)

Mueller, David S.

2013-04-01

Selection of the appropriate extrapolation methods for computing the discharge in the unmeasured top and bottom parts of a moving-boat acoustic Doppler current profiler (ADCP) streamflow measurement is critical to the total discharge computation. The software tool, extrap, combines normalized velocity profiles from the entire cross section and multiple transects to determine a mean profile for the measurement. The use of an exponent derived from normalized data from the entire cross section is shown to be valid for application of the power velocity distribution law in the computation of the unmeasured discharge in a cross section. Selected statistics are combined with empirically derived criteria to automatically select the appropriate extrapolation methods. A graphical user interface (GUI) provides the user tools to visually evaluate the automatically selected extrapolation methods and manually change them, as necessary. The sensitivity of the total discharge to available extrapolation methods is presented in the GUI. Use of extrap by field hydrographers has demonstrated that extrap is a more accurate and efficient method of determining the appropriate extrapolation methods compared with tools currently (2012) provided in the ADCP manufacturers' software.

Multiresolution and Explicit Methods for Vector Field Analysis and Visualization

NASA Technical Reports Server (NTRS)

1996-01-01

We first report on our current progress in the area of explicit methods for tangent curve computation. The basic idea of this method is to decompose the domain into a collection of triangles (or tetrahedra) and assume linear variation of the vector field over each cell. With this assumption, the equations which define a tangent curve become a system of linear, constant coefficient ODE's which can be solved explicitly. There are five different representation of the solution depending on the eigenvalues of the Jacobian. The analysis of these five cases is somewhat similar to the phase plane analysis often associate with critical point classification within the context of topological methods, but it is not exactly the same. There are some critical differences. Moving from one cell to the next as a tangent curve is tracked, requires the computation of the exit point which is an intersection of the solution of the constant coefficient ODE and the edge of a triangle. There are two possible approaches to this root computation problem. We can express the tangent curve into parametric form and substitute into an implicit form for the edge or we can express the edge in parametric form and substitute in an implicit form of the tangent curve. Normally the solution of a system of ODE's is given in parametric form and so the first approach is the most accessible and straightforward. The second approach requires the 'implicitization' of these parametric curves. The implicitization of parametric curves can often be rather difficult, but in this case we have been successful and have been able to develop algorithms and subsequent computer programs for both approaches. We will give these details along with some comparisons in a forthcoming research paper on this topic.

Unconventional minimal subtraction and Bogoliubov-Parasyuk-Hepp-Zimmermann method: Massive scalar theory and critical exponents

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

Carvalho, Paulo R. S.; Leite, Marcelo M.

2013-09-15

We introduce a simpler although unconventional minimal subtraction renormalization procedure in the case of a massive scalar λφ{sup 4} theory in Euclidean space using dimensional regularization. We show that this method is very similar to its counterpart in massless field theory. In particular, the choice of using the bare mass at higher perturbative order instead of employing its tree-level counterpart eliminates all tadpole insertions at that order. As an application, we compute diagrammatically the critical exponents η and ν at least up to two loops. We perform an explicit comparison with the Bogoliubov-Parasyuk-Hepp-Zimmermann (BPHZ) method at the same loop order,more » show that the proposed method requires fewer diagrams and establish a connection between the two approaches.« less

Bubble nucleation in simple and molecular liquids via the largest spherical cavity method

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

Gonzalez, Miguel A., E-mail: m.gonzalez12@imperial.ac.uk; Department of Chemistry, Imperial College London, London SW7 2AZ; Abascal, José L. F.

2015-04-21

In this work, we propose a methodology to compute bubble nucleation free energy barriers using trajectories generated via molecular dynamics simulations. We follow the bubble nucleation process by means of a local order parameter, defined by the volume of the largest spherical cavity (LSC) formed in the nucleating trajectories. This order parameter simplifies considerably the monitoring of the nucleation events, as compared with the previous approaches which require ad hoc criteria to classify the atoms and molecules as liquid or vapor. The combination of the LSC and the mean first passage time technique can then be used to obtain themore » free energy curves. Upon computation of the cavity distribution function the nucleation rate and free-energy barrier can then be computed. We test our method against recent computations of bubble nucleation in simple liquids and water at negative pressures. We obtain free-energy barriers in good agreement with the previous works. The LSC method provides a versatile and computationally efficient route to estimate the volume of critical bubbles the nucleation rate and to compute bubble nucleation free-energies in both simple and molecular liquids.« less

Interaction Entropy: A New Paradigm for Highly Efficient and Reliable Computation of Protein-Ligand Binding Free Energy.

PubMed

Duan, Lili; Liu, Xiao; Zhang, John Z H

2016-05-04

Efficient and reliable calculation of protein-ligand binding free energy is a grand challenge in computational biology and is of critical importance in drug design and many other molecular recognition problems. The main challenge lies in the calculation of entropic contribution to protein-ligand binding or interaction systems. In this report, we present a new interaction entropy method which is theoretically rigorous, computationally efficient, and numerically reliable for calculating entropic contribution to free energy in protein-ligand binding and other interaction processes. Drastically different from the widely employed but extremely expensive normal mode method for calculating entropy change in protein-ligand binding, the new method calculates the entropic component (interaction entropy or -TΔS) of the binding free energy directly from molecular dynamics simulation without any extra computational cost. Extensive study of over a dozen randomly selected protein-ligand binding systems demonstrated that this interaction entropy method is both computationally efficient and numerically reliable and is vastly superior to the standard normal mode approach. This interaction entropy paradigm introduces a novel and intuitive conceptual understanding of the entropic effect in protein-ligand binding and other general interaction systems as well as a practical method for highly efficient calculation of this effect.

Near Real-Time Probabilistic Damage Diagnosis Using Surrogate Modeling and High Performance Computing

NASA Technical Reports Server (NTRS)

Warner, James E.; Zubair, Mohammad; Ranjan, Desh

2017-01-01

This work investigates novel approaches to probabilistic damage diagnosis that utilize surrogate modeling and high performance computing (HPC) to achieve substantial computational speedup. Motivated by Digital Twin, a structural health management (SHM) paradigm that integrates vehicle-specific characteristics with continual in-situ damage diagnosis and prognosis, the methods studied herein yield near real-time damage assessments that could enable monitoring of a vehicle's health while it is operating (i.e. online SHM). High-fidelity modeling and uncertainty quantification (UQ), both critical to Digital Twin, are incorporated using finite element method simulations and Bayesian inference, respectively. The crux of the proposed Bayesian diagnosis methods, however, is the reformulation of the numerical sampling algorithms (e.g. Markov chain Monte Carlo) used to generate the resulting probabilistic damage estimates. To this end, three distinct methods are demonstrated for rapid sampling that utilize surrogate modeling and exploit various degrees of parallelism for leveraging HPC. The accuracy and computational efficiency of the methods are compared on the problem of strain-based crack identification in thin plates. While each approach has inherent problem-specific strengths and weaknesses, all approaches are shown to provide accurate probabilistic damage diagnoses and several orders of magnitude computational speedup relative to a baseline Bayesian diagnosis implementation.

Superconducting critical temperature under pressure

NASA Astrophysics Data System (ADS)

González-Pedreros, G. I.; Baquero, R.

2018-05-01

The present record on the critical temperature of a superconductor is held by sulfur hydride (approx. 200 K) under very high pressure (approx. 56 GPa.). As a consequence, the dependence of the superconducting critical temperature on pressure became a subject of great interest and a high number of papers on of different aspects of this subject have been published in the scientific literature since. In this paper, we calculate the superconducting critical temperature as a function of pressure, Tc(P), by a simple method. Our method is based on the functional derivative of the critical temperature with the Eliashberg function, δTc(P)/δα2F(ω). We obtain the needed coulomb electron-electron repulsion parameter, μ*(P) at each pressure in a consistent way by fitting it to the corresponding Tc using the linearized Migdal-Eliashberg equation. This method requires as input the knowledge of Tc at the starting pressure only. It applies to superconductors for which the Migdal-Eliashberg equations hold. We study Al and β - Sn two weak-coupling low-Tc superconductors and Nb, the strong coupling element with the highest critical temperature. For Al, our results for Tc(P) show an excellent agreement with the calculations of Profeta et al. which are known to agree well with experiment. For β - Sn and Nb, we found a good agreement with the experimental measurements reported in several works. This method has also been applied successfully to PdH elsewhere. Our method is simple, computationally light and gives very accurate results.

Combination of ray-tracing and the method of moments for electromagnetic radiation analysis using reduced meshes

NASA Astrophysics Data System (ADS)

Delgado, Carlos; Cátedra, Manuel Felipe

2018-05-01

This work presents a technique that allows a very noticeable relaxation of the computational requirements for full-wave electromagnetic simulations based on the Method of Moments. A ray-tracing analysis of the geometry is performed in order to extract the critical points with significant contributions. These points are then used to generate a reduced mesh, considering the regions of the geometry that surround each critical point and taking into account the electrical path followed from the source. The electromagnetic analysis of the reduced mesh produces very accurate results, requiring a fraction of the resources that the conventional analysis would utilize.

Ensuring critical event sequences in high consequence computer based systems as inspired by path expressions

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

Kidd, M.E.C.

1997-02-01

The goal of our work is to provide a high level of confidence that critical software driven event sequences are maintained in the face of hardware failures, malevolent attacks and harsh or unstable operating environments. This will be accomplished by providing dynamic fault management measures directly to the software developer and to their varied development environments. The methodology employed here is inspired by previous work in path expressions. This paper discusses the perceived problems, a brief overview of path expressions, the proposed methods, and a discussion of the differences between the proposed methods and traditional path expression usage and implementation.

Theoretical Study of the Electric Dipole Moment Function of the CIO Molecule

NASA Technical Reports Server (NTRS)

Pettersson, Lars G. M.; Langhoff, Stephen R.; Chong, Delano P.

1986-01-01

The potential energy function and electric dipole moment function (EDMF) are computed for CIO Chi(sup 2)Pi using several different techniques to include electron correlation. The EDMF is used to compute Einstein coefficients, vibrational lifetimes, and dipole moments in higher vibrational levels. Remaining questions concerning the position of the maximum of the EDMF may be resolved through experimental measurement of dipole moments of higher vibrational levels. The band strength of the 1-0 fundamental transition is computed to be 12 +/- 2 /sq cm atm in good agreement with three experimental values, but larger than a recent value of 5 /sq cm atm determined from infrared heterodyne spectroscopy. The theoretical methods used include SCF, CASSCF, multireference singles plus doubles configuration interaction (MRCI) and contracted CI, coupled pair functional (CPF), and a modified version of the CPF method. The results obtained using the different methods are critically compared.

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

Cardiorespiratory Variability and Synchronization in Critical Illness

DTIC Science & Technology

2008-03-08

Sedating drugs routinely prescribed to relieve patient anxiety were discontinued prior to the data collection. All patients were awake and responsive to...P.; Tarvainen, M. P.; Ranta-Aho, P. O.; Karjalainen, P. A. Software for advanced HRV analysis. Computer Methods and Programs in Biomedicine 2004

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

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

Clustering analysis of water distribution systems: identifying critical components and community impacts.

PubMed

Diao, K; Farmani, R; Fu, G; Astaraie-Imani, M; Ward, S; Butler, D

2014-01-01

Large water distribution systems (WDSs) are networks with both topological and behavioural complexity. Thereby, it is usually difficult to identify the key features of the properties of the system, and subsequently all the critical components within the system for a given purpose of design or control. One way is, however, to more explicitly visualize the network structure and interactions between components by dividing a WDS into a number of clusters (subsystems). Accordingly, this paper introduces a clustering strategy that decomposes WDSs into clusters with stronger internal connections than external connections. The detected cluster layout is very similar to the community structure of the served urban area. As WDSs may expand along with urban development in a community-by-community manner, the correspondingly formed distribution clusters may reveal some crucial configurations of WDSs. For verification, the method is applied to identify all the critical links during firefighting for the vulnerability analysis of a real-world WDS. Moreover, both the most critical pipes and clusters are addressed, given the consequences of pipe failure. Compared with the enumeration method, the method used in this study identifies the same group of the most critical components, and provides similar criticality prioritizations of them in a more computationally efficient time.

Robust numerical solution of the reservoir routing equation

NASA Astrophysics Data System (ADS)

Fiorentini, Marcello; Orlandini, Stefano

2013-09-01

The robustness of numerical methods for the solution of the reservoir routing equation is evaluated. The methods considered in this study are: (1) the Laurenson-Pilgrim method, (2) the fourth-order Runge-Kutta method, and (3) the fixed order Cash-Karp method. Method (1) is unable to handle nonmonotonic outflow rating curves. Method (2) is found to fail under critical conditions occurring, especially at the end of inflow recession limbs, when large time steps (greater than 12 min in this application) are used. Method (3) is computationally intensive and it does not solve the limitations of method (2). The limitations of method (2) can be efficiently overcome by reducing the time step in the critical phases of the simulation so as to ensure that water level remains inside the domains of the storage function and the outflow rating curve. The incorporation of a simple backstepping procedure implementing this control into the method (2) yields a robust and accurate reservoir routing method that can be safely used in distributed time-continuous catchment models.

A Systems Engineering Framework for Implementing a Security and Critical Patch Management Process in Diverse Environments (Academic Departments' Workstations)

NASA Astrophysics Data System (ADS)

Mohammadi, Hadi

Use of the Patch Vulnerability Management (PVM) process should be seriously considered for any networked computing system. The PVM process prevents the operating system (OS) and software applications from being attacked due to security vulnerabilities, which lead to system failures and critical data leakage. The purpose of this research is to create and design a Security and Critical Patch Management Process (SCPMP) framework based on Systems Engineering (SE) principles. This framework will assist Information Technology Department Staff (ITDS) to reduce IT operating time and costs and mitigate the risk of security and vulnerability attacks. Further, this study evaluates implementation of the SCPMP in the networked computing systems of an academic environment in order to: 1. Meet patch management requirements by applying SE principles. 2. Reduce the cost of IT operations and PVM cycles. 3. Improve the current PVM methodologies to prevent networked computing systems from becoming the targets of security vulnerability attacks. 4. Embed a Maintenance Optimization Tool (MOT) in the proposed framework. The MOT allows IT managers to make the most practicable choice of methods for deploying and installing released patches and vulnerability remediation. In recent years, there has been a variety of frameworks for security practices in every networked computing system to protect computer workstations from becoming compromised or vulnerable to security attacks, which can expose important information and critical data. I have developed a new mechanism for implementing PVM for maximizing security-vulnerability maintenance, protecting OS and software packages, and minimizing SCPMP cost. To increase computing system security in any diverse environment, particularly in academia, one must apply SCPMP. I propose an optimal maintenance policy that will allow ITDS to measure and estimate the variation of PVM cycles based on their department's requirements. My results demonstrate that MOT optimizes the process of implementing SCPMP in academic workstations.

Parallel computation of multigroup reactivity coefficient using iterative method

NASA Astrophysics Data System (ADS)

Susmikanti, Mike; Dewayatna, Winter

2013-09-01

One of the research activities to support the commercial radioisotope production program is a safety research target irradiation FPM (Fission Product Molybdenum). FPM targets form a tube made of stainless steel in which the nuclear degrees of superimposed high-enriched uranium. FPM irradiation tube is intended to obtain fission. The fission material widely used in the form of kits in the world of nuclear medicine. Irradiation FPM tube reactor core would interfere with performance. One of the disorders comes from changes in flux or reactivity. It is necessary to study a method for calculating safety terrace ongoing configuration changes during the life of the reactor, making the code faster became an absolute necessity. Neutron safety margin for the research reactor can be reused without modification to the calculation of the reactivity of the reactor, so that is an advantage of using perturbation method. The criticality and flux in multigroup diffusion model was calculate at various irradiation positions in some uranium content. This model has a complex computation. Several parallel algorithms with iterative method have been developed for the sparse and big matrix solution. The Black-Red Gauss Seidel Iteration and the power iteration parallel method can be used to solve multigroup diffusion equation system and calculated the criticality and reactivity coeficient. This research was developed code for reactivity calculation which used one of safety analysis with parallel processing. It can be done more quickly and efficiently by utilizing the parallel processing in the multicore computer. This code was applied for the safety limits calculation of irradiated targets FPM with increment Uranium.

Modelling DC responses of 3D complex fracture networks

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

Beskardes, Gungor Didem; Weiss, Chester Joseph

Here, the determination of the geometrical properties of fractures plays a critical role in many engineering problems to assess the current hydrological and mechanical states of geological media and to predict their future states. However, numerical modeling of geoelectrical responses in realistic fractured media has been challenging due to the explosive computational cost imposed by the explicit discretizations of fractures at multiple length scales, which often brings about a tradeoff between computational efficiency and geologic realism. Here, we use the hierarchical finite element method to model electrostatic response of realistically complex 3D conductive fracture networks with minimal computational cost.

Modelling DC responses of 3D complex fracture networks

DOE PAGES

Beskardes, Gungor Didem; Weiss, Chester Joseph

2018-03-01

Here, the determination of the geometrical properties of fractures plays a critical role in many engineering problems to assess the current hydrological and mechanical states of geological media and to predict their future states. However, numerical modeling of geoelectrical responses in realistic fractured media has been challenging due to the explosive computational cost imposed by the explicit discretizations of fractures at multiple length scales, which often brings about a tradeoff between computational efficiency and geologic realism. Here, we use the hierarchical finite element method to model electrostatic response of realistically complex 3D conductive fracture networks with minimal computational cost.

Experimental magic state distillation for fault-tolerant quantum computing.

PubMed

Souza, Alexandre M; Zhang, Jingfu; Ryan, Colm A; Laflamme, Raymond

2011-01-25

Any physical quantum device for quantum information processing (QIP) is subject to errors in implementation. In order to be reliable and efficient, quantum computers will need error-correcting or error-avoiding methods. Fault-tolerance achieved through quantum error correction will be an integral part of quantum computers. Of the many methods that have been discovered to implement it, a highly successful approach has been to use transversal gates and specific initial states. A critical element for its implementation is the availability of high-fidelity initial states, such as |0〉 and the 'magic state'. Here, we report an experiment, performed in a nuclear magnetic resonance (NMR) quantum processor, showing sufficient quantum control to improve the fidelity of imperfect initial magic states by distilling five of them into one with higher fidelity.

Computational aero-acoustics for fan duct propagation and radiation. Current status and application to turbofan liner optimisation

NASA Astrophysics Data System (ADS)

Astley, R. J.; Sugimoto, R.; Mustafi, P.

2011-08-01

Novel techniques are presented to reduce noise from turbofan aircraft engines by optimising the acoustic treatment in engine ducts. The application of Computational Aero-Acoustics (CAA) to predict acoustic propagation and absorption in turbofan ducts is reviewed and a critical assessment of performance indicates that validated and accurate techniques are now available for realistic engine predictions. A procedure for integrating CAA methods with state of the art optimisation techniques is proposed in the remainder of the article. This is achieved by embedding advanced computational methods for noise prediction within automated and semi-automated optimisation schemes. Two different strategies are described and applied to realistic nacelle geometries and fan sources to demonstrate the feasibility of this approach for industry scale problems.

Computational techniques for ECG analysis and interpretation in light of their contribution to medical advances

PubMed Central

Mincholé, Ana; Martínez, Juan Pablo; Laguna, Pablo; Rodriguez, Blanca

2018-01-01

Widely developed for clinical screening, electrocardiogram (ECG) recordings capture the cardiac electrical activity from the body surface. ECG analysis can therefore be a crucial first step to help diagnose, understand and predict cardiovascular disorders responsible for 30% of deaths worldwide. Computational techniques, and more specifically machine learning techniques and computational modelling are powerful tools for classification, clustering and simulation, and they have recently been applied to address the analysis of medical data, especially ECG data. This review describes the computational methods in use for ECG analysis, with a focus on machine learning and 3D computer simulations, as well as their accuracy, clinical implications and contributions to medical advances. The first section focuses on heartbeat classification and the techniques developed to extract and classify abnormal from regular beats. The second section focuses on patient diagnosis from whole recordings, applied to different diseases. The third section presents real-time diagnosis and applications to wearable devices. The fourth section highlights the recent field of personalized ECG computer simulations and their interpretation. Finally, the discussion section outlines the challenges of ECG analysis and provides a critical assessment of the methods presented. The computational methods reported in this review are a strong asset for medical discoveries and their translation to the clinical world may lead to promising advances. PMID:29321268

Construction of multi-agent mobile robots control system in the problem of persecution with using a modified reinforcement learning method based on neural networks

NASA Astrophysics Data System (ADS)

Patkin, M. L.; Rogachev, G. N.

2018-02-01

A method for constructing a multi-agent control system for mobile robots based on training with reinforcement using deep neural networks is considered. Synthesis of the management system is proposed to be carried out with reinforcement training and the modified Actor-Critic method, in which the Actor module is divided into Action Actor and Communication Actor in order to simultaneously manage mobile robots and communicate with partners. Communication is carried out by sending partners at each step a vector of real numbers that are added to the observation vector and affect the behaviour. Functions of Actors and Critic are approximated by deep neural networks. The Critics value function is trained by using the TD-error method and the Actor’s function by using DDPG. The Communication Actor’s neural network is trained through gradients received from partner agents. An environment in which a cooperative multi-agent interaction is present was developed, computer simulation of the application of this method in the control problem of two robots pursuing two goals was carried out.

Adjoint-Based Sensitivity and Uncertainty Analysis for Density and Composition: A User’s Guide

DOE PAGES

Favorite, Jeffrey A.; Perko, Zoltan; Kiedrowski, Brian C.; ...

2017-03-01

The ability to perform sensitivity analyses using adjoint-based first-order sensitivity theory has existed for decades. This paper provides guidance on how adjoint sensitivity methods can be used to predict the effect of material density and composition uncertainties in critical experiments, including when these uncertain parameters are correlated or constrained. Two widely used Monte Carlo codes, MCNP6 (Ref. 2) and SCALE 6.2 (Ref. 3), are both capable of computing isotopic density sensitivities in continuous energy and angle. Additionally, Perkó et al. have shown how individual isotope density sensitivities, easily computed using adjoint methods, can be combined to compute constrained first-order sensitivitiesmore » that may be used in the uncertainty analysis. This paper provides details on how the codes are used to compute first-order sensitivities and how the sensitivities are used in an uncertainty analysis. Constrained first-order sensitivities are computed in a simple example problem.« less

None but Ourselves Can Free Our Minds: Critical Computational Literacy as a Pedagogy of Resistance

ERIC Educational Resources Information Center

Lee, Clifford H.; Soep, Elisabeth

2016-01-01

Critical computational literacy (CCL) is a new pedagogical and conceptual framework that combines the strengths of critical literacy and computational thinking. Through CCL, young people conceptualize, create, and disseminate digital projects that break silences, expose important truths, and challenge unjust systems, all the while building skills…

A single network adaptive critic (SNAC) architecture for optimal control synthesis for a class of nonlinear systems.

PubMed

Padhi, Radhakant; Unnikrishnan, Nishant; Wang, Xiaohua; Balakrishnan, S N

2006-12-01

Even though dynamic programming offers an optimal control solution in a state feedback form, the method is overwhelmed by computational and storage requirements. Approximate dynamic programming implemented with an Adaptive Critic (AC) neural network structure has evolved as a powerful alternative technique that obviates the need for excessive computations and storage requirements in solving optimal control problems. In this paper, an improvement to the AC architecture, called the "Single Network Adaptive Critic (SNAC)" is presented. This approach is applicable to a wide class of nonlinear systems where the optimal control (stationary) equation can be explicitly expressed in terms of the state and costate variables. The selection of this terminology is guided by the fact that it eliminates the use of one neural network (namely the action network) that is part of a typical dual network AC setup. As a consequence, the SNAC architecture offers three potential advantages: a simpler architecture, lesser computational load and elimination of the approximation error associated with the eliminated network. In order to demonstrate these benefits and the control synthesis technique using SNAC, two problems have been solved with the AC and SNAC approaches and their computational performances are compared. One of these problems is a real-life Micro-Electro-Mechanical-system (MEMS) problem, which demonstrates that the SNAC technique is applicable to complex engineering systems.

DEVELOPMENT OF A MODEL THAT CONTAINS BOTH MULTIPOLE MOMENTS AND GAUSSIANS FOR THE CALCULATION OF MOLECULAR ELECTROSTATIC POTENTIALS

EPA Science Inventory

The electrostatic interaction is a critical component of intermolecular interactions in biological processes. Rapid methods for the computation and characterization of the molecular electrostatic potential (MEP) that segment the molecular charge distribution and replace this cont...

Fully probabilistic control design in an adaptive critic framework.

PubMed

Herzallah, Randa; Kárný, Miroslav

2011-12-01

Optimal stochastic controller pushes the closed-loop behavior as close as possible to the desired one. The fully probabilistic design (FPD) uses probabilistic description of the desired closed loop and minimizes Kullback-Leibler divergence of the closed-loop description to the desired one. Practical exploitation of the fully probabilistic design control theory continues to be hindered by the computational complexities involved in numerically solving the associated stochastic dynamic programming problem; in particular, very hard multivariate integration and an approximate interpolation of the involved multivariate functions. This paper proposes a new fully probabilistic control algorithm that uses the adaptive critic methods to circumvent the need for explicitly evaluating the optimal value function, thereby dramatically reducing computational requirements. This is a main contribution of this paper. Copyright © 2011 Elsevier Ltd. All rights reserved.

Probabilistic Structural Analysis Methods for select space propulsion system components (PSAM). Volume 3: Literature surveys and technical reports

NASA Technical Reports Server (NTRS)

1992-01-01

The technical effort and computer code developed during the first year are summarized. Several formulations for Probabilistic Finite Element Analysis (PFEA) are described with emphasis on the selected formulation. The strategies being implemented in the first-version computer code to perform linear, elastic PFEA is described. The results of a series of select Space Shuttle Main Engine (SSME) component surveys are presented. These results identify the critical components and provide the information necessary for probabilistic structural analysis.

(abstract) A Comparison Between Measurements of the F-layer Critical Frequency and Values Derived from the PRISM Adjustment Algorithm Applied to Total Electron Content Data in the Equatorial Region

NASA Technical Reports Server (NTRS)

Mannucci, A. J.; Anderson, D. N.; Abdu, A. M.

1994-01-01

The Parametrized Real-Time Ionosphere Specification Model (PRISM) is a global ionospheric specification model that can incorporate real-time data to compute accurate electron density profiles. Time series of computed and measured data are compared in this paper. This comparison can be used to suggest methods of optimizing the PRISM adjustment algorithm for TEC data obtained at low altitudes.

Sizing Single Cantilever Beam Specimens for Characterizing Facesheet/Core Peel Debonding in Sandwich Structure

NASA Technical Reports Server (NTRS)

Ratcliffe, James G.

2010-01-01

This paper details part of an effort focused on the development of a standardized facesheet/core peel debonding test procedure. The purpose of the test is to characterize facesheet/core peel in sandwich structure, accomplished through the measurement of the critical strain energy release rate associated with the debonding process. The specific test method selected for the standardized test procedure utilizes a single cantilever beam (SCB) specimen configuration. The objective of the current work is to develop a method for establishing SCB specimen dimensions. This is achieved by imposing specific limitations on specimen dimensions, with the objectives of promoting a linear elastic specimen response, and simplifying the data reduction method required for computing the critical strain energy release rate associated with debonding. The sizing method is also designed to be suitable for incorporation into a standardized test protocol. Preliminary application of the resulting sizing method yields practical specimen dimensions.

Report on the 2011 Critical Assessment of Function Annotation (CAFA) meeting

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

Friedberg, Iddo

2015-01-21

The Critical Assessment of Function Annotation meeting was held July 14-15, 2011 at the Austria Conference Center in Vienna, Austria. There were 73 registered delegates at the meeting. We thank the DOE for this award. It helped us organize and support a scientific meeting AFP 2011 as a special interest group (SIG) meeting associated with the ISMB 2011 conference. The conference was held in Vienna, Austria, in July 2011. The AFP SIG was held on July 15-16, 2011 (immediately preceding the conference). The meeting consisted of two components, the first being a series of talks (invited and contributed) and discussionmore » sections dedicated to protein function research, with an emphasis on the theory and practice of computational methods utilized in functional annotation. The second component provided a large-scale assessment of computational methods through participation in the Critical Assessment of Functional Annotation (CAFA). The meeting was exciting and, based on feedback, quite successful. There were 73 registered participants. The schedule was only slightly different from the one proposed, due to two cancellations. Dr. Olga Troyanskaya has canceled and we invited Dr. David Jones instead. Similarly, instead of Dr. Richard Roberts, Dr. Simon Kasif gave a closing keynote. The remaining invited speakers were Janet Thornton (EBI) and Amos Bairoch (University of Geneva).« less

Calibrated Peer Review for Computer-Assisted Learning of Biological Research Competencies

ERIC Educational Resources Information Center

Clase, Kari L.; Gundlach, Ellen; Pelaez, Nancy J.

2010-01-01

Recently, both science and technology faculty have been recognizing biological research competencies that are valued but rarely assessed. Some of these valued learning outcomes include scientific methods and thinking, critical assessment of primary papers, quantitative reasoning, communication, and putting biological research into a historical and…

Learning Gains and Response to Digital Lessons on Soil Genesis and Development

USDA-ARS?s Scientific Manuscript database

Evolving computer technology offers opportunities for new online approaches in teaching methods and delivery. Well-designed online lessons should reinforce the critical need of the soil science discipline in today’s food, energy, and environmental issues, as well as meet the needs of the diverse cli...

Reducing Incongruity of Perceptions Related to Information Risk: Dialogical Action Research in Organizations

ERIC Educational Resources Information Center

Sedlack, Derek J.

2012-01-01

A critical overreliance on the technical dimension of information security has recently shifted toward more robust, organizationally focused information security methods to countermand $54 billion lost from computer security incidents. Developing a more balanced approach is required since protecting information is not an all or nothing…

14 CFR 27.725 - Limit drop test.

Code of Federal Regulations, 2010 CFR

2010-01-01

...) Each landing gear unit must be tested in the attitude simulating the landing condition that is most... rotorcraft in the most critical attitude. A rational method may be used in computing a main gear static... with the rotorcraft in the maximum nose-up attitude considered in the nose-up landing conditions. h...

Computational Methods for MOF/Polymer Membranes.

PubMed

Erucar, Ilknur; Keskin, Seda

2016-04-01

Metal-organic framework (MOF)/polymer mixed matrix membranes (MMMs) have received significant interest in the last decade. MOFs are incorporated into polymers to make MMMs that exhibit improved gas permeability and selectivity compared with pure polymer membranes. The fundamental challenge in this area is to choose the appropriate MOF/polymer combinations for a gas separation of interest. Even if a single polymer is considered, there are thousands of MOFs that could potentially be used as fillers in MMMs. As a result, there has been a large demand for computational studies that can accurately predict the gas separation performance of MOF/polymer MMMs prior to experiments. We have developed computational approaches to assess gas separation potentials of MOF/polymer MMMs and used them to identify the most promising MOF/polymer pairs. In this Personal Account, we aim to provide a critical overview of current computational methods for modeling MOF/polymer MMMs. We give our perspective on the background, successes, and failures that led to developments in this area and discuss the opportunities and challenges of using computational methods for MOF/polymer MMMs. © 2016 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Effective field renormalization group approach for Ising lattice spin systems

NASA Astrophysics Data System (ADS)

Fittipaldi, Ivon P.

1994-03-01

A new applicable real-space renormalization group framework (EFRG) for computing the critical properties of Ising lattice spin systems is presented. The method, which follows up the same strategy of the mean-field renormalization group scheme (MFRG), is based on rigorous Ising spin identities and utilizes a convenient differential operator expansion technique. Within this scheme, in contrast with the usual mean-field type of equation of state, all the relevant self-spin correlations are taken exactly into account. The results for the critical coupling and the critical exponent v, for the correlation length, are very satisfactory and it is shown that this technique leads to rather accurate results which represent a remarkable improvement on those obtained from the standard MFRG method. In particular, it is shown that the present EFRG approach correctly distinguishes the geometry of the lattice structure even when employing its simplest size-cluster version. Owing to its simplicity we also comment on the wide applicability of the present method to problems in crystalline and disordered Ising spin systems.

Interactive videodisc instruction is an alternative method for learning and performing a critical nursing skill.

PubMed

DeAmicis, P A

1997-01-01

A study was conducted to compare the effectiveness of interactive videodisc instruction (IVDI) with the traditional lecture/demonstration as an alternative method for learning and performing a critical nursing skill. Students were assigned randomly to a treatment group that worked in small groups to complete the IVDI on intravenous therapy skills and a control group receiving the same content in a classroom lecture/demonstration format. After the instruction, each subject performed a re-demonstration of the learned skills using specific guidelines. Results revealed that although the IVDI group scored higher on the overall re-demonstration, there was no significant difference in the ability of the two groups to effectively perform this critical nursing skill. These findings support the use of IVDI as an alternative self-paced, independent study method for learning psychomotor skills and are consistent with previous studies, which indicate that working in small groups on the computer has a positive effect on self-efficacy and achievement.

Efficient numerical methods for the random-field Ising model: Finite-size scaling, reweighting extrapolation, and computation of response functions.

PubMed

Fytas, Nikolaos G; Martín-Mayor, Víctor

2016-06-01

It was recently shown [Phys. Rev. Lett. 110, 227201 (2013)PRLTAO0031-900710.1103/PhysRevLett.110.227201] that the critical behavior of the random-field Ising model in three dimensions is ruled by a single universality class. This conclusion was reached only after a proper taming of the large scaling corrections of the model by applying a combined approach of various techniques, coming from the zero- and positive-temperature toolboxes of statistical physics. In the present contribution we provide a detailed description of this combined scheme, explaining in detail the zero-temperature numerical scheme and developing the generalized fluctuation-dissipation formula that allowed us to compute connected and disconnected correlation functions of the model. We discuss the error evolution of our method and we illustrate the infinite limit-size extrapolation of several observables within phenomenological renormalization. We present an extension of the quotients method that allows us to obtain estimates of the critical exponent α of the specific heat of the model via the scaling of the bond energy and we discuss the self-averaging properties of the system and the algorithmic aspects of the maximum-flow algorithm used.

Radionuclide evaluation of left ventricular function with nonimaging probes.

PubMed

Wexler, J P; Blaufox, M D

1979-10-01

Portable nonimaging probes have been developed that can evaluate left ventricular function using radionuclide techniques. Two modes of data acquisition are possible with these probe systems, first-pass and gated. Precordial radiocardiograms obtained after a bolus injection can be used to determine cardiac output, pulmonary transit time, pulmonary blood volume, left ventricle ejection fraction, and left-to-right shunts. Gated techniques can be used to determine left ventricular ejection fraction and sytolic time intervals. Probe-determined indices of left ventricular function agree excellently with comparable measurements determined by conventional camera-computer methods as well as by invasive techniques. These have begun to be used in a preliminary manner in a variety of clinical problems associated with left ventricular dysfunction. This review discusses the types of probe systems available, the methods used in positioning them, and details the specifics of their data acquisition and processing capacity. The major criticisms of probe methods are that they are nonimaging and that they measure global rather than regional left ventricular function. In spite of these criticisms, probe systems, because of their portability, high sensitivity, and relatively low cost are useful supplements to conventional camera-computer systems for the measurement of parameters of left ventricular performance using radionuclide techniques.

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.

A hybrid parallel architecture for electrostatic interactions in the simulation of dissipative particle dynamics

NASA Astrophysics Data System (ADS)

Yang, Sheng-Chun; Lu, Zhong-Yuan; Qian, Hu-Jun; Wang, Yong-Lei; Han, Jie-Ping

2017-11-01

In this work, we upgraded the electrostatic interaction method of CU-ENUF (Yang, et al., 2016) which first applied CUNFFT (nonequispaced Fourier transforms based on CUDA) to the reciprocal-space electrostatic computation and made the computation of electrostatic interaction done thoroughly in GPU. The upgraded edition of CU-ENUF runs concurrently in a hybrid parallel way that enables the computation parallelizing on multiple computer nodes firstly, then further on the installed GPU in each computer. By this parallel strategy, the size of simulation system will be never restricted to the throughput of a single CPU or GPU. The most critical technical problem is how to parallelize a CUNFFT in the parallel strategy, which is conquered effectively by deep-seated research of basic principles and some algorithm skills. Furthermore, the upgraded method is capable of computing electrostatic interactions for both the atomistic molecular dynamics (MD) and the dissipative particle dynamics (DPD). Finally, the benchmarks conducted for validation and performance indicate that the upgraded method is able to not only present a good precision when setting suitable parameters, but also give an efficient way to compute electrostatic interactions for huge simulation systems. Program Files doi:http://dx.doi.org/10.17632/zncf24fhpv.1 Licensing provisions: GNU General Public License 3 (GPL) Programming language: C, C++, and CUDA C Supplementary material: The program is designed for effective electrostatic interactions of large-scale simulation systems, which runs on particular computers equipped with NVIDIA GPUs. It has been tested on (a) single computer node with Intel(R) Core(TM) i7-3770@ 3.40 GHz (CPU) and GTX 980 Ti (GPU), and (b) MPI parallel computer nodes with the same configurations. Nature of problem: For molecular dynamics simulation, the electrostatic interaction is the most time-consuming computation because of its long-range feature and slow convergence in simulation space, which approximately take up most of the total simulation time. Although the parallel method CU-ENUF (Yang et al., 2016) based on GPU has achieved a qualitative leap compared with previous methods in electrostatic interactions computation, the computation capability is limited to the throughput capacity of a single GPU for super-scale simulation system. Therefore, we should look for an effective method to handle the calculation of electrostatic interactions efficiently for a simulation system with super-scale size. Solution method: We constructed a hybrid parallel architecture, in which CPU and GPU are combined to accelerate the electrostatic computation effectively. Firstly, the simulation system is divided into many subtasks via domain-decomposition method. Then MPI (Message Passing Interface) is used to implement the CPU-parallel computation with each computer node corresponding to a particular subtask, and furthermore each subtask in one computer node will be executed in GPU in parallel efficiently. In this hybrid parallel method, the most critical technical problem is how to parallelize a CUNFFT (nonequispaced fast Fourier transform based on CUDA) in the parallel strategy, which is conquered effectively by deep-seated research of basic principles and some algorithm skills. Restrictions: The HP-ENUF is mainly oriented to super-scale system simulations, in which the performance superiority is shown adequately. However, for a small simulation system containing less than 106 particles, the mode of multiple computer nodes has no apparent efficiency advantage or even lower efficiency due to the serious network delay among computer nodes, than the mode of single computer node. References: (1) S.-C. Yang, H.-J. Qian, Z.-Y. Lu, Appl. Comput. Harmon. Anal. 2016, http://dx.doi.org/10.1016/j.acha.2016.04.009. (2) S.-C. Yang, Y.-L. Wang, G.-S. Jiao, H.-J. Qian, Z.-Y. Lu, J. Comput. Chem. 37 (2016) 378. (3) S.-C. Yang, Y.-L. Zhu, H.-J. Qian, Z.-Y. Lu, Appl. Chem. Res. Chin. Univ., 2017, http://dx.doi.org/10.1007/s40242-016-6354-5. (4) Y.-L. Zhu, H. Liu, Z.-W. Li, H.-J. Qian, G. Milano, Z.-Y. Lu, J. Comput. Chem. 34 (2013) 2197.

A multi-time-step noise reduction method for measuring velocity statistics from particle tracking velocimetry

NASA Astrophysics Data System (ADS)

Machicoane, Nathanaël; López-Caballero, Miguel; Bourgoin, Mickael; Aliseda, Alberto; Volk, Romain

2017-10-01

We present a method to improve the accuracy of velocity measurements for fluid flow or particles immersed in it, based on a multi-time-step approach that allows for cancellation of noise in the velocity measurements. Improved velocity statistics, a critical element in turbulent flow measurements, can be computed from the combination of the velocity moments computed using standard particle tracking velocimetry (PTV) or particle image velocimetry (PIV) techniques for data sets that have been collected over different values of time intervals between images. This method produces Eulerian velocity fields and Lagrangian velocity statistics with much lower noise levels compared to standard PIV or PTV measurements, without the need of filtering and/or windowing. Particle displacement between two frames is computed for multiple different time-step values between frames in a canonical experiment of homogeneous isotropic turbulence. The second order velocity structure function of the flow is computed with the new method and compared to results from traditional measurement techniques in the literature. Increased accuracy is also demonstrated by comparing the dissipation rate of turbulent kinetic energy measured from this function against previously validated measurements.

Usability of an Adaptive Computer Assistant that Improves Self-care and Health Literacy of Older Adults

PubMed Central

Blanson Henkemans, O. A.; Rogers, W. A.; Fisk, A. D.; Neerincx, M. A.; Lindenberg, J.; van der Mast, C. A. P. G.

2014-01-01

Summary Objectives We developed an adaptive computer assistant for the supervision of diabetics’ self-care, to support limiting illness and need for acute treatment, and improve health literacy. This assistant monitors self-care activities logged in the patient’s electronic diary. Accordingly, it provides context-aware feedback. The objective was to evaluate whether older adults in general can make use of the computer assistant and to compare an adaptive computer assistant with a fixed one, concerning its usability and contribution to health literacy. Methods We conducted a laboratory experiment in the Georgia Tech Aware Home wherein 28 older adults participated in a usability evaluation of the computer assistant, while engaged in scenarios reflecting normal and health-critical situations. We evaluated the assistant on effectiveness, efficiency, satisfaction, and educational value. Finally, we studied the moderating effects of the subjects’ personal characteristics. Results Logging self-care tasks and receiving feedback from the computer assistant enhanced the subjects’ knowledge of diabetes. The adaptive assistant was more effective in dealing with normal and health-critical situations, and, generally, it led to more time efficiency. Subjects’ personal characteristics had substantial effects on the effectiveness and efficiency of the two computer assistants. Conclusions Older adults were able to use the adaptive computer assistant. In addition, it had a positive effect on the development of health literacy. The assistant has the potential to support older diabetics’ self care while maintaining quality of life. PMID:18213433

Distributed-Lagrange-Multiplier-based computational method for particulate flow with collisions

NASA Astrophysics Data System (ADS)

Ardekani, Arezoo; Rangel, Roger

2006-11-01

A Distributed-Lagrange-Multiplier-based computational method is developed for colliding particles in a solid-fluid system. A numerical simulation is conducted in two dimensions using the finite volume method. The entire domain is treated as a fluid but the fluid in the particle domains satisfies a rigidity constraint. We present an efficient method for predicting the collision between particles. In earlier methods, a repulsive force was applied to the particles when their distance was less than a critical value. In this method, an impulsive force is computed. During the frictionless collision process between two particles, linear momentum is conserved while the tangential forces are zero. Thus, instead of satisfying a condition of rigid body motion for each particle separately, as done when particles are not in contact, both particles are rigidified together along their line of centers. Particles separate from each other when the impulsive force is less than zero and after this time, a rigidity constraint is satisfied for each particle separately. Grid independency is implemented to ensure the accuracy of the numerical simulation. A comparison between this method and previous collision strategies is presented and discussed.

Detecting the tipping points in a three-state model of complex diseases by temporal differential networks.

PubMed

Chen, Pei; Li, Yongjun; Liu, Xiaoping; Liu, Rui; Chen, Luonan

2017-10-26

The progression of complex diseases, such as diabetes and cancer, is generally a nonlinear process with three stages, i.e., normal state, pre-disease state, and disease state, where the pre-disease state is a critical state or tipping point immediately preceding the disease state. Traditional biomarkers aim to identify a disease state by exploiting the information of differential expressions for the observed molecules, but may fail to detect a pre-disease state because there are generally little significant differences between the normal and pre-disease states. Thus, it is challenging to signal the pre-disease state, which actually implies the disease prediction. In this work, by exploiting the information of differential associations among the observed molecules between the normal and pre-disease states, we propose a temporal differential network based computational method to accurately signal the pre-disease state or predict the occurrence of severe disease. The theoretical foundation of this work is the quantification of the critical state using dynamical network biomarkers. Considering that there is one stationary Markov process before reaching the tipping point, a novel index, inconsistency score (I-score), is proposed to quantitatively measure the change of the stationary processes from the normal state so as to detect the onset of pre-disease state. In other words, a drastic increase of I-score implies the high inconsistency with the preceding stable state and thus signals the upcoming critical transition. This approach is applied to the simulated and real datasets of three diseases, which demonstrates the effectiveness of our method for predicting the deterioration into disease states. Both functional analysis and pathway enrichment also validate the computational results from the perspectives of both molecules and networks. At the molecular network level, this method provides a computational way of unravelling the underlying mechanism of the dynamical progression when a biological system is near the tipping point, and thus detecting the early-warning signal of the imminent critical transition, which may help to achieve timely intervention. Moreover, the rewiring of differential networks effectively extracts discriminatively interpretable features, and systematically demonstrates the dynamical change of a biological system.

Computers and Instruction: Implications of the Rising Tide of Criticism for Reading Education.

ERIC Educational Resources Information Center

Balajthy, Ernest

1988-01-01

Examines two major reasons that schools have adopted computers without careful prior examination and planning. Surveys a variety of criticisms targeted toward some aspects of computer-based instruction in reading in an effort to direct attention to the beneficial implications of computers in the classroom. (MS)

An Assessment of the State-of-the-art in Multidisciplinary Aeromechanical Analyses

NASA Technical Reports Server (NTRS)

Datta, Anubhav; Johnson, Wayne

2008-01-01

This paper presents a survey of the current state-of-the-art in multidisciplinary aeromechanical analyses which integrate advanced Computational Structural Dynamics (CSD) and Computational Fluid Dynamics (CFD) methods. The application areas to be surveyed include fixed wing aircraft, turbomachinery, and rotary wing aircraft. The objective of the authors in the present paper, together with a companion paper on requirements, is to lay out a path for a High Performance Computing (HPC) based next generation comprehensive rotorcraft analysis. From this survey of the key technologies in other application areas it is possible to identify the critical technology gaps that stem from unique rotorcraft requirements.

Validation Methods Research for Fault-Tolerant Avionics and Control Systems Sub-Working Group Meeting. CARE 3 peer review

NASA Technical Reports Server (NTRS)

Trivedi, K. S. (Editor); Clary, J. B. (Editor)

1980-01-01

A computer aided reliability estimation procedure (CARE 3), developed to model the behavior of ultrareliable systems required by flight-critical avionics and control systems, is evaluated. The mathematical models, numerical method, and fault-tolerant architecture modeling requirements are examined, and the testing and characterization procedures are discussed. Recommendations aimed at enhancing CARE 3 are presented; in particular, the need for a better exposition of the method and the user interface is emphasized.

A computer program for the localization of small areas in roentgenological images

NASA Technical Reports Server (NTRS)

Keller, R. A.; Baily, N. A.

1976-01-01

A method and associated algorithm are presented which allow a simple and accurate determination to be made of the location of small symmetric areas presented in roentgenological images. The method utilizes an operator to visually spot object positions but eliminates the need for critical positioning accuracy on the operator's part. The rapidity of measurement allows results to be evaluated on-line. Parameters associated with the algorithm have been analyzed, and methods to facilitate an optimum choice for any particular experimental setup are presented.

Transient Stability Output Margin Estimation Based on Energy Function Method

NASA Astrophysics Data System (ADS)

Miwa, Natsuki; Tanaka, Kazuyuki

In this paper, a new method of estimating critical generation margin (CGM) in power systems is proposed from the viewpoint of transient stability diagnostic. The proposed method has the capability to directly compute the stability limit output for a given contingency based on transient energy function method (TEF). Since CGM can be directly obtained by the limit output using estimated P-θ curves and is easy to understand, it is more useful rather than conventional critical clearing time (CCT) of energy function method. The proposed method can also estimate CGM as its negative value that means unstable in present load profile, then negative CGM can be directly utilized as generator output restriction. The proposed method is verified its accuracy and fast solution ability by applying to simple 3-machine model and IEEJ EAST10-machine standard model. Furthermore the useful application to severity ranking of transient stability for a lot of contingency cases is discussed by using CGM.

Monitoring of facial stress during space flight: Optical computer recognition combining discriminative and generative methods

NASA Astrophysics Data System (ADS)

Dinges, David F.; Venkataraman, Sundara; McGlinchey, Eleanor L.; Metaxas, Dimitris N.

2007-02-01

Astronauts are required to perform mission-critical tasks at a high level of functional capability throughout spaceflight. Stressors can compromise their ability to do so, making early objective detection of neurobehavioral problems in spaceflight a priority. Computer optical approaches offer a completely unobtrusive way to detect distress during critical operations in space flight. A methodology was developed and a study completed to determine whether optical computer recognition algorithms could be used to discriminate facial expressions during stress induced by performance demands. Stress recognition from a facial image sequence is a subject that has not received much attention although it is an important problem for many applications beyond space flight (security, human-computer interaction, etc.). This paper proposes a comprehensive method to detect stress from facial image sequences by using a model-based tracker. The image sequences were captured as subjects underwent a battery of psychological tests under high- and low-stress conditions. A cue integration-based tracking system accurately captured the rigid and non-rigid parameters of different parts of the face (eyebrows, lips). The labeled sequences were used to train the recognition system, which consisted of generative (hidden Markov model) and discriminative (support vector machine) parts that yield results superior to using either approach individually. The current optical algorithm methods performed at a 68% accuracy rate in an experimental study of 60 healthy adults undergoing periods of high-stress versus low-stress performance demands. Accuracy and practical feasibility of the technique is being improved further with automatic multi-resolution selection for the discretization of the mask, and automated face detection and mask initialization algorithms.

Noise Radiation Of A Strongly Pulsating Tailpipe Exhaust

NASA Astrophysics Data System (ADS)

Peizi, Li; Genhua, Dai; Zhichi, Zhu

1993-11-01

The method of characteristics is used to solve the problem of the propagation of a strongly pulsating flow in an exhaust system tailpipe. For a strongly pulsating exhaust, the flow may shock at the pipe's open end at some point in a pulsating where the flow pressure exceeds its critical value. The method fails if one insists on setting the flow pressure equal to the atmospheric pressure as the pipe end boundary condition. To solve the problem, we set the Mach number equal to 1 as the boundary condition when the flow pressure exceeds its critical value. For a strongly pulsating flow, the fluctuations of flow variables may be much higher than their respective time averages. Therefore, the acoustic radiation method would fail in the computation of the noise radiation from the pipe's open end. We simulate the exhaust flow out of the open end as a simple sound source to compute the noise radiation, which has been successfully applied in reference [1]. The simple sound source strength is proportional to the volume acceleration of exhaust gas. Also computed is the noise radiation from the turbulence of the exhaust flow, as was done in reference [1]. Noise from a reciprocating valve simulator has been treated in detail. The radiation efficiency is very low for the pressure range considered and is about 10 -5. The radiation efficiency coefficient increases with the square of the frequency. Computation of the pipe length dependence of the noise radiation and mass flux allows us to design a suitable length for an aerodynamic noise generator or a reciprocating internal combustion engine. For the former, powerful noise radiation is preferable. For the latter, maximum mass flux is desired because a freer exhaust is preferable.

Identifying critical transitions and their leading biomolecular networks in complex diseases.

PubMed

Liu, Rui; Li, Meiyi; Liu, Zhi-Ping; Wu, Jiarui; Chen, Luonan; Aihara, Kazuyuki

2012-01-01

Identifying a critical transition and its leading biomolecular network during the initiation and progression of a complex disease is a challenging task, but holds the key to early diagnosis and further elucidation of the essential mechanisms of disease deterioration at the network level. In this study, we developed a novel computational method for identifying early-warning signals of the critical transition and its leading network during a disease progression, based on high-throughput data using a small number of samples. The leading network makes the first move from the normal state toward the disease state during a transition, and thus is causally related with disease-driving genes or networks. Specifically, we first define a state-transition-based local network entropy (SNE), and prove that SNE can serve as a general early-warning indicator of any imminent transitions, regardless of specific differences among systems. The effectiveness of this method was validated by functional analysis and experimental data.

FEM Techniques for High Stress Detection in Accelerated Fatigue Simulation

NASA Astrophysics Data System (ADS)

Veltri, M.

2016-09-01

This work presents the theory and a numerical validation study in support to a novel method for a priori identification of fatigue critical regions, with the aim to accelerate durability design in large FEM problems. The investigation is placed in the context of modern full-body structural durability analysis, where a computationally intensive dynamic solution could be required to identify areas with potential for fatigue damage initiation. The early detection of fatigue critical areas can drive a simplification of the problem size, leading to sensible improvement in solution time and model handling while allowing processing of the critical areas in higher detail. The proposed technique is applied to a real life industrial case in a comparative assessment with established practices. Synthetic damage prediction quantification and visualization techniques allow for a quick and efficient comparison between methods, outlining potential application benefits and boundaries.

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.

Non-parametric correlative uncertainty quantification and sensitivity analysis: Application to a Langmuir bimolecular adsorption model

NASA Astrophysics Data System (ADS)

Feng, Jinchao; Lansford, Joshua; Mironenko, Alexander; Pourkargar, Davood Babaei; Vlachos, Dionisios G.; Katsoulakis, Markos A.

2018-03-01

We propose non-parametric methods for both local and global sensitivity analysis of chemical reaction models with correlated parameter dependencies. The developed mathematical and statistical tools are applied to a benchmark Langmuir competitive adsorption model on a close packed platinum surface, whose parameters, estimated from quantum-scale computations, are correlated and are limited in size (small data). The proposed mathematical methodology employs gradient-based methods to compute sensitivity indices. We observe that ranking influential parameters depends critically on whether or not correlations between parameters are taken into account. The impact of uncertainty in the correlation and the necessity of the proposed non-parametric perspective are demonstrated.

Constraint methods that accelerate free-energy simulations of biomolecules.

PubMed

Perez, Alberto; MacCallum, Justin L; Coutsias, Evangelos A; Dill, Ken A

2015-12-28

Atomistic molecular dynamics simulations of biomolecules are critical for generating narratives about biological mechanisms. The power of atomistic simulations is that these are physics-based methods that satisfy Boltzmann's law, so they can be used to compute populations, dynamics, and mechanisms. But physical simulations are computationally intensive and do not scale well to the sizes of many important biomolecules. One way to speed up physical simulations is by coarse-graining the potential function. Another way is to harness structural knowledge, often by imposing spring-like restraints. But harnessing external knowledge in physical simulations is problematic because knowledge, data, or hunches have errors, noise, and combinatoric uncertainties. Here, we review recent principled methods for imposing restraints to speed up physics-based molecular simulations that promise to scale to larger biomolecules and motions.

EMC analysis of MOS-1

NASA Astrophysics Data System (ADS)

Ishizawa, Y.; Abe, K.; Shirako, G.; Takai, T.; Kato, H.

The electromagnetic compatibility (EMC) control method, system EMC analysis method, and system test method which have been applied to test the components of the MOS-1 satellite are described. The merits and demerits of the problem solving, specification, and system approaches to EMC control are summarized, and the data requirements of the SEMCAP (specification and electromagnetic compatibility analysis program) computer program for verifying the EMI safety margin of the components are sumamrized. Examples of EMC design are mentioned, and the EMC design process and selection method for EMC critical points are shown along with sample EMC test results.

Handheld computers in critical care

PubMed Central

Lapinsky, Stephen E; Weshler, Jason; Mehta, Sangeeta; Varkul, Mark; Hallett, Dave; Stewart, Thomas E

2001-01-01

Background Computing technology has the potential to improve health care management but is often underutilized. Handheld computers are versatile and relatively inexpensive, bringing the benefits of computers to the bedside. We evaluated the role of this technology for managing patient data and accessing medical reference information, in an academic intensive-care unit (ICU). Methods Palm III series handheld devices were given to the ICU team, each installed with medical reference information, schedules, and contact numbers. Users underwent a 1-hour training session introducing the hardware and software. Various patient data management applications were assessed during the study period. Qualitative assessment of the benefits, drawbacks, and suggestions was performed by an independent company, using focus groups. An objective comparison between a paper and electronic handheld textbook was achieved using clinical scenario tests. Results During the 6-month study period, the 20 physicians and 6 paramedical staff who used the handheld devices found them convenient and functional but suggested more comprehensive training and improved search facilities. Comparison of the handheld computer with the conventional paper text revealed equivalence. Access to computerized patient information improved communication, particularly with regard to long-stay patients, but changes to the software and the process were suggested. Conclusions The introduction of this technology was well received despite differences in users' familiarity with the devices. Handheld computers have potential in the ICU, but systems need to be developed specifically for the critical-care environment. PMID:11511337

A Modified Cramer-von Mises and Anderson-Darling Test for the Weibull Distribution with Unknown Location and Scale Parameters.

DTIC Science & Technology

1981-12-01

preventing the generation of 16 6 negative location estimators. Because of the invariant pro- perty of the EDF statistics, this transformation will...likelihood. If the parameter estimation method developed by Harter and Moore is used, care must be taken to prevent the location estimators from being...vs A 2 Critical Values, Level-.Ol, n-30 128 , 0 6N m m • w - APPENDIX E Computer Prgrams 129 Program to Calculate the Cramer-von Mises Critical Values

An extended approach for computing the critical properties in the two-and three-dimensional lattices within the effective-field renormalization group method

NASA Astrophysics Data System (ADS)

de Albuquerque, Douglas F.; Santos-Silva, Edimilson; Moreno, N. O.

2009-10-01

In this letter we employing the effective-field renormalization group (EFRG) to study the Ising model with nearest neighbors to obtain the reduced critical temperature and exponents ν for bi- and three-dimensional lattices by increasing cluster scheme by extending recent works. The technique follows up the same strategy of the mean field renormalization group (MFRG) by introducing an alternative way for constructing classical effective-field equations of state takes on rigorous Ising spin identities.

Measuring Attitude toward Computers: The Computer Appreciator-Critic Attitude Scales.

ERIC Educational Resources Information Center

Mathews, Walter M.; Wolf, Abraham W.

The purpose of this study was to develop a reliable and valid instrument that conveniently measures a person's attitude toward computers. The final version of the instrument is composed of 40 items on a Likert-type scale which assign scores to subjects on their "appreciative" and "critical" attitude toward computers. The sample…

Equations of motion for a spectrum-generating algebra: Lipkin Meshkov Glick model

NASA Astrophysics Data System (ADS)

Rosensteel, G.; Rowe, D. J.; Ho, S. Y.

2008-01-01

For a spectrum-generating Lie algebra, a generalized equations-of-motion scheme determines numerical values of excitation energies and algebra matrix elements. In the approach to the infinite particle number limit or, more generally, whenever the dimension of the quantum state space is very large, the equations-of-motion method may achieve results that are impractical to obtain by diagonalization of the Hamiltonian matrix. To test the method's effectiveness, we apply it to the well-known Lipkin-Meshkov-Glick (LMG) model to find its low-energy spectrum and associated generator matrix elements in the eigenenergy basis. When the dimension of the LMG representation space is 106, computation time on a notebook computer is a few minutes. For a large particle number in the LMG model, the low-energy spectrum makes a quantum phase transition from a nondegenerate harmonic vibrator to a twofold degenerate harmonic oscillator. The equations-of-motion method computes critical exponents at the transition point.

Learning Gains and Response to Digital Lessons on Soil Genesis and Development

ERIC Educational Resources Information Center

Mamo, Martha; Ippolito, James A.; Kettler, Timothy A.; Reuter, Ronald; McCallister, Dennis; Morner, Patricia; Husmann, Dann; Blankenship, Erin

2011-01-01

Evolving computer technology is offering opportunities for new online approaches in teaching methods and delivery. Well-designed web-based (online) lessons should reinforce the critical need of the soil science discipline in today's food, energy, and environmental issues, as well as meet the needs of the diverse clientele with interest in…

Management Challenges Fiscal Year 2016

DTIC Science & Technology

2017-01-01

of Office of Inspector General Management Challenges 14 │ FY 2016 classified information revealed “methods to our adversaries that could impact our...electronic data to perform operations and to process, maintain, and report essential information . Office of Inspector General Management ...that collects, processes, stores, disseminates, and manages critical information . It includes owned and leased communications and computing

Using Interactive Multimedia to Teach Pedestrian Safety: An Exploratory Study

ERIC Educational Resources Information Center

Glang, Ann; Noell, John; Ary, Dennis; Swartz, Lynne

2005-01-01

Objectives: To evaluate an interactive multimedia (IMM) program that teaches young children safe pedestrian skills. Methods: The program uses IMM (animation and video) to teach children critical skills for crossing streets safely. A computer-delivered video assessment and a real-life street simulation were used to measure the effectiveness of the…

New Tools for "New" History: Computers and the Teaching of Quantitative Historical Methods.

ERIC Educational Resources Information Center

Burton, Orville Vernon; Finnegan, Terence

1989-01-01

Explains the development of an instructional software package and accompanying workbook which teaches students to apply computerized statistical analysis to historical data, improving the study of social history. Concludes that the use of microcomputers and supercomputers to manipulate historical data enhances critical thinking skills and the use…

RICIS Software Engineering 90 Symposium: Aerospace Applications and Research Directions Proceedings Appendices

NASA Technical Reports Server (NTRS)

1990-01-01

Papers presented at RICIS Software Engineering Symposium are compiled. The following subject areas are covered: flight critical software; management of real-time Ada; software reuse; megaprogramming software; Ada net; POSIX and Ada integration in the Space Station Freedom Program; and assessment of formal methods for trustworthy computer systems.

14 CFR 29.725 - Limit drop test.

Code of Federal Regulations, 2011 CFR

2011-01-01

....), equal to the static reaction on the particular unit with the rotorcraft in the most critical attitude. A rational method may be used in computing a main gear static reaction, taking into consideration the moment arm between the main wheel reaction and the rotorcraft center of gravity. W=W N for nose gear units...

14 CFR 29.725 - Limit drop test.

Code of Federal Regulations, 2010 CFR

2010-01-01

....), equal to the static reaction on the particular unit with the rotorcraft in the most critical attitude. A rational method may be used in computing a main gear static reaction, taking into consideration the moment arm between the main wheel reaction and the rotorcraft center of gravity. W=W N for nose gear units...

Radiation Dose Optimization For Critical Organs

NASA Astrophysics Data System (ADS)

Khodadadegan, Yasaman

Ionizing radiation used in the patient diagnosis or therapy has negative effects on the patient body in short term and long term depending on the amount of exposure. More than 700,000 examinations are everyday performed on Interventional Radiology modalities, however; there is no patient-centric information available to the patient or the Quality Assurance for the amount of organ dose received. In this study, we are exploring the methodologies to systematically reduce the absorbed radiation dose in the Fluoroscopically Guided Interventional Radiology procedures. In the first part of this study, we developed a mathematical model which determines a set of geometry settings for the equipment and a level for the energy during a patient exam. The goal is to minimize the amount of absorbed dose in the critical organs while maintaining image quality required for the diagnosis. The model is a large-scale mixed integer program. We performed polyhedral analysis and derived several sets of strong inequalities to improve the computational speed and quality of the solution. Results present the amount of absorbed dose in the critical organ can be reduced up to 99% for a specific set of angles. In the second part, we apply an approximate gradient method to simultaneously optimize angle and table location while minimizing dose in the critical organs with respect to the image quality. In each iteration, we solve a sub-problem as a MIP to determine the radiation field size and corresponding X-ray tube energy. In the computational experiments, results show further reduction (up to 80%) of the absorbed dose in compare with previous method. Last, there are uncertainties in the medical procedures resulting imprecision of the absorbed dose. We propose a robust formulation to hedge from the worst case absorbed dose while ensuring feasibility. In this part, we investigate a robust approach for the organ motions within a radiology procedure. We minimize the absorbed dose for the critical organs across all input data scenarios which are corresponding to the positioning and size of the organs. The computational results indicate up to 26% increase in the absorbed dose calculated for the robust approach which ensures the feasibility across scenarios.

Ischemic stroke enhancement in computed tomography scans using a computational approach

NASA Astrophysics Data System (ADS)

Alves, Allan F. F.; Pavan, Ana L. M.; Jennane, Rachid; Miranda, José R. A.; Freitas, Carlos C. M.; Abdala, Nitamar; Pina, Diana R.

2018-03-01

In this work, a novel approach was proposed to enhance the visual perception of ischemic stroke in computed tomography scans. Through different image processing techniques, we enabled less experienced physicians, to reliably detect early signs of stroke. A set of 40 retrospective CT scans of patients were used, divided into two groups: 25 cases of acute ischemic stroke and 15 normal cases used as control group. All cases were obtained within 4 hours of symptoms onset. Our approach was based on the variational decomposition model and three different segmentation methods. A test determined observers' performance to correctly diagnose stroke cases. The Expectation Maximization method provided the best results among all observers. The overall sensitivity of the observer's analysis was 64% and increased to 79%. The overall specificity was 67% and increased to 78%. These results show the importance of a computational tool to assist neuroradiology decisions, especially in critical situations such as the diagnosis of ischemic stroke.

Content Analysis in Computer-Mediated Communication: Analyzing Models for Assessing Critical Thinking through the Lens of Social Constructivism

ERIC Educational Resources Information Center

Buraphadeja, Vasa; Dawson, Kara

2008-01-01

This article reviews content analysis studies aimed to assess critical thinking in computer-mediated communication. It also discusses theories and content analysis models that encourage critical thinking skills in asynchronous learning environments and reviews theories and factors that may foster critical thinking skills and new knowledge…

Monte Carlo Perturbation Theory Estimates of Sensitivities to System Dimensions

DOE PAGES

Burke, Timothy P.; Kiedrowski, Brian C.

2017-12-11

Here, Monte Carlo methods are developed using adjoint-based perturbation theory and the differential operator method to compute the sensitivities of the k-eigenvalue, linear functions of the flux (reaction rates), and bilinear functions of the forward and adjoint flux (kinetics parameters) to system dimensions for uniform expansions or contractions. The calculation of sensitivities to system dimensions requires computing scattering and fission sources at material interfaces using collisions occurring at the interface—which is a set of events with infinitesimal probability. Kernel density estimators are used to estimate the source at interfaces using collisions occurring near the interface. The methods for computing sensitivitiesmore » of linear and bilinear ratios are derived using the differential operator method and adjoint-based perturbation theory and are shown to be equivalent to methods previously developed using a collision history–based approach. The methods for determining sensitivities to system dimensions are tested on a series of fast, intermediate, and thermal critical benchmarks as well as a pressurized water reactor benchmark problem with iterated fission probability used for adjoint-weighting. The estimators are shown to agree within 5% and 3σ of reference solutions obtained using direct perturbations with central differences for the majority of test problems.« less

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

Analysis of stray radiation for infrared optical system

NASA Astrophysics Data System (ADS)

Li, Yang; Zhang, Tingcheng; Liao, Zhibo; Mu, Shengbo; Du, Jianxiang; Wang, Xiangdong

2016-10-01

Based on the theory of radiation energy transfer in the infrared optical system, two methods for stray radiation analysis caused by interior thermal radiation in infrared optical system are proposed, one of which is important sampling method technique using forward ray trace, another of which is integral computation method using reverse ray trace. The two methods are discussed in detail. A concrete infrared optical system is provided. Light-tools is used to simulate the passage of radiation from the mirrors and mounts. Absolute values of internal irradiance on the detector are received. The results shows that the main part of the energy on the detector is due to the critical objects which were consistent with critical objects obtained by reverse ray trace, where mirror self-emission contribution is about 87.5% of the total energy. Corresponding to the results, the irradiance on the detector calculated by the two methods are in good agreement. So the validity and rationality of the two methods are proved.

The evolution of computer monitoring of real time data during the Atlas Centaur launch countdown

NASA Technical Reports Server (NTRS)

Thomas, W. F.

1981-01-01

In the last decade, improvements in computer technology have provided new 'tools' for controlling and monitoring critical missile systems. In this connection, computers have gradually taken a large role in monitoring all flights and ground systems on the Atlas Centaur. The wide body Centaur which will be launched in the Space Shuttle Cargo Bay will use computers to an even greater extent. It is planned to use the wide body Centaur to boost the Galileo spacecraft toward Jupiter in 1985. The critical systems which must be monitored prior to liftoff are examined. Computers have now been programmed to monitor all critical parameters continuously. At this time, there are two separate computer systems used to monitor these parameters.

Shape information from a critical point analysis of calculated electron density maps: application to DNA-drug systems

NASA Astrophysics Data System (ADS)

Leherte, L.; Allen, F. H.; Vercauteren, D. P.

1995-04-01

A computational method is described for mapping the volume within the DNA double helix accessible to a groove-binding antibiotic, netropsin. Topological critical point analysis is used to locate maxima in electron density maps reconstructed from crystallographically determined atomic coordinates. The peaks obtained in this way are represented as ellipsoids with axes related to local curvature of the electron density function. Combining the ellipsoids produces a single electron density function which can be probed to estimate effective volumes of the interacting species. Close complementarity between host and ligand in this example shows the method to be a good representation of the electron density function at various resolutions; while at the atomic level the ellipsoid method gives results which are in close agreement with those from the conventional, spherical, van der Waals approach.

Shape information from a critical point analysis of calculated electron density maps: Application to DNA-drug systems

NASA Astrophysics Data System (ADS)

Leherte, Laurence; Allen, Frank H.

1994-06-01

A computational method is described for mapping the volume within the DNA double helix accessible to the groove-binding antibiotic netropsin. Topological critical point analysis is used to locate maxima in electron density maps reconstructed from crystallographically determined atomic coordinates. The peaks obtained in this way are represented as ellipsoids with axes related to local curvature of the electron density function. Combining the ellipsoids produces a single electron density function which can be probed to estimate effective volumes of the interacting species. Close complementarity between host and ligand in this example shows the method to give a good representation of the electron density function at various resolutions. At the atomic level, the ellipsoid method gives results which are in close agreement with those from the conventional spherical van der Waals approach.

An Efficient Computational Model to Predict Protonation at the Amide Nitrogen and Reactivity along the C–N Rotational Pathway

PubMed Central

Szostak, Roman; Aubé, Jeffrey

2015-01-01

N-protonation of amides is critical in numerous biological processes, including amide bonds proteolysis and protein folding, as well as in organic synthesis as a method to activate amide bonds towards unconventional reactivity. A computational model enabling prediction of protonation at the amide bond nitrogen atom along the C–N rotational pathway is reported. Notably, this study provides a blueprint for the rational design and application of amides with a controlled degree of rotation in synthetic chemistry and biology. PMID:25766378

Validation of MCNP6 Version 1.0 with the ENDF/B-VII.1 Cross Section Library for Uranium Metal, Oxide, and Solution Systems on the High Performance Computing Platform Moonlight

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

Chapman, Bryan Scott; MacQuigg, Michael Robert; Wysong, Andrew Russell

In this document, the code MCNP is validated with ENDF/B-VII.1 cross section data under the purview of ANSI/ANS-8.24-2007, for use with uranium systems. MCNP is a computer code based on Monte Carlo transport methods. While MCNP has wide reading capability in nuclear transport simulation, this validation is limited to the functionality related to neutron transport and calculation of criticality parameters such as k eff.

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.

Progress and challenges in bioinformatics approaches for enhancer identification

PubMed Central

Kleftogiannis, Dimitrios; Kalnis, Panos

2016-01-01

Enhancers are cis-acting DNA elements that play critical roles in distal regulation of gene expression. Identifying enhancers is an important step for understanding distinct gene expression programs that may reflect normal and pathogenic cellular conditions. Experimental identification of enhancers is constrained by the set of conditions used in the experiment. This requires multiple experiments to identify enhancers, as they can be active under specific cellular conditions but not in different cell types/tissues or cellular states. This has opened prospects for computational prediction methods that can be used for high-throughput identification of putative enhancers to complement experimental approaches. Potential functions and properties of predicted enhancers have been catalogued and summarized in several enhancer-oriented databases. Because the current methods for the computational prediction of enhancers produce significantly different enhancer predictions, it will be beneficial for the research community to have an overview of the strategies and solutions developed in this field. In this review, we focus on the identification and analysis of enhancers by bioinformatics approaches. First, we describe a general framework for computational identification of enhancers, present relevant data types and discuss possible computational solutions. Next, we cover over 30 existing computational enhancer identification methods that were developed since 2000. Our review highlights advantages, limitations and potentials, while suggesting pragmatic guidelines for development of more efficient computational enhancer prediction methods. Finally, we discuss challenges and open problems of this topic, which require further consideration. PMID:26634919

Non-numeric computation for high eccentricity orbits. [Earth satellite orbit perturbation

NASA Technical Reports Server (NTRS)

Sridharan, R.; Renard, M. L.

1975-01-01

Geocentric orbits of large eccentricity (e = 0.9 to 0.95) are significantly perturbed in cislunar space by the sun and moon. The time-history of the height of perigee, subsequent to launch, is particularly critical. The determination of 'launch windows' is mostly concerned with preventing the height of perigee from falling below its low initial value before the mission lifetime has elapsed. Between the extremes of high accuracy digital integration of the equations of motion and of using an approximate, but very fast, stability criteria method, this paper is concerned with the developement of a method of intermediate complexity using non-numeric computation. The computer is used as the theory generator to generalize Lidov's theory using six osculating elements. Symbolic integration is completely automatized and the output is a set of condensed formulae well suited for repeated applications in launch window analysis. Examples of applications are given.

COMSAC: Computational Methods for Stability and Control. Part 2

NASA Technical Reports Server (NTRS)

Fremaux, C. Michael (Compiler); Hall, Robert M. (Compiler)

2004-01-01

The unprecedented advances being made in computational fluid dynamic (CFD) technology have demonstrated the powerful capabilities of codes in applications to civil and military aircraft. Used in conjunction with wind-tunnel and flight investigations, many codes are now routinely used by designers in diverse applications such as aerodynamic performance predictions and propulsion integration. Typically, these codes are most reliable for attached, steady, and predominantly turbulent flows. As a result of increasing reliability and confidence in CFD, wind-tunnel testing for some new configurations has been substantially reduced in key areas, such as wing trade studies for mission performance guarantees. Interest is now growing in the application of computational methods to other critical design challenges. One of the most important disciplinary elements for civil and military aircraft is prediction of stability and control characteristics. CFD offers the potential for significantly increasing the basic understanding, prediction, and control of flow phenomena associated with requirements for satisfactory aircraft handling characteristics.

Development of the cardiovascular system: an interactive video computer program.

PubMed Central

Smolen, A. J.; Zeiset, G. E.; Beaston-Wimmer, P.

1992-01-01

The major aim of this project is to provide interactive video computer based courseware that can be used by the medical student and others to supplement his or her learning of this very important aspect of basic biomedical education. Embryology is a science that depends on the ability of the student to visualize dynamic changes in structure which occur in four dimensions--X, Y, Z, and time. Traditional didactic methods, including lectures employing photographic slides and laboratories employing histological sections, are limited to two dimensions--X and Y. The third spatial dimension and the dimension of time cannot be readily illustrated using these methods. Computer based learning, particularly when used in conjunction with interactive video, can be used effectively to illustrate developmental processes in all four dimensions. This methodology can also be used to foster the critical skills of independent learning and problem solving. PMID:1483013

Computer-assisted concept mapping: Visual aids for knowledge construction

PubMed Central

Mammen, Jennifer R.

2016-01-01

Background Concept mapping is a visual representation of ideas that facilitates critical thinking and is applicable to many areas of nursing education. Computer-Assisted Concept Maps are more flexible and less constrained than traditional paper methods, allowing for analysis and synthesis of complex topics and larger amounts of data. Ability to iteratively revise and collaboratively create computerized maps can contribute to enhanced interpersonal learning. However, there is limited awareness of free software that can support these types of applications. Discussion This educational brief examines affordances and limitations of Computer-Assisted Concept Maps and reviews free software for development of complex, collaborative malleable maps. Free software such as VUE, Xmind, MindMaple, and others can substantially contribute to utility of concept-mapping for nursing education. Conclusions Computerized concept-mapping is an important tool for nursing and is likely to hold greater benefit for students and faculty than traditional pen and paper methods alone. PMID:27351610

Computational tools for copy number variation (CNV) detection using next-generation sequencing data: features and perspectives.

PubMed

Zhao, Min; Wang, Qingguo; Wang, Quan; Jia, Peilin; Zhao, Zhongming

2013-01-01

Copy number variation (CNV) is a prevalent form of critical genetic variation that leads to an abnormal number of copies of large genomic regions in a cell. Microarray-based comparative genome hybridization (arrayCGH) or genotyping arrays have been standard technologies to detect large regions subject to copy number changes in genomes until most recently high-resolution sequence data can be analyzed by next-generation sequencing (NGS). During the last several years, NGS-based analysis has been widely applied to identify CNVs in both healthy and diseased individuals. Correspondingly, the strong demand for NGS-based CNV analyses has fuelled development of numerous computational methods and tools for CNV detection. In this article, we review the recent advances in computational methods pertaining to CNV detection using whole genome and whole exome sequencing data. Additionally, we discuss their strengths and weaknesses and suggest directions for future development.

Computational tools for copy number variation (CNV) detection using next-generation sequencing data: features and perspectives

PubMed Central

2013-01-01

Copy number variation (CNV) is a prevalent form of critical genetic variation that leads to an abnormal number of copies of large genomic regions in a cell. Microarray-based comparative genome hybridization (arrayCGH) or genotyping arrays have been standard technologies to detect large regions subject to copy number changes in genomes until most recently high-resolution sequence data can be analyzed by next-generation sequencing (NGS). During the last several years, NGS-based analysis has been widely applied to identify CNVs in both healthy and diseased individuals. Correspondingly, the strong demand for NGS-based CNV analyses has fuelled development of numerous computational methods and tools for CNV detection. In this article, we review the recent advances in computational methods pertaining to CNV detection using whole genome and whole exome sequencing data. Additionally, we discuss their strengths and weaknesses and suggest directions for future development. PMID:24564169

TSaT-MUSIC: a novel algorithm for rapid and accurate ultrasonic 3D localization

NASA Astrophysics Data System (ADS)

Mizutani, Kyohei; Ito, Toshio; Sugimoto, Masanori; Hashizume, Hiromichi

2011-12-01

We describe a fast and accurate indoor localization technique using the multiple signal classification (MUSIC) algorithm. The MUSIC algorithm is known as a high-resolution method for estimating directions of arrival (DOAs) or propagation delays. A critical problem in using the MUSIC algorithm for localization is its computational complexity. Therefore, we devised a novel algorithm called Time Space additional Temporal-MUSIC, which can rapidly and simultaneously identify DOAs and delays of mul-ticarrier ultrasonic waves from transmitters. Computer simulations have proved that the computation time of the proposed algorithm is almost constant in spite of increasing numbers of incoming waves and is faster than that of existing methods based on the MUSIC algorithm. The robustness of the proposed algorithm is discussed through simulations. Experiments in real environments showed that the standard deviation of position estimations in 3D space is less than 10 mm, which is satisfactory for indoor localization.

Quantifying relative importance: Computing standardized effects in models with binary outcomes

USGS Publications Warehouse

Grace, James B.; Johnson, Darren; Lefcheck, Jonathan S.; Byrnes, Jarrett E.K.

2018-01-01

Results from simulation studies show that both the LT and OE methods of standardization support a similarly-broad range of coefficient comparisons. The LT method estimates effects that reflect underlying latent-linear propensities, while the OE method computes a linear approximation for the effects of predictors on binary responses. The contrast between assumptions for the two methods is reflected in persistently weaker standardized effects associated with OE standardization. Reliance on standard deviations for standardization (the traditional approach) is critically examined and shown to introduce substantial biases when predictors are non-Gaussian. The use of relevant ranges in place of standard deviations has the capacity to place LT and OE standardized coefficients on a more comparable scale. As ecologists address increasingly complex hypotheses, especially those that involve comparing the influences of different controlling factors (e.g., top-down versus bottom-up or biotic versus abiotic controls), comparable coefficients become a necessary component for evaluations.

An efficient method to compute microlensed light curves for point sources

NASA Technical Reports Server (NTRS)

Witt, Hans J.

1993-01-01

We present a method to compute microlensed light curves for point sources. This method has the general advantage that all microimages contributing to the light curve are found. While a source moves along a straight line, all micro images are located either on the primary image track or on the secondary image tracks (loops). The primary image track extends from - infinity to + infinity and is made of many sequents which are continuously connected. All the secondary image tracks (loops) begin and end on the lensing point masses. The method can be applied to any microlensing situation with point masses in the deflector plane, even for the overcritical case and surface densities close to the critical. Furthermore, we present general rules to evaluate the light curve for a straight track arbitrary placed in the caustic network of a sample of many point masses.

The dynamic micro computed tomography at SSRF

NASA Astrophysics Data System (ADS)

Chen, R.; Xu, L.; Du, G.; Deng, B.; Xie, H.; Xiao, T.

2018-05-01

Synchrotron radiation micro-computed tomography (SR-μCT) is a critical technique for quantitative characterizing the 3D internal structure of samples, recently the dynamic SR-μCT has been attracting vast attention since it can evaluate the three-dimensional structure evolution of a sample. A dynamic μCT method, which is based on monochromatic beam, was developed at the X-ray Imaging and Biomedical Application Beamline at Shanghai Synchrotron Radiation Facility, by combining the compressed sensing based CT reconstruction algorithm and hardware upgrade. The monochromatic beam based method can achieve quantitative information, and lower dose than the white beam base method in which the lower energy beam is absorbed by the sample rather than contribute to the final imaging signal. The developed method is successfully used to investigate the compression of the air sac during respiration in a bell cricket, providing new knowledge for further research on the insect respiratory system.

Health adaptation policy for climate vulnerable groups: a 'critical computational linguistics' analysis.

PubMed

Seidel, Bastian M; Bell, Erica

2014-11-28

Many countries are developing or reviewing national adaptation policy for climate change but the extent to which these meet the health needs of vulnerable groups has not been assessed. This study examines the adequacy of such policies for nine known climate-vulnerable groups: people with mental health conditions, Aboriginal people, culturally and linguistically diverse groups, aged people, people with disabilities, rural communities, children, women, and socioeconomically disadvantaged people. The study analyses an exhaustive sample of national adaptation policy documents from Annex 1 ('developed') countries of the United Nations Framework Convention on Climate Change: 20 documents from 12 countries. A 'critical computational linguistics' method was used involving novel software-driven quantitative mapping and traditional critical discourse analysis. The study finds that references to vulnerable groups are relatively little present or non-existent, as well as poorly connected to language about practical strategies and socio-economic contexts, both also little present. The conclusions offer strategies for developing policy that is better informed by a 'social determinants of health' definition of climate vulnerability, consistent with best practice in the literature and global policy prescriptions.

TU-AB-303-08: GPU-Based Software Platform for Efficient Image-Guided Adaptive Radiation Therapy

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

Park, S; Robinson, A; McNutt, T

2015-06-15

Purpose: In this study, we develop an integrated software platform for adaptive radiation therapy (ART) that combines fast and accurate image registration, segmentation, and dose computation/accumulation methods. Methods: The proposed system consists of three key components; 1) deformable image registration (DIR), 2) automatic segmentation, and 3) dose computation/accumulation. The computationally intensive modules including DIR and dose computation have been implemented on a graphics processing unit (GPU). All required patient-specific data including the planning CT (pCT) with contours, daily cone-beam CTs, and treatment plan are automatically queried and retrieved from their own databases. To improve the accuracy of DIR between pCTmore » and CBCTs, we use the double force demons DIR algorithm in combination with iterative CBCT intensity correction by local intensity histogram matching. Segmentation of daily CBCT is then obtained by propagating contours from the pCT. Daily dose delivered to the patient is computed on the registered pCT by a GPU-accelerated superposition/convolution algorithm. Finally, computed daily doses are accumulated to show the total delivered dose to date. Results: Since the accuracy of DIR critically affects the quality of the other processes, we first evaluated our DIR method on eight head-and-neck cancer cases and compared its performance. Normalized mutual-information (NMI) and normalized cross-correlation (NCC) computed as similarity measures, and our method produced overall NMI of 0.663 and NCC of 0.987, outperforming conventional methods by 3.8% and 1.9%, respectively. Experimental results show that our registration method is more consistent and roust than existing algorithms, and also computationally efficient. Computation time at each fraction took around one minute (30–50 seconds for registration and 15–25 seconds for dose computation). Conclusion: We developed an integrated GPU-accelerated software platform that enables accurate and efficient DIR, auto-segmentation, and dose computation, thus supporting an efficient ART workflow. This work was supported by NIH/NCI under grant R42CA137886.« less

The MCNP6 Analytic Criticality Benchmark Suite

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

Brown, Forrest B.

2016-06-16

Analytical benchmarks provide an invaluable tool for verifying computer codes used to simulate neutron transport. Several collections of analytical benchmark problems [1-4] are used routinely in the verification of production Monte Carlo codes such as MCNP® [5,6]. Verification of a computer code is a necessary prerequisite to the more complex validation process. The verification process confirms that a code performs its intended functions correctly. The validation process involves determining the absolute accuracy of code results vs. nature. In typical validations, results are computed for a set of benchmark experiments using a particular methodology (code, cross-section data with uncertainties, and modeling)more » and compared to the measured results from the set of benchmark experiments. The validation process determines bias, bias uncertainty, and possibly additional margins. Verification is generally performed by the code developers, while validation is generally performed by code users for a particular application space. The VERIFICATION_KEFF suite of criticality problems [1,2] was originally a set of 75 criticality problems found in the literature for which exact analytical solutions are available. Even though the spatial and energy detail is necessarily limited in analytical benchmarks, typically to a few regions or energy groups, the exact solutions obtained can be used to verify that the basic algorithms, mathematics, and methods used in complex production codes perform correctly. The present work has focused on revisiting this benchmark suite. A thorough review of the problems resulted in discarding some of them as not suitable for MCNP benchmarking. For the remaining problems, many of them were reformulated to permit execution in either multigroup mode or in the normal continuous-energy mode for MCNP. Execution of the benchmarks in continuous-energy mode provides a significant advance to MCNP verification methods.« less

Is it possible to reduce intra-hospital transport time for computed tomography evaluation in critically ill cases using the Easy Tube Arrange Device?

PubMed

Song, Kyung Hyeok; Cho, Sung Uk; Lee, Jin Woong; Cho, Yong Chul; Jeong, Won Joon; You, Yeon Ho; Ryu, Seung; Kim, Seung Whan; Yoo, In Sool; Joo, Ki Hyuk

2018-03-01

Patients are often transported within the hospital, especially in cases of critical illness for which computed tomography (CT) is performed. Since increased transport time increases the risks of complications, reducing transport time is important for patient safety. This study aimed to evaluate the ability of our newly invented device, the Easy Tube Arrange Device (ETAD), to reduce transport time for CT evaluation in cases of critical illness. This prospective randomized control study included 60 volunteers. Each participant arranged five or six intravenous fluid lines, monitoring lines (noninvasive blood pressure, electrocardiography, central venous pressure, arterial catheter), and therapeutic equipment (O2 supply device, Foley catheter) on a Resusci Anne mannequin. We measured transport time for the CT evaluation by using conventional and ETAD method. The median transport time for CT evaluation was 488.50 seconds (95% confidence interval [CI], 462.75 to 514.75) and, 503.50 seconds (95% CI, 489.50 to 526.75) with 5 and 6 fluid lines using the conventional method and 364.50 seconds (95% CI, 335.00 to 388.75), and 363.50 seconds (95% CI, 331.75 to 377.75) with ETAD (all P<0.001). The time differences were 131.50 (95% CI, 89.25 to 174.50) and 148.00 (95% CI, 116.00 to 177.75) (all P<0.001). The transport time for CT evaluation was reduced using the ETAD, which would be expected to reduce the complications that may occur during transport in cases of critical illness.

Efficient critical design load case identification for floating offshore wind turbines with a reduced nonlinear model

NASA Astrophysics Data System (ADS)

Matha, Denis; Sandner, Frank; Schlipf, David

2014-12-01

Design verification of wind turbines is performed by simulation of design load cases (DLC) defined in the IEC 61400-1 and -3 standards or equivalent guidelines. Due to the resulting large number of necessary load simulations, here a method is presented to reduce the computational effort for DLC simulations significantly by introducing a reduced nonlinear model and simplified hydro- and aerodynamics. The advantage of the formulation is that the nonlinear ODE system only contains basic mathematic operations and no iterations or internal loops which makes it very computationally efficient. Global turbine extreme and fatigue loads such as rotor thrust, tower base bending moment and mooring line tension, as well as platform motions are outputs of the model. They can be used to identify critical and less critical load situations to be then analysed with a higher fidelity tool and so speed up the design process. Results from these reduced model DLC simulations are presented and compared to higher fidelity models. Results in frequency and time domain as well as extreme and fatigue load predictions demonstrate that good agreement between the reduced and advanced model is achieved, allowing to efficiently exclude less critical DLC simulations, and to identify the most critical subset of cases for a given design. Additionally, the model is applicable for brute force optimization of floater control system parameters.

Decomposition of algebraic sets and applications to weak centers of cubic systems

NASA Astrophysics Data System (ADS)

Chen, Xingwu; Zhang, Weinian

2009-10-01

There are many methods such as Gröbner basis, characteristic set and resultant, in computing an algebraic set of a system of multivariate polynomials. The common difficulties come from the complexity of computation, singularity of the corresponding matrices and some unnecessary factors in successive computation. In this paper, we decompose algebraic sets, stratum by stratum, into a union of constructible sets with Sylvester resultants, so as to simplify the procedure of elimination. Applying this decomposition to systems of multivariate polynomials resulted from period constants of reversible cubic differential systems which possess a quadratic isochronous center, we determine the order of weak centers and discuss the bifurcation of critical periods.

Critical Assessment of Metagenome Interpretation – a benchmark of computational metagenomics software

PubMed Central

Sczyrba, Alexander; Hofmann, Peter; Belmann, Peter; Koslicki, David; Janssen, Stefan; Dröge, Johannes; Gregor, Ivan; Majda, Stephan; Fiedler, Jessika; Dahms, Eik; Bremges, Andreas; Fritz, Adrian; Garrido-Oter, Ruben; Jørgensen, Tue Sparholt; Shapiro, Nicole; Blood, Philip D.; Gurevich, Alexey; Bai, Yang; Turaev, Dmitrij; DeMaere, Matthew Z.; Chikhi, Rayan; Nagarajan, Niranjan; Quince, Christopher; Meyer, Fernando; Balvočiūtė, Monika; Hansen, Lars Hestbjerg; Sørensen, Søren J.; Chia, Burton K. H.; Denis, Bertrand; Froula, Jeff L.; Wang, Zhong; Egan, Robert; Kang, Dongwan Don; Cook, Jeffrey J.; Deltel, Charles; Beckstette, Michael; Lemaitre, Claire; Peterlongo, Pierre; Rizk, Guillaume; Lavenier, Dominique; Wu, Yu-Wei; Singer, Steven W.; Jain, Chirag; Strous, Marc; Klingenberg, Heiner; Meinicke, Peter; Barton, Michael; Lingner, Thomas; Lin, Hsin-Hung; Liao, Yu-Chieh; Silva, Genivaldo Gueiros Z.; Cuevas, Daniel A.; Edwards, Robert A.; Saha, Surya; Piro, Vitor C.; Renard, Bernhard Y.; Pop, Mihai; Klenk, Hans-Peter; Göker, Markus; Kyrpides, Nikos C.; Woyke, Tanja; Vorholt, Julia A.; Schulze-Lefert, Paul; Rubin, Edward M.; Darling, Aaron E.; Rattei, Thomas; McHardy, Alice C.

2018-01-01

In metagenome analysis, computational methods for assembly, taxonomic profiling and binning are key components facilitating downstream biological data interpretation. However, a lack of consensus about benchmarking datasets and evaluation metrics complicates proper performance assessment. The Critical Assessment of Metagenome Interpretation (CAMI) challenge has engaged the global developer community to benchmark their programs on datasets of unprecedented complexity and realism. Benchmark metagenomes were generated from ~700 newly sequenced microorganisms and ~600 novel viruses and plasmids, including genomes with varying degrees of relatedness to each other and to publicly available ones and representing common experimental setups. Across all datasets, assembly and genome binning programs performed well for species represented by individual genomes, while performance was substantially affected by the presence of related strains. Taxonomic profiling and binning programs were proficient at high taxonomic ranks, with a notable performance decrease below the family level. Parameter settings substantially impacted performances, underscoring the importance of program reproducibility. While highlighting current challenges in computational metagenomics, the CAMI results provide a roadmap for software selection to answer specific research questions. PMID:28967888

Man-Computer Symbiosis Through Interactive Graphics: A Survey and Identification of Critical Research Areas.

ERIC Educational Resources Information Center

Knoop, Patricia A.

The purpose of this report was to determine the research areas that appear most critical to achieving man-computer symbiosis. An operational definition of man-computer symbiosis was developed by: (1) reviewing and summarizing what others have said about it, and (2) attempting to distinguish it from other types of man-computer relationships. From…

Scientific Computing Strategic Plan for the Idaho National Laboratory

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

Whiting, Eric Todd

Scientific computing is a critical foundation of modern science. Without innovations in the field of computational science, the essential missions of the Department of Energy (DOE) would go unrealized. Taking a leadership role in such innovations is Idaho National Laboratory’s (INL’s) challenge and charge, and is central to INL’s ongoing success. Computing is an essential part of INL’s future. DOE science and technology missions rely firmly on computing capabilities in various forms. Modeling and simulation, fueled by innovations in computational science and validated through experiment, are a critical foundation of science and engineering. Big data analytics from an increasing numbermore » of widely varied sources is opening new windows of insight and discovery. Computing is a critical tool in education, science, engineering, and experiments. Advanced computing capabilities in the form of people, tools, computers, and facilities, will position INL competitively to deliver results and solutions on important national science and engineering challenges. A computing strategy must include much more than simply computers. The foundational enabling component of computing at many DOE national laboratories is the combination of a showcase like data center facility coupled with a very capable supercomputer. In addition, network connectivity, disk storage systems, and visualization hardware are critical and generally tightly coupled to the computer system and co located in the same facility. The existence of these resources in a single data center facility opens the doors to many opportunities that would not otherwise be possible.« less

Online adaptive optimal control for continuous-time nonlinear systems with completely unknown dynamics

NASA Astrophysics Data System (ADS)

Lv, Yongfeng; Na, Jing; Yang, Qinmin; Wu, Xing; Guo, Yu

2016-01-01

An online adaptive optimal control is proposed for continuous-time nonlinear systems with completely unknown dynamics, which is achieved by developing a novel identifier-critic-based approximate dynamic programming algorithm with a dual neural network (NN) approximation structure. First, an adaptive NN identifier is designed to obviate the requirement of complete knowledge of system dynamics, and a critic NN is employed to approximate the optimal value function. Then, the optimal control law is computed based on the information from the identifier NN and the critic NN, so that the actor NN is not needed. In particular, a novel adaptive law design method with the parameter estimation error is proposed to online update the weights of both identifier NN and critic NN simultaneously, which converge to small neighbourhoods around their ideal values. The closed-loop system stability and the convergence to small vicinity around the optimal solution are all proved by means of the Lyapunov theory. The proposed adaptation algorithm is also improved to achieve finite-time convergence of the NN weights. Finally, simulation results are provided to exemplify the efficacy of the proposed methods.

Job-shop scheduling applied to computer vision

NASA Astrophysics Data System (ADS)

Sebastian y Zuniga, Jose M.; Torres-Medina, Fernando; Aracil, Rafael; Reinoso, Oscar; Jimenez, Luis M.; Garcia, David

1997-09-01

This paper presents a method for minimizing the total elapsed time spent by n tasks running on m differents processors working in parallel. The developed algorithm not only minimizes the total elapsed time but also reduces the idle time and waiting time of in-process tasks. This condition is very important in some applications of computer vision in which the time to finish the total process is particularly critical -- quality control in industrial inspection, real- time computer vision, guided robots. The scheduling algorithm is based on the use of two matrices, obtained from the precedence relationships between tasks, and the data obtained from the two matrices. The developed scheduling algorithm has been tested in one application of quality control using computer vision. The results obtained have been satisfactory in the application of different image processing algorithms.

Spectral methods for the spin-2 equation near the cylinder at spatial infinity

NASA Astrophysics Data System (ADS)

Macedo, Rodrigo P.; Valiente Kroon, Juan A.

2018-06-01

We solve, numerically, the massless spin-2 equations, written in terms of a gauge based on the properties of conformal geodesics, in a neighbourhood of spatial infinity using spectral methods in both space and time. This strategy allows us to compute the solutions to these equations up to the critical sets where null infinity intersects with spatial infinity. Moreover, we use the convergence rates of the numerical solutions to read-off their regularity properties.

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

Cirac, J. Ignacio; Sierra, German; Instituto de Fisica Teorica, UAM-CSIC, Madrid

We generalize the matrix product states method using the chiral vertex operators of conformal field theory and apply it to study the ground states of the XXZ spin chain, the J{sub 1}-J{sub 2} model and random Heisenberg models. We compute the overlap with the exact wave functions, spin-spin correlators, and the Renyi entropy, showing that critical systems can be described by this method. For rotational invariant ansatzs we construct an inhomogenous extension of the Haldane-Shastry model with long-range exchange interactions.

Using the Multilayer Free-Surface Flow Model to Solve Wave Problems

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

Prokof’ev, V. A., E-mail: ProkofyevVA@vniig.ru

2017-01-15

A method is presented for changing over from a single-layer shallow-water model to a multilayer model with hydrostatic pressure profile and, then, to a multilayer model with nonhydrostatic pressure profile. The method does not require complex procedures for solving the discrete Poisson’s equation and features high computation efficiency. The results of validating the algorithm against experimental data critical for the numerical dissipation of the numerical scheme are presented. Examples are considered.

Aircraft stress sequence development: A complex engineering process made simple

NASA Technical Reports Server (NTRS)

Schrader, K. H.; Butts, D. G.; Sparks, W. A.

1994-01-01

Development of stress sequences for critical aircraft structure requires flight measured usage data, known aircraft loads, and established relationships between aircraft flight loads and structural stresses. Resulting cycle-by-cycle stress sequences can be directly usable for crack growth analysis and coupon spectra tests. Often, an expert in loads and spectra development manipulates the usage data into a typical sequence of representative flight conditions for which loads and stresses are calculated. For a fighter/trainer type aircraft, this effort is repeated many times for each of the fatigue critical locations (FCL) resulting in expenditure of numerous engineering hours. The Aircraft Stress Sequence Computer Program (ACSTRSEQ), developed by Southwest Research Institute under contract to San Antonio Air Logistics Center, presents a unique approach for making complex technical computations in a simple, easy to use method. The program is written in Microsoft Visual Basic for the Microsoft Windows environment.

Proceeding On : Parallelisation Of Critical Code Passages In PHOENIX/3D

NASA Astrophysics Data System (ADS)

Arkenberg, Mario; Wichert, Viktoria; Hauschildt, Peter H.

2016-10-01

Highly resolved state-of-the-art 3D atmosphere simulations will remain computationally extremely expensive for years to come. In addition to the need for more computing power, rethinking coding practices is necessary. We take a dual approach here, by introducing especially adapted, parallel numerical methods and correspondingly parallelising time critical code passages. In the following, we present our work on PHOENIX/3D.While parallelisation is generally worthwhile, it requires revision of time-consuming subroutines with respect to separability of localised data and variables in order to determine the optimal approach. Of course, the same applies to the code structure. The importance of this ongoing work can be showcased by recently derived benchmark results, which were generated utilis- ing MPI and OpenMP. Furthermore, the need for a careful and thorough choice of an adequate, machine dependent setup is discussed.

Pulmonary Nodule Classification with Deep Convolutional Neural Networks on Computed Tomography Images.

PubMed

Li, Wei; Cao, Peng; Zhao, Dazhe; Wang, Junbo

2016-01-01

Computer aided detection (CAD) systems can assist radiologists by offering a second opinion on early diagnosis of lung cancer. Classification and feature representation play critical roles in false-positive reduction (FPR) in lung nodule CAD. We design a deep convolutional neural networks method for nodule classification, which has an advantage of autolearning representation and strong generalization ability. A specified network structure for nodule images is proposed to solve the recognition of three types of nodules, that is, solid, semisolid, and ground glass opacity (GGO). Deep convolutional neural networks are trained by 62,492 regions-of-interest (ROIs) samples including 40,772 nodules and 21,720 nonnodules from the Lung Image Database Consortium (LIDC) database. Experimental results demonstrate the effectiveness of the proposed method in terms of sensitivity and overall accuracy and that it consistently outperforms the competing methods.

Novel metaheuristic for parameter estimation in nonlinear dynamic biological systems

PubMed Central

Rodriguez-Fernandez, Maria; Egea, Jose A; Banga, Julio R

2006-01-01

Background We consider the problem of parameter estimation (model calibration) in nonlinear dynamic models of biological systems. Due to the frequent ill-conditioning and multi-modality of many of these problems, traditional local methods usually fail (unless initialized with very good guesses of the parameter vector). In order to surmount these difficulties, global optimization (GO) methods have been suggested as robust alternatives. Currently, deterministic GO methods can not solve problems of realistic size within this class in reasonable computation times. In contrast, certain types of stochastic GO methods have shown promising results, although the computational cost remains large. Rodriguez-Fernandez and coworkers have presented hybrid stochastic-deterministic GO methods which could reduce computation time by one order of magnitude while guaranteeing robustness. Our goal here was to further reduce the computational effort without loosing robustness. Results We have developed a new procedure based on the scatter search methodology for nonlinear optimization of dynamic models of arbitrary (or even unknown) structure (i.e. black-box models). In this contribution, we describe and apply this novel metaheuristic, inspired by recent developments in the field of operations research, to a set of complex identification problems and we make a critical comparison with respect to the previous (above mentioned) successful methods. Conclusion Robust and efficient methods for parameter estimation are of key importance in systems biology and related areas. The new metaheuristic presented in this paper aims to ensure the proper solution of these problems by adopting a global optimization approach, while keeping the computational effort under reasonable values. This new metaheuristic was applied to a set of three challenging parameter estimation problems of nonlinear dynamic biological systems, outperforming very significantly all the methods previously used for these benchmark problems. PMID:17081289

Novel metaheuristic for parameter estimation in nonlinear dynamic biological systems.

PubMed

Rodriguez-Fernandez, Maria; Egea, Jose A; Banga, Julio R

2006-11-02

We consider the problem of parameter estimation (model calibration) in nonlinear dynamic models of biological systems. Due to the frequent ill-conditioning and multi-modality of many of these problems, traditional local methods usually fail (unless initialized with very good guesses of the parameter vector). In order to surmount these difficulties, global optimization (GO) methods have been suggested as robust alternatives. Currently, deterministic GO methods can not solve problems of realistic size within this class in reasonable computation times. In contrast, certain types of stochastic GO methods have shown promising results, although the computational cost remains large. Rodriguez-Fernandez and coworkers have presented hybrid stochastic-deterministic GO methods which could reduce computation time by one order of magnitude while guaranteeing robustness. Our goal here was to further reduce the computational effort without loosing robustness. We have developed a new procedure based on the scatter search methodology for nonlinear optimization of dynamic models of arbitrary (or even unknown) structure (i.e. black-box models). In this contribution, we describe and apply this novel metaheuristic, inspired by recent developments in the field of operations research, to a set of complex identification problems and we make a critical comparison with respect to the previous (above mentioned) successful methods. Robust and efficient methods for parameter estimation are of key importance in systems biology and related areas. The new metaheuristic presented in this paper aims to ensure the proper solution of these problems by adopting a global optimization approach, while keeping the computational effort under reasonable values. This new metaheuristic was applied to a set of three challenging parameter estimation problems of nonlinear dynamic biological systems, outperforming very significantly all the methods previously used for these benchmark problems.

Prediction of Environmental Impact of High-Energy Materials with Atomistic Computer Simulations

DTIC Science & Technology

2010-11-01

from a training set of compounds. Other methods include Quantitative Struc- ture-Activity Relationship ( QSAR ) and Quantitative Structure-Property...26 28 the development of QSPR/ QSAR models, in contrast to boiling points and critical parameters derived from empirical correlations, to improve...Quadratic Configuration Interaction Singles Doubles QSAR Quantitative Structure-Activity Relationship QSPR Quantitative Structure-Property

Architecture-led Requirements and Safety Analysis of an Aircraft Survivability Situational Awareness System

DTIC Science & Technology

2015-05-01

quality attributes. Prioritization of the utility tree leafs driven by mission goals help the user ensure that critical requirements are well-specified...Methods: State of the Art and Future Directions”, ACM Computing Surveys. 1996. 10 Laitenberger, Oliver , “A Survey of Software Inspection Technologies, Handbook on Software Engineering and Knowledge Engineering”. 2002.

Competence-Based, Research-Related Lab Courses for Materials Modeling: The Case of Organic Photovoltaics

ERIC Educational Resources Information Center

Schellhammer, Karl Sebastian; Cuniberti, Gianaurelio

2017-01-01

We are hereby presenting a didactic concept for an advanced lab course that focuses on the design of donor materials for organic solar cells. Its research-related and competence-based approach qualifies the students to independently and creatively apply computational methods and to profoundly and critically discuss the results obtained. The high…

Revisiting an Old Methodology for Teaching Counting, Computation, and Place Value: The Effectiveness of the Finger Calculation Method for At-Risk Children

ERIC Educational Resources Information Center

Calder Stegemann, Kim; Grünke, Matthias

2014-01-01

Number sense is critical to the development of higher order mathematic abilities. However, some children have difficulty acquiring these fundamental skills and the knowledge base of effective interventions/remediation is relatively limited. Based on emerging neuro-scientific research which has identified the association between finger…

The Chinese Input Challenges for Chinese as Second Language Learners in Computer-Mediated Writing: An Exploratory Study

ERIC Educational Resources Information Center

Wong, Lung-Hsiang; Chai, Ching-Sing; Gao, Ping

2011-01-01

This paper reports an exploratory study on Singapore secondary and primary school students' perceptions and behaviors on using a variety of Chinese input methods for Chinese composition writing. Significant behavioral patterns were uncovered and mapped into a cognitive process, which are potentially critical to the training of students in…

Eppur Si Muove! The 2013 Nobel Prize in Chemistry

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

Smith, Jeremy C.; Roux, Benoit

2013-12-03

The 2013 Nobel Prize in Chemistry has been awarded to Martin Karplus, Michael Levitt, and Arieh Warshel for their work on developing computational methods to study complex chemical systems. Hence, their work has led to mechanistic critical insights into chemical systems both large and small and has enabled progress in a number of different fields, including structural biology.

Plutonium Critical Mass Curve Comparison to Mass at Upper Subcritical Limit (USL) Using Whisper

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

Alwin, Jennifer Louise; Zhang, Ning

Whisper is computational software designed to assist the nuclear criticality safety analyst with validation studies with the MCNP ® Monte Carlo radiation transport package. Standard approaches to validation rely on the selection of benchmarks based upon expert judgment. Whisper uses sensitivity/uncertainty (S/U) methods to select relevant benchmarks to a particular application or set of applications being analyzed. Using these benchmarks, Whisper computes a calculational margin. Whisper attempts to quantify the margin of subcriticality (MOS) from errors in software and uncertainties in nuclear data. The combination of the Whisper-derived calculational margin and MOS comprise the baseline upper subcritical limit (USL), tomore » which an additional margin may be applied by the nuclear criticality safety analyst as appropriate to ensure subcriticality. A series of critical mass curves for plutonium, similar to those found in Figure 31 of LA-10860-MS, have been generated using MCNP6.1.1 and the iterative parameter study software, WORM_Solver. The baseline USL for each of the data points of the curves was then computed using Whisper 1.1. The USL was then used to determine the equivalent mass for plutonium metal-water system. ANSI/ANS-8.1 states that it is acceptable to use handbook data, such as the data directly from the LA-10860-MS, as it is already considered validated (Section 4.3 4) “Use of subcritical limit data provided in ANSI/ANS standards or accepted reference publications does not require further validation.”). This paper attempts to take a novel approach to visualize traditional critical mass curves and allows comparison with the amount of mass for which the k eff is equal to the USL (calculational margin + margin of subcriticality). However, the intent is to plot the critical mass data along with USL, not to suggest that already accepted handbook data should have new and more rigorous requirements for validation.« less

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

Rational Design of Highly Potent and Slow-Binding Cytochrome bc1 Inhibitor as Fungicide by Computational Substitution Optimization

PubMed Central

Hao, Ge-Fei; Yang, Sheng-Gang; Huang, Wei; Wang, Le; Shen, Yan-Qing; Tu, Wen-Long; Li, Hui; Huang, Li-Shar; Wu, Jia-Wei; Berry, Edward A.; Yang, Guang-Fu

2015-01-01

Hit to lead (H2L) optimization is a key step for drug and agrochemical discovery. A critical challenge for H2L optimization is the low efficiency due to the lack of predictive method with high accuracy. We described a new computational method called Computational Substitution Optimization (CSO) that has allowed us to rapidly identify compounds with cytochrome bc1 complex inhibitory activity in the nanomolar and subnanomolar range. The comprehensively optimized candidate has proved to be a slow binding inhibitor of bc1 complex, ~73-fold more potent (Ki = 4.1 nM) than the best commercial fungicide azoxystrobin (AZ; Ki = 297.6 nM) and shows excellent in vivo fungicidal activity against downy mildew and powdery mildew disease. The excellent correlation between experimental and calculated binding free-energy shifts together with further crystallographic analysis confirmed the prediction accuracy of CSO method. To the best of our knowledge, CSO is a new computational approach to substitution-scanning mutagenesis of ligand and could be used as a general strategy of H2L optimisation in drug and agrochemical design.

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

Advanced display object selection methods for enhancing user-computer productivity

NASA Technical Reports Server (NTRS)

Osga, Glenn A.

1993-01-01

The User-Interface Technology Branch at NCCOSC RDT&E Division has been conducting a series of studies to address the suitability of commercial off-the-shelf (COTS) graphic user-interface (GUI) methods for efficiency and performance in critical naval combat systems. This paper presents an advanced selection algorithm and method developed to increase user performance when making selections on tactical displays. The method has also been applied with considerable success to a variety of cursor and pointing tasks. Typical GUI's allow user selection by: (1) moving a cursor with a pointing device such as a mouse, trackball, joystick, touchscreen; and (2) placing the cursor on the object. Examples of GUI objects are the buttons, icons, folders, scroll bars, etc. used in many personal computer and workstation applications. This paper presents an improved method of selection and the theoretical basis for the significant performance gains achieved with various input devices tested. The method is applicable to all GUI styles and display sizes, and is particularly useful for selections on small screens such as notebook computers. Considering the amount of work-hours spent pointing and clicking across all styles of available graphic user-interfaces, the cost/benefit in applying this method to graphic user-interfaces is substantial, with the potential for increasing productivity across thousands of users and applications.

A Fourier-based total-field/scattered-field technique for three-dimensional broadband simulations of elastic targets near a water-sand interface.

PubMed

Shao, Yu; Wang, Shumin

2016-12-01

The numerical simulation of acoustic scattering from elastic objects near a water-sand interface is critical to underwater target identification. Frequency-domain methods are computationally expensive, especially for large-scale broadband problems. A numerical technique is proposed to enable the efficient use of finite-difference time-domain method for broadband simulations. By incorporating a total-field/scattered-field boundary, the simulation domain is restricted inside a tightly bounded region. The incident field is further synthesized by the Fourier transform for both subcritical and supercritical incidences. Finally, the scattered far field is computed using a half-space Green's function. Numerical examples are further provided to demonstrate the accuracy and efficiency of the proposed technique.

A parameter control method in reinforcement learning to rapidly follow unexpected environmental changes.

PubMed

Murakoshi, Kazushi; Mizuno, Junya

2004-11-01

In order to rapidly follow unexpected environmental changes, we propose a parameter control method in reinforcement learning that changes each of learning parameters in appropriate directions. We determine each appropriate direction on the basis of relationships between behaviors and neuromodulators by considering an emergency as a key word. Computer experiments show that the agents using our proposed method could rapidly respond to unexpected environmental changes, not depending on either two reinforcement learning algorithms (Q-learning and actor-critic (AC) architecture) or two learning problems (discontinuous and continuous state-action problems).

Methods for Efficiently and Accurately Computing Quantum Mechanical Free Energies for Enzyme Catalysis.

PubMed

Kearns, F L; Hudson, P S; Boresch, S; Woodcock, H L

2016-01-01

Enzyme activity is inherently linked to free energies of transition states, ligand binding, protonation/deprotonation, etc.; these free energies, and thus enzyme function, can be affected by residue mutations, allosterically induced conformational changes, and much more. Therefore, being able to predict free energies associated with enzymatic processes is critical to understanding and predicting their function. Free energy simulation (FES) has historically been a computational challenge as it requires both the accurate description of inter- and intramolecular interactions and adequate sampling of all relevant conformational degrees of freedom. The hybrid quantum mechanical molecular mechanical (QM/MM) framework is the current tool of choice when accurate computations of macromolecular systems are essential. Unfortunately, robust and efficient approaches that employ the high levels of computational theory needed to accurately describe many reactive processes (ie, ab initio, DFT), while also including explicit solvation effects and accounting for extensive conformational sampling are essentially nonexistent. In this chapter, we will give a brief overview of two recently developed methods that mitigate several major challenges associated with QM/MM FES: the QM non-Boltzmann Bennett's acceptance ratio method and the QM nonequilibrium work method. We will also describe usage of these methods to calculate free energies associated with (1) relative properties and (2) along reaction paths, using simple test cases with relevance to enzymes examples. © 2016 Elsevier Inc. All rights reserved.

Quantum rendering

NASA Astrophysics Data System (ADS)

Lanzagorta, Marco O.; Gomez, Richard B.; Uhlmann, Jeffrey K.

2003-08-01

In recent years, computer graphics has emerged as a critical component of the scientific and engineering process, and it is recognized as an important computer science research area. Computer graphics are extensively used for a variety of aerospace and defense training systems and by Hollywood's special effects companies. All these applications require the computer graphics systems to produce high quality renderings of extremely large data sets in short periods of time. Much research has been done in "classical computing" toward the development of efficient methods and techniques to reduce the rendering time required for large datasets. Quantum Computing's unique algorithmic features offer the possibility of speeding up some of the known rendering algorithms currently used in computer graphics. In this paper we discuss possible implementations of quantum rendering algorithms. In particular, we concentrate on the implementation of Grover's quantum search algorithm for Z-buffering, ray-tracing, radiosity, and scene management techniques. We also compare the theoretical performance between the classical and quantum versions of the algorithms.

Computer Science and Engineering Students Addressing Critical Issues Regarding Gender Differences in Computing: A Case Study

ERIC Educational Resources Information Center

Tsagala, Evrikleia; Kordaki, Maria

2008-01-01

This study focuses on how Computer Science and Engineering Students (CSESs) of both genders address certain critical issues for gender differences in the field of Computer Science and Engineering (CSE). This case study is based on research conducted on a sample of 99 Greek CSESs, 43 of which were women. More specifically, these students were asked…

Determination of gap solution and critical temperature in doped graphene superconductivity

NASA Astrophysics Data System (ADS)

Xu, Chenmei; Yang, Yisong

2017-04-01

It is shown that the gap solution and critical transition temperature are significantly enhanced by doping in a recently developed BCS formalism for graphene superconductivity in such a way that positive gap and transition temperature both occur in arbitrary pairing coupling as far as doping is present. The analytic construction of the BCS gap and transition temperature offers highly effective globally convergent iterative methods for the computation of these quantities. A series of numerical examples are presented as illustrations which are in agreement with the theoretical and experimental results obtained in the physics literature and consolidate the analytic understanding achieved.

A Synthesis and Survey of Critical Success Factors for Computer Technology Projects

ERIC Educational Resources Information Center

Baker, Ross A.

2012-01-01

The author investigated the existence of critical success factors for computer technology projects. Current research literature and a survey of experienced project managers indicate that there are 23 critical success factors (CSFs) that correlate with project success. The survey gathered an assessment of project success and the degree to which…

Information system needs in health promotion: a case study of the Safe Community programme using requirements engineering methods.

PubMed

Timpka, Toomas; Olvander, Christina; Hallberg, Niklas

2008-09-01

The international Safe Community programme was used as the setting for a case study to explore the need for information system support in health promotion programmes. The 14 Safe Communities active in Sweden during 2002 were invited to participate and 13 accepted. A questionnaire on computer usage and a critical incident technique instrument were distributed. Sharing of management information, creating social capital for safety promotion, and injury data recording were found to be key areas that need to be further supported by computer-based information systems. Most respondents reported having access to a personal computer workstation with standard office software. Interest in using more advanced computer applications was low, and there was considerable need for technical user support. Areas where information systems can be used to make health promotion practice more efficient were identified, and patterns of computers usage were described.

Computers and the Internet: Tools for Youth Empowerment

PubMed Central

2005-01-01

Background Youth are often disenfranchised in their communities and may feel they have little voice. Since computers are an important aspect of youth culture, they may offer solutions to increasing youth participation in communities. Objective This qualitative case study investigated the perceptions of 19 (predominantly female) inner-city school youth about their use of computers and the Internet in a school-based community development project. Methods Youth working with public health nurses in a school-based community development project communicated with local community members using computer-mediated communication, surveyed peers online, built websites, searched for information online, and prepared project materials using computers and the Internet. Participant observation, semistructured interviews, analysis of online messages, and online- and paper-based surveys were used to gather data about youth’s and adults’ perceptions and use of the technologies. Constant comparison method and between-method triangulation were used in the analysis to satisfy the existence of themes. Results Not all youth were interested in working with computers. Some electronic messages from adults were perceived to be critical, and writing to adults was intimidating for some youth. In addition, technical problems were experienced. Despite these barriers, most youth perceived that using computers and the Internet reduced their anxiety concerning communication with adults, increased their control when dealing with adults, raised their perception of their social status, increased participation within the community, supported reflective thought, increased efficiency, and improved their access to resources. Conclusions Overall, youth perceived computers and the Internet to be empowering tools, and they should be encouraged to use such technology to support them in community initiatives. PMID:16403715

Nucleation Rate Analysis of Methane Hydrate from Molecular Dynamics Simulations

DOE PAGES

Yuhara, Daisuke; Barnes, Brian C.; Suh, Donguk; ...

2015-01-06

Clathrate hydrates are solid crystalline structures most commonly formed from solutions that have nucleated to form a mixed solid composed of water and gas. Understanding the mechanism of clathrate hydrate nucleation is essential to grasp the fundamental chemistry of these complex structures and their applications. Molecular dynamics (MD) simulation is an ideal method to study nucleation at the molecular level because the size of the critical nucleus and formation rate occur on the nano scale. Moreover, various analysis methods for nucleation have been developed through MD to analyze nucleation. In particular, the mean first-passage time (MFPT) and survival probability (SP)more » methods have proven to be effective in procuring the nucleation rate and critical nucleus size for monatomic systems. This study assesses the MFPT and SP methods, previously used for monatomic systems, when applied to analyzing clathrate hydrate nucleation. Because clathrate hydrate nucleation is relatively difficult to observe in MD simulations (due to its high free energy barrier), these methods have yet to be applied to clathrate hydrate systems. In this study, we have analyzed the nucleation rate and critical nucleus size of methane hydrate using MFPT and SP methods from data generated by MD simulations at 255 K and 50 MPa. MFPT was modified for clathrate hydrate from the original version by adding the maximum likelihood estimate and growth effect term. The nucleation rates were calculated by MFPT and SP methods and are within 5%; the critical nucleus size estimated by the MFPT method was 50% higher, than values obtained through other more rigorous but computationally expensive estimates. These methods can also be extended to the analysis of other clathrate hydrates.« less

Nucleation Rate Analysis of Methane Hydrate from Molecular Dynamics Simulations

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

Yuhara, Daisuke; Barnes, Brian C.; Suh, Donguk

Clathrate hydrates are solid crystalline structures most commonly formed from solutions that have nucleated to form a mixed solid composed of water and gas. Understanding the mechanism of clathrate hydrate nucleation is essential to grasp the fundamental chemistry of these complex structures and their applications. Molecular dynamics (MD) simulation is an ideal method to study nucleation at the molecular level because the size of the critical nucleus and formation rate occur on the nano scale. Moreover, various analysis methods for nucleation have been developed through MD to analyze nucleation. In particular, the mean first-passage time (MFPT) and survival probability (SP)more » methods have proven to be effective in procuring the nucleation rate and critical nucleus size for monatomic systems. This study assesses the MFPT and SP methods, previously used for monatomic systems, when applied to analyzing clathrate hydrate nucleation. Because clathrate hydrate nucleation is relatively difficult to observe in MD simulations (due to its high free energy barrier), these methods have yet to be applied to clathrate hydrate systems. In this study, we have analyzed the nucleation rate and critical nucleus size of methane hydrate using MFPT and SP methods from data generated by MD simulations at 255 K and 50 MPa. MFPT was modified for clathrate hydrate from the original version by adding the maximum likelihood estimate and growth effect term. The nucleation rates were calculated by MFPT and SP methods and are within 5%; the critical nucleus size estimated by the MFPT method was 50% higher, than values obtained through other more rigorous but computationally expensive estimates. These methods can also be extended to the analysis of other clathrate hydrates.« less

Deep Learning Nuclei Detection in Digitized Histology Images by Superpixels

PubMed Central

Sornapudi, Sudhir; Stanley, Ronald Joe; Stoecker, William V.; Almubarak, Haidar; Long, Rodney; Antani, Sameer; Thoma, George; Zuna, Rosemary; Frazier, Shelliane R.

2018-01-01

Background: Advances in image analysis and computational techniques have facilitated automatic detection of critical features in histopathology images. Detection of nuclei is critical for squamous epithelium cervical intraepithelial neoplasia (CIN) classification into normal, CIN1, CIN2, and CIN3 grades. Methods: In this study, a deep learning (DL)-based nuclei segmentation approach is investigated based on gathering localized information through the generation of superpixels using a simple linear iterative clustering algorithm and training with a convolutional neural network. Results: The proposed approach was evaluated on a dataset of 133 digitized histology images and achieved an overall nuclei detection (object-based) accuracy of 95.97%, with demonstrated improvement over imaging-based and clustering-based benchmark techniques. Conclusions: The proposed DL-based nuclei segmentation Method with superpixel analysis has shown improved segmentation results in comparison to state-of-the-art methods. PMID:29619277

Probabilistic structural analysis methods for improving Space Shuttle engine reliability

NASA Technical Reports Server (NTRS)

Boyce, L.

1989-01-01

Probabilistic structural analysis methods are particularly useful in the design and analysis of critical structural components and systems that operate in very severe and uncertain environments. These methods have recently found application in space propulsion systems to improve the structural reliability of Space Shuttle Main Engine (SSME) components. A computer program, NESSUS, based on a deterministic finite-element program and a method of probabilistic analysis (fast probability integration) provides probabilistic structural analysis for selected SSME components. While computationally efficient, it considers both correlated and nonnormal random variables as well as an implicit functional relationship between independent and dependent variables. The program is used to determine the response of a nickel-based superalloy SSME turbopump blade. Results include blade tip displacement statistics due to the variability in blade thickness, modulus of elasticity, Poisson's ratio or density. Modulus of elasticity significantly contributed to blade tip variability while Poisson's ratio did not. Thus, a rational method for choosing parameters to be modeled as random is provided.

Identifying early-warning signals of critical transitions with strong noise by dynamical network markers

PubMed Central

Liu, Rui; Chen, Pei; Aihara, Kazuyuki; Chen, Luonan

2015-01-01

Identifying early-warning signals of a critical transition for a complex system is difficult, especially when the target system is constantly perturbed by big noise, which makes the traditional methods fail due to the strong fluctuations of the observed data. In this work, we show that the critical transition is not traditional state-transition but probability distribution-transition when the noise is not sufficiently small, which, however, is a ubiquitous case in real systems. We present a model-free computational method to detect the warning signals before such transitions. The key idea behind is a strategy: “making big noise smaller” by a distribution-embedding scheme, which transforms the data from the observed state-variables with big noise to their distribution-variables with small noise, and thus makes the traditional criteria effective because of the significantly reduced fluctuations. Specifically, increasing the dimension of the observed data by moment expansion that changes the system from state-dynamics to probability distribution-dynamics, we derive new data in a higher-dimensional space but with much smaller noise. Then, we develop a criterion based on the dynamical network marker (DNM) to signal the impending critical transition using the transformed higher-dimensional data. We also demonstrate the effectiveness of our method in biological, ecological and financial systems. PMID:26647650

Potential-scour assessments and estimates of scour depth using different techniques at selected bridge sites in Missouri

USGS Publications Warehouse

Huizinga, Richard J.; Rydlund, Jr., Paul H.

2004-01-01

The evaluation of scour at bridges throughout the state of Missouri has been ongoing since 1991 in a cooperative effort by the U.S. Geological Survey and Missouri Department of Transportation. A variety of assessment methods have been used to identify bridges susceptible to scour and to estimate scour depths. A potential-scour assessment (Level 1) was used at 3,082 bridges to identify bridges that might be susceptible to scour. A rapid estimation method (Level 1+) was used to estimate contraction, pier, and abutment scour depths at 1,396 bridge sites to identify bridges that might be scour critical. A detailed hydraulic assessment (Level 2) was used to compute contraction, pier, and abutment scour depths at 398 bridges to determine which bridges are scour critical and would require further monitoring or application of scour countermeasures. The rapid estimation method (Level 1+) was designed to be a conservative estimator of scour depths compared to depths computed by a detailed hydraulic assessment (Level 2). Detailed hydraulic assessments were performed at 316 bridges that also had received a rapid estimation assessment, providing a broad data base to compare the two scour assessment methods. The scour depths computed by each of the two methods were compared for bridges that had similar discharges. For Missouri, the rapid estimation method (Level 1+) did not provide a reasonable conservative estimate of the detailed hydraulic assessment (Level 2) scour depths for contraction scour, but the discrepancy was the result of using different values for variables that were common to both of the assessment methods. The rapid estimation method (Level 1+) was a reasonable conservative estimator of the detailed hydraulic assessment (Level 2) scour depths for pier scour if the pier width is used for piers without footing exposure and the footing width is used for piers with footing exposure. Detailed hydraulic assessment (Level 2) scour depths were conservatively estimated by the rapid estimation method (Level 1+) for abutment scour, but there was substantial variability in the estimates and several substantial underestimations.

SCALE Continuous-Energy Eigenvalue Sensitivity Coefficient Calculations

DOE PAGES

Perfetti, Christopher M.; Rearden, Bradley T.; Martin, William R.

2016-02-25

Sensitivity coefficients describe the fractional change in a system response that is induced by changes to system parameters and nuclear data. The Tools for Sensitivity and UNcertainty Analysis Methodology Implementation (TSUNAMI) code within the SCALE code system makes use of eigenvalue sensitivity coefficients for an extensive number of criticality safety applications, including quantifying the data-induced uncertainty in the eigenvalue of critical systems, assessing the neutronic similarity between different critical systems, and guiding nuclear data adjustment studies. The need to model geometrically complex systems with improved fidelity and the desire to extend TSUNAMI analysis to advanced applications has motivated the developmentmore » of a methodology for calculating sensitivity coefficients in continuous-energy (CE) Monte Carlo applications. The Contributon-Linked eigenvalue sensitivity/Uncertainty estimation via Tracklength importance CHaracterization (CLUTCH) and Iterated Fission Probability (IFP) eigenvalue sensitivity methods were recently implemented in the CE-KENO framework of the SCALE code system to enable TSUNAMI-3D to perform eigenvalue sensitivity calculations using continuous-energy Monte Carlo methods. This work provides a detailed description of the theory behind the CLUTCH method and describes in detail its implementation. This work explores the improvements in eigenvalue sensitivity coefficient accuracy that can be gained through the use of continuous-energy sensitivity methods and also compares several sensitivity methods in terms of computational efficiency and memory requirements.« less

Probabilistic Structural Analysis Program

NASA Technical Reports Server (NTRS)

Pai, Shantaram S.; Chamis, Christos C.; Murthy, Pappu L. N.; Stefko, George L.; Riha, David S.; Thacker, Ben H.; Nagpal, Vinod K.; Mital, Subodh K.

2010-01-01

NASA/NESSUS 6.2c is a general-purpose, probabilistic analysis program that computes probability of failure and probabilistic sensitivity measures of engineered systems. Because NASA/NESSUS uses highly computationally efficient and accurate analysis techniques, probabilistic solutions can be obtained even for extremely large and complex models. Once the probabilistic response is quantified, the results can be used to support risk-informed decisions regarding reliability for safety-critical and one-of-a-kind systems, as well as for maintaining a level of quality while reducing manufacturing costs for larger-quantity products. NASA/NESSUS has been successfully applied to a diverse range of problems in aerospace, gas turbine engines, biomechanics, pipelines, defense, weaponry, and infrastructure. This program combines state-of-the-art probabilistic algorithms with general-purpose structural analysis and lifting methods to compute the probabilistic response and reliability of engineered structures. Uncertainties in load, material properties, geometry, boundary conditions, and initial conditions can be simulated. The structural analysis methods include non-linear finite-element methods, heat-transfer analysis, polymer/ceramic matrix composite analysis, monolithic (conventional metallic) materials life-prediction methodologies, boundary element methods, and user-written subroutines. Several probabilistic algorithms are available such as the advanced mean value method and the adaptive importance sampling method. NASA/NESSUS 6.2c is structured in a modular format with 15 elements.

Study of Fuze Structure and Reliability Design Based on the Direct Search Method

NASA Astrophysics Data System (ADS)

Lin, Zhang; Ning, Wang

2017-03-01

Redundant design is one of the important methods to improve the reliability of the system, but mutual coupling of multiple factors is often involved in the design. In my study, Direct Search Method is introduced into the optimum redundancy configuration for design optimization, in which, the reliability, cost, structural weight and other factors can be taken into account simultaneously, and the redundant allocation and reliability design of aircraft critical system are computed. The results show that this method is convenient and workable, and applicable to the redundancy configurations and optimization of various designs upon appropriate modifications. And this method has a good practical value.

Handbook of Analytical Methods for Textile Composites

NASA Technical Reports Server (NTRS)

Cox, Brian N.; Flanagan, Gerry

1997-01-01

The purpose of this handbook is to introduce models and computer codes for predicting the properties of textile composites. The handbook includes several models for predicting the stress-strain response all the way to ultimate failure; methods for assessing work of fracture and notch sensitivity; and design rules for avoiding certain critical mechanisms of failure, such as delamination, by proper textile design. The following textiles received some treatment: 2D woven, braided, and knitted/stitched laminates and 3D interlock weaves, and braids.

Developing a 'personalome' for precision medicine: emerging methods that compute interpretable effect sizes from single-subject transcriptomes.

PubMed

Vitali, Francesca; Li, Qike; Schissler, A Grant; Berghout, Joanne; Kenost, Colleen; Lussier, Yves A

2017-12-18

The development of computational methods capable of analyzing -omics data at the individual level is critical for the success of precision medicine. Although unprecedented opportunities now exist to gather data on an individual's -omics profile ('personalome'), interpreting and extracting meaningful information from single-subject -omics remain underdeveloped, particularly for quantitative non-sequence measurements, including complete transcriptome or proteome expression and metabolite abundance. Conventional bioinformatics approaches have largely been designed for making population-level inferences about 'average' disease processes; thus, they may not adequately capture and describe individual variability. Novel approaches intended to exploit a variety of -omics data are required for identifying individualized signals for meaningful interpretation. In this review-intended for biomedical researchers, computational biologists and bioinformaticians-we survey emerging computational and translational informatics methods capable of constructing a single subject's 'personalome' for predicting clinical outcomes or therapeutic responses, with an emphasis on methods that provide interpretable readouts. (i) the single-subject analytics of the transcriptome shows the greatest development to date and, (ii) the methods were all validated in simulations, cross-validations or independent retrospective data sets. This survey uncovers a growing field that offers numerous opportunities for the development of novel validation methods and opens the door for future studies focusing on the interpretation of comprehensive 'personalomes' through the integration of multiple -omics, providing valuable insights into individual patient outcomes and treatments. © The Author 2017. Published by Oxford University Press.

Evaluation of direct and indirect additive manufacture of maxillofacial prostheses.

PubMed

Eggbeer, Dominic; Bibb, Richard; Evans, Peter; Ji, Lu

2012-09-01

The efficacy of computer-aided technologies in the design and manufacture of maxillofacial prostheses has not been fully proven. This paper presents research into the evaluation of direct and indirect additive manufacture of a maxillofacial prosthesis against conventional laboratory-based techniques. An implant/magnet-retained nasal prosthesis case from a UK maxillofacial unit was selected as a case study. A benchmark prosthesis was fabricated using conventional laboratory-based techniques for comparison against additive manufactured prostheses. For the computer-aided workflow, photogrammetry, computer-aided design and additive manufacture (AM) methods were evaluated in direct prosthesis body fabrication and indirect production using an additively manufactured mould. Qualitative analysis of position, shape, colour and edge quality was undertaken. Mechanical testing to ISO standards was also used to compare the silicone rubber used in the conventional prosthesis with the AM material. Critical evaluation has shown that utilising a computer-aided work-flow can produce a prosthesis body that is comparable to that produced using existing best practice. Technical limitations currently prevent the direct fabrication method demonstrated in this paper from being clinically viable. This research helps prosthesis providers understand the application of a computer-aided approach and guides technology developers and researchers to address the limitations identified.

Computing the motor torque of Escherichia coli.

PubMed

Das, Debasish; Lauga, Eric

2018-06-13

The rotary motor of bacteria is a natural nano-technological marvel that enables cell locomotion by powering the rotation of semi-rigid helical flagellar filaments in fluid environments. It is well known that the motor operates essentially at constant torque in counter-clockwise direction but past work have reported a large range of values of this torque. Focusing on Escherichia coli cells that are swimming and cells that are stuck on a glass surface for which all geometrical and environmental parameters are known (N. C. Darnton et al., J. Bacteriol., 2007, 189, 1756-1764), we use two validated numerical methods to compute the value of the motor torque consistent with experiments. Specifically, we use (and compare) a numerical method based on the boundary integral representation of Stokes flow and also develop a hybrid method combining boundary element and slender body theory to model the cell body and flagellar filament, respectively. Using measured rotation speed of the motor, our computations predict a value of the motor torque in the range 440 pN nm to 829 pN nm, depending critically on the distance between the flagellar filaments and the nearby surface.

CO2 capture in amine solutions: modelling and simulations with non-empirical methods

NASA Astrophysics Data System (ADS)

Andreoni, Wanda; Pietrucci, Fabio

2016-12-01

Absorption in aqueous amine solutions is the most advanced technology for the capture of CO2, although suffering from drawbacks that do not allow exploitation on large scale. The search for optimum solvents has been pursued with empirical methods and has also motivated a number of computational approaches over the last decade. However, a deeper level of understanding of the relevant chemical reactions in solution is required so as to contribute to this effort. We present here a brief critical overview of the most recent applications of computer simulations using ab initio methods. Comparison of their outcome shows a strong dependence on the structural models employed to represent the molecular systems in solution and on the strategy used to simulate the reactions. In particular, the results of very recent ab initio molecular dynamics augmented with metadynamics are summarized, showing the crucial role of water, which has been so far strongly underestimated both in the calculations and in the interpretation of experimental data. Indications are given for advances in computational approaches that are necessary if meant to contribute to the rational design of new solvents.

Robust Duplication with Comparison Methods in Microcontrollers

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

Quinn, Heather Marie; Baker, Zachary Kent; Fairbanks, Thomas D.

Commercial microprocessors could be useful computational platforms in space systems, as long as the risk is bound. Many spacecraft are computationally constrained because all of the computation is done on a single radiation-hardened microprocessor. It is possible that a commercial microprocessor could be used for configuration, monitoring and background tasks that are not mission critical. Most commercial microprocessors are affected by radiation, including single-event effects (SEEs) that could be destructive to the component or corrupt the data. Part screening can help designers avoid components with destructive failure modes, and mitigation can suppress data corruption. We have been experimenting with amore » method for masking radiation-induced faults through the software executing on the microprocessor. While triple-modular redundancy (TMR) techniques are very effective at masking faults in software, the increased amount of execution time to complete the computation is not desirable. Here in this article we present a technique for combining duplication with compare (DWC) with TMR that decreases observable errors by as much as 145 times with only a 2.35 time decrease in performance.« less

Robust Duplication with Comparison Methods in Microcontrollers

DOE PAGES

Quinn, Heather Marie; Baker, Zachary Kent; Fairbanks, Thomas D.; ...

2016-01-01

Commercial microprocessors could be useful computational platforms in space systems, as long as the risk is bound. Many spacecraft are computationally constrained because all of the computation is done on a single radiation-hardened microprocessor. It is possible that a commercial microprocessor could be used for configuration, monitoring and background tasks that are not mission critical. Most commercial microprocessors are affected by radiation, including single-event effects (SEEs) that could be destructive to the component or corrupt the data. Part screening can help designers avoid components with destructive failure modes, and mitigation can suppress data corruption. We have been experimenting with amore » method for masking radiation-induced faults through the software executing on the microprocessor. While triple-modular redundancy (TMR) techniques are very effective at masking faults in software, the increased amount of execution time to complete the computation is not desirable. Here in this article we present a technique for combining duplication with compare (DWC) with TMR that decreases observable errors by as much as 145 times with only a 2.35 time decrease in performance.« less

Reactor Statics Module, RS-9: Multigroup Diffusion Program Using an Exponential Acceleration Technique.

ERIC Educational Resources Information Center

Macek, Victor C.

The nine Reactor Statics Modules are designed to introduce students to the use of numerical methods and digital computers for calculation of neutron flux distributions in space and energy which are needed to calculate criticality, power distribution, and fuel burnup for both slow neutron and fast neutron fission reactors. The last module, RS-9,…

Numerical Differentiation Methods for Computing Error Covariance Matrices in Item Response Theory Modeling: An Evaluation and a New Proposal

ERIC Educational Resources Information Center

Tian, Wei; Cai, Li; Thissen, David; Xin, Tao

2013-01-01

In item response theory (IRT) modeling, the item parameter error covariance matrix plays a critical role in statistical inference procedures. When item parameters are estimated using the EM algorithm, the parameter error covariance matrix is not an automatic by-product of item calibration. Cai proposed the use of Supplemented EM algorithm for…

New Trends of Digital Data Storage in DNA

PubMed Central

2016-01-01

With the exponential growth in the capacity of information generated and the emerging need for data to be stored for prolonged period of time, there emerges a need for a storage medium with high capacity, high storage density, and possibility to withstand extreme environmental conditions. DNA emerges as the prospective medium for data storage with its striking features. Diverse encoding models for reading and writing data onto DNA, codes for encrypting data which addresses issues of error generation, and approaches for developing codons and storage styles have been developed over the recent past. DNA has been identified as a potential medium for secret writing, which achieves the way towards DNA cryptography and stenography. DNA utilized as an organic memory device along with big data storage and analytics in DNA has paved the way towards DNA computing for solving computational problems. This paper critically analyzes the various methods used for encoding and encrypting data onto DNA while identifying the advantages and capability of every scheme to overcome the drawbacks identified priorly. Cryptography and stenography techniques have been analyzed in a critical approach while identifying the limitations of each method. This paper also identifies the advantages and limitations of DNA as a memory device and memory applications. PMID:27689089

GPU-based stochastic-gradient optimization for non-rigid medical image registration in time-critical applications

NASA Astrophysics Data System (ADS)

Bhosale, Parag; Staring, Marius; Al-Ars, Zaid; Berendsen, Floris F.

2018-03-01

Currently, non-rigid image registration algorithms are too computationally intensive to use in time-critical applications. Existing implementations that focus on speed typically address this by either parallelization on GPU-hardware, or by introducing methodically novel techniques into CPU-oriented algorithms. Stochastic gradient descent (SGD) optimization and variations thereof have proven to drastically reduce the computational burden for CPU-based image registration, but have not been successfully applied in GPU hardware due to its stochastic nature. This paper proposes 1) NiftyRegSGD, a SGD optimization for the GPU-based image registration tool NiftyReg, 2) random chunk sampler, a new random sampling strategy that better utilizes the memory bandwidth of GPU hardware. Experiments have been performed on 3D lung CT data of 19 patients, which compared NiftyRegSGD (with and without random chunk sampler) with CPU-based elastix Fast Adaptive SGD (FASGD) and NiftyReg. The registration runtime was 21.5s, 4.4s and 2.8s for elastix-FASGD, NiftyRegSGD without, and NiftyRegSGD with random chunk sampling, respectively, while similar accuracy was obtained. Our method is publicly available at https://github.com/SuperElastix/NiftyRegSGD.

New Trends of Digital Data Storage in DNA.

PubMed

De Silva, Pavani Yashodha; Ganegoda, Gamage Upeksha

With the exponential growth in the capacity of information generated and the emerging need for data to be stored for prolonged period of time, there emerges a need for a storage medium with high capacity, high storage density, and possibility to withstand extreme environmental conditions. DNA emerges as the prospective medium for data storage with its striking features. Diverse encoding models for reading and writing data onto DNA, codes for encrypting data which addresses issues of error generation, and approaches for developing codons and storage styles have been developed over the recent past. DNA has been identified as a potential medium for secret writing, which achieves the way towards DNA cryptography and stenography. DNA utilized as an organic memory device along with big data storage and analytics in DNA has paved the way towards DNA computing for solving computational problems. This paper critically analyzes the various methods used for encoding and encrypting data onto DNA while identifying the advantages and capability of every scheme to overcome the drawbacks identified priorly. Cryptography and stenography techniques have been analyzed in a critical approach while identifying the limitations of each method. This paper also identifies the advantages and limitations of DNA as a memory device and memory applications.

Slicing Method for curved façade and window extraction from point clouds

NASA Astrophysics Data System (ADS)

Iman Zolanvari, S. M.; Laefer, Debra F.

2016-09-01

Laser scanning technology is a fast and reliable method to survey structures. However, the automatic conversion of such data into solid models for computation remains a major challenge, especially where non-rectilinear features are present. Since, openings and the overall dimensions of the buildings are the most critical elements in computational models for structural analysis, this article introduces the Slicing Method as a new, computationally-efficient method for extracting overall façade and window boundary points for reconstructing a façade into a geometry compatible for computational modelling. After finding a principal plane, the technique slices a façade into limited portions, with each slice representing a unique, imaginary section passing through a building. This is done along a façade's principal axes to segregate window and door openings from structural portions of the load-bearing masonry walls. The method detects each opening area's boundaries, as well as the overall boundary of the façade, in part, by using a one-dimensional projection to accelerate processing. Slices were optimised as 14.3 slices per vertical metre of building and 25 slices per horizontal metre of building, irrespective of building configuration or complexity. The proposed procedure was validated by its application to three highly decorative, historic brick buildings. Accuracy in excess of 93% was achieved with no manual intervention on highly complex buildings and nearly 100% on simple ones. Furthermore, computational times were less than 3 sec for data sets up to 2.6 million points, while similar existing approaches required more than 16 hr for such datasets.

A satellite-based radar wind sensor

NASA Technical Reports Server (NTRS)

Xin, Weizhuang

1991-01-01

The objective is to investigate the application of Doppler radar systems for global wind measurement. A model of the satellite-based radar wind sounder (RAWS) is discussed, and many critical problems in the designing process, such as the antenna scan pattern, tracking the Doppler shift caused by satellite motion, and backscattering of radar signals from different types of clouds, are discussed along with their computer simulations. In addition, algorithms for measuring mean frequency of radar echoes, such as the Fast Fourier Transform (FFT) estimator, the covariance estimator, and the estimators based on autoregressive models, are discussed. Monte Carlo computer simulations were used to compare the performance of these algorithms. Anti-alias methods are discussed for the FFT and the autoregressive methods. Several algorithms for reducing radar ambiguity were studied, such as random phase coding methods and staggered pulse repitition frequncy (PRF) methods. Computer simulations showed that these methods are not applicable to the RAWS because of the broad spectral widths of the radar echoes from clouds. A waveform modulation method using the concept of spread spectrum and correlation detection was developed to solve the radar ambiguity. Radar ambiguity functions were used to analyze the effective signal-to-noise ratios for the waveform modulation method. The results showed that, with suitable bandwidth product and modulation of the waveform, this method can achieve the desired maximum range and maximum frequency of the radar system.

Efficient convolutional sparse coding

DOEpatents

Wohlberg, Brendt

2017-06-20

Computationally efficient algorithms may be applied for fast dictionary learning solving the convolutional sparse coding problem in the Fourier domain. More specifically, efficient convolutional sparse coding may be derived within an alternating direction method of multipliers (ADMM) framework that utilizes fast Fourier transforms (FFT) to solve the main linear system in the frequency domain. Such algorithms may enable a significant reduction in computational cost over conventional approaches by implementing a linear solver for the most critical and computationally expensive component of the conventional iterative algorithm. The theoretical computational cost of the algorithm may be reduced from O(M.sup.3N) to O(MN log N), where N is the dimensionality of the data and M is the number of elements in the dictionary. This significant improvement in efficiency may greatly increase the range of problems that can practically be addressed via convolutional sparse representations.

Integrated control and health management. Orbit transfer rocket engine technology program

NASA Technical Reports Server (NTRS)

Holzmann, Wilfried A.; Hayden, Warren R.

1988-01-01

To insure controllability of the baseline design for a 7500 pound thrust, 10:1 throttleable, dual expanded cycle, Hydrogen-Oxygen, orbit transfer rocket engine, an Integrated Controls and Health Monitoring concept was developed. This included: (1) Dynamic engine simulations using a TUTSIM derived computer code; (2) analysis of various control methods; (3) Failure Modes Analysis to identify critical sensors; (4) Survey of applicable sensors technology; and, (5) Study of Health Monitoring philosophies. The engine design was found to be controllable over the full throttling range by using 13 valves, including an oxygen turbine bypass valve to control mixture ratio, and a hydrogen turbine bypass valve, used in conjunction with the oxygen bypass to control thrust. Classic feedback control methods are proposed along with specific requirements for valves, sensors, and the controller. Expanding on the control system, a Health Monitoring system is proposed including suggested computing methods and the following recommended sensors: (1) Fiber optic and silicon bearing deflectometers; (2) Capacitive shaft displacement sensors; and (3) Hot spot thermocouple arrays. Further work is needed to refine and verify the dynamic simulations and control algorithms, to advance sensor capabilities, and to develop the Health Monitoring computational methods.

Commercialization of NESSUS: Status

NASA Technical Reports Server (NTRS)

Thacker, Ben H.; Millwater, Harry R.

1991-01-01

A plan was initiated in 1988 to commercialize the Numerical Evaluation of Stochastic Structures Under Stress (NESSUS) probabilistic structural analysis software. The goal of the on-going commercialization effort is to begin the transfer of Probabilistic Structural Analysis Method (PSAM) developed technology into industry and to develop additional funding resources in the general area of structural reliability. The commercialization effort is summarized. The SwRI NESSUS Software System is a general purpose probabilistic finite element computer program using state of the art methods for predicting stochastic structural response due to random loads, material properties, part geometry, and boundary conditions. NESSUS can be used to assess structural reliability, to compute probability of failure, to rank the input random variables by importance, and to provide a more cost effective design than traditional methods. The goal is to develop a general probabilistic structural analysis methodology to assist in the certification of critical components in the next generation Space Shuttle Main Engine.

Effects of inductive bias on computational evaluations of ligand-based modeling and on drug discovery

NASA Astrophysics Data System (ADS)

Cleves, Ann E.; Jain, Ajay N.

2008-03-01

Inductive bias is the set of assumptions that a person or procedure makes in making a prediction based on data. Different methods for ligand-based predictive modeling have different inductive biases, with a particularly sharp contrast between 2D and 3D similarity methods. A unique aspect of ligand design is that the data that exist to test methodology have been largely man-made, and that this process of design involves prediction. By analyzing the molecular similarities of known drugs, we show that the inductive bias of the historic drug discovery process has a very strong 2D bias. In studying the performance of ligand-based modeling methods, it is critical to account for this issue in dataset preparation, use of computational controls, and in the interpretation of results. We propose specific strategies to explicitly address the problems posed by inductive bias considerations.

Peculiarities of field penetration in the presence of cross-flux interaction

NASA Astrophysics Data System (ADS)

Berseth, V.; Buzdin, A. I.; Indenbom, M. V.; Benoit, W.

1996-02-01

The attractive core interaction between two orthogonal vortex lattices in alayered superconductor is calculated. When one of these lattices is moving, this interaction gives rise to a drag force acting on the other one. Considering a moving in-plane flux lattice, the effect of the drag force on the perpendicular flux is modelled through a modification of the bulk critical current for this field component. The new critical current depends on the direction of motion of both parallel and perpendicular vortices. The results are derived within the critical-state model for the infinite slab and for the thin strip. For this latter geometry, computations are made with the help of a new numerical method simulating flux penetration in the critical state. The new predicted qualitative phenomena (like the formation of a vortex-free region between two zones of opposite flux in the flat geometry) can be directly verified by the magneto-optic technique.

PRO-Elicere: A Study for Create a New Process of Dependability Analysis of Space Computer Systems

NASA Astrophysics Data System (ADS)

da Silva, Glauco; Netto Lahoz, Carlos Henrique

2013-09-01

This paper presents the new approach to the computer system dependability analysis, called PRO-ELICERE, which introduces data mining concepts and intelligent mechanisms to decision support to analyze the potential hazards and failures of a critical computer system. Also, are presented some techniques and tools that support the traditional dependability analysis and briefly discusses the concept of knowledge discovery and intelligent databases for critical computer systems. After that, introduces the PRO-ELICERE process, an intelligent approach to automate the ELICERE, a process created to extract non-functional requirements for critical computer systems. The PRO-ELICERE can be used in the V&V activities in the projects of Institute of Aeronautics and Space, such as the Brazilian Satellite Launcher (VLS-1).

The Robin Hood method - A novel numerical method for electrostatic problems based on a non-local charge transfer

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

Lazic, Predrag; Stefancic, Hrvoje; Abraham, Hrvoje

2006-03-20

We introduce a novel numerical method, named the Robin Hood method, of solving electrostatic problems. The approach of the method is closest to the boundary element methods, although significant conceptual differences exist with respect to this class of methods. The method achieves equipotentiality of conducting surfaces by iterative non-local charge transfer. For each of the conducting surfaces, non-local charge transfers are performed between surface elements, which differ the most from the targeted equipotentiality of the surface. The method is tested against analytical solutions and its wide range of application is demonstrated. The method has appealing technical characteristics. For the problemmore » with N surface elements, the computational complexity of the method essentially scales with N {sup {alpha}}, where {alpha} < 2, the required computer memory scales with N, while the error of the potential decreases exponentially with the number of iterations for many orders of magnitude of the error, without the presence of the Critical Slowing Down. The Robin Hood method could prove useful in other classical or even quantum problems. Some future development ideas for possible applications outside electrostatics are addressed.« less

The Identification, Implementation, and Evaluation of Critical User Interface Design Features of Computer-Assisted Instruction Programs in Mathematics for Students with Learning Disabilities

ERIC Educational Resources Information Center

Seo, You-Jin; Woo, Honguk

2010-01-01

Critical user interface design features of computer-assisted instruction programs in mathematics for students with learning disabilities and corresponding implementation guidelines were identified in this study. Based on the identified features and guidelines, a multimedia computer-assisted instruction program, "Math Explorer", which delivers…

Computer Simulations to Support Science Instruction and Learning: A Critical Review of the Literature

ERIC Educational Resources Information Center

Smetana, Lara Kathleen; Bell, Randy L.

2012-01-01

Researchers have explored the effectiveness of computer simulations for supporting science teaching and learning during the past four decades. The purpose of this paper is to provide a comprehensive, critical review of the literature on the impact of computer simulations on science teaching and learning, with the goal of summarizing what is…

RICIS Symposium 1992: Mission and Safety Critical Systems Research and Applications

NASA Technical Reports Server (NTRS)

1992-01-01

This conference deals with computer systems which control systems whose failure to operate correctly could produce the loss of life and or property, mission and safety critical systems. Topics covered are: the work of standards groups, computer systems design and architecture, software reliability, process control systems, knowledge based expert systems, and computer and telecommunication protocols.

Identifying controlling variables for math computation fluency through experimental analysis: the interaction of stimulus control and reinforcing consequences.

PubMed

Hofstadter-Duke, Kristi L; Daly, Edward J

2015-03-01

This study investigated a method for conducting experimental analyses of academic responding. In the experimental analyses, academic responding (math computation), rather than problem behavior, was reinforced across conditions. Two separate experimental analyses (one with fluent math computation problems and one with non-fluent math computation problems) were conducted with three elementary school children using identical contingencies while math computation rate was measured. Results indicate that the experimental analysis with non-fluent problems produced undifferentiated responding across participants; however, differentiated responding was achieved for all participants in the experimental analysis with fluent problems. A subsequent comparison of the single-most effective condition from the experimental analyses replicated the findings with novel computation problems. Results are discussed in terms of the critical role of stimulus control in identifying controlling consequences for academic deficits, and recommendations for future research refining and extending experimental analysis to academic responding are made. © The Author(s) 2014.

Computational Approaches to Nucleic Acid Origami.

PubMed

Jabbari, Hosna; Aminpour, Maral; Montemagno, Carlo

2015-10-12

Recent advances in experimental DNA origami have dramatically expanded the horizon of DNA nanotechnology. Complex 3D suprastructures have been designed and developed using DNA origami with applications in biomaterial science, nanomedicine, nanorobotics, and molecular computation. Ribonucleic acid (RNA) origami has recently been realized as a new approach. Similar to DNA, RNA molecules can be designed to form complex 3D structures through complementary base pairings. RNA origami structures are, however, more compact and more thermodynamically stable due to RNA's non-canonical base pairing and tertiary interactions. With all these advantages, the development of RNA origami lags behind DNA origami by a large gap. Furthermore, although computational methods have proven to be effective in designing DNA and RNA origami structures and in their evaluation, advances in computational nucleic acid origami is even more limited. In this paper, we review major milestones in experimental and computational DNA and RNA origami and present current challenges in these fields. We believe collaboration between experimental nanotechnologists and computer scientists are critical for advancing these new research paradigms.

Data collapse and critical dynamics in neuronal avalanche data

NASA Astrophysics Data System (ADS)

Butler, Thomas; Friedman, Nir; Dahmen, Karin; Beggs, John; Deville, Lee; Ito, Shinya

2012-02-01

The tasks of information processing, computation, and response to stimuli require neural computation to be remarkably flexible and diverse. To optimally satisfy the demands of neural computation, neuronal networks have been hypothesized to operate near a non-equilibrium critical point. In spite of their importance for neural dynamics, experimental evidence for critical dynamics has been primarily limited to power law statistics that can also emerge from non-critical mechanisms. By tracking the firing of large numbers of synaptically connected cortical neurons and comparing the resulting data to the predictions of critical phenomena, we show that cortical tissues in vitro can function near criticality. Among the most striking predictions of critical dynamics is that the mean temporal profiles of avalanches of widely varying durations are quantitatively described by a single universal scaling function (data collapse). We show for the first time that this prediction is confirmed in neuronal networks. We also show that the data have three additional features predicted by critical phenomena: approximate power law distributions of avalanche sizes and durations, samples in subcritical and supercritical phases, and scaling laws between anomalous exponents.

Computer-Assisted Diagnosis of the Sleep Apnea-Hypopnea Syndrome: A Review

PubMed Central

Alvarez-Estevez, Diego; Moret-Bonillo, Vicente

2015-01-01

Automatic diagnosis of the Sleep Apnea-Hypopnea Syndrome (SAHS) has become an important area of research due to the growing interest in the field of sleep medicine and the costs associated with its manual diagnosis. The increment and heterogeneity of the different techniques, however, make it somewhat difficult to adequately follow the recent developments. A literature review within the area of computer-assisted diagnosis of SAHS has been performed comprising the last 15 years of research in the field. Screening approaches, methods for the detection and classification of respiratory events, comprehensive diagnostic systems, and an outline of current commercial approaches are reviewed. An overview of the different methods is presented together with validation analysis and critical discussion of the current state of the art. PMID:26266052

A FORTRAN technique for correlating a circular environmental variable with a linear physiological variable in the sugar maple.

PubMed

Pease, J M; Morselli, M F

1987-01-01

This paper deals with a computer program adapted to a statistical method for analyzing an unlimited quantity of binary recorded data of an independent circular variable (e.g. wind direction), and a linear variable (e.g. maple sap flow volume). Circular variables cannot be statistically analyzed with linear methods, unless they have been transformed. The program calculates a critical quantity, the acrophase angle (PHI, phi o). The technique is adapted from original mathematics [1] and is written in Fortran 77 for easier conversion between computer networks. Correlation analysis can be performed following the program or regression which, because of the circular nature of the independent variable, becomes periodic regression. The technique was tested on a file of approximately 4050 data pairs.

Computer literacy for life sciences: helping the digital-era biology undergraduates face today's research.

PubMed

Smolinski, Tomasz G

2010-01-01

Computer literacy plays a critical role in today's life sciences research. Without the ability to use computers to efficiently manipulate and analyze large amounts of data resulting from biological experiments and simulations, many of the pressing questions in the life sciences could not be answered. Today's undergraduates, despite the ubiquity of computers in their lives, seem to be largely unfamiliar with how computers are being used to pursue and answer such questions. This article describes an innovative undergraduate-level course, titled Computer Literacy for Life Sciences, that aims to teach students the basics of a computerized scientific research pursuit. The purpose of the course is for students to develop a hands-on working experience in using standard computer software tools as well as computer techniques and methodologies used in life sciences research. This paper provides a detailed description of the didactical tools and assessment methods used in and outside of the classroom as well as a discussion of the lessons learned during the first installment of the course taught at Emory University in fall semester 2009.

Bayesian methodology for the design and interpretation of clinical trials in critical care medicine: a primer for clinicians.

PubMed

Kalil, Andre C; Sun, Junfeng

2014-10-01

To review Bayesian methodology and its utility to clinical decision making and research in the critical care field. Clinical, epidemiological, and biostatistical studies on Bayesian methods in PubMed and Embase from their inception to December 2013. Bayesian methods have been extensively used by a wide range of scientific fields, including astronomy, engineering, chemistry, genetics, physics, geology, paleontology, climatology, cryptography, linguistics, ecology, and computational sciences. The application of medical knowledge in clinical research is analogous to the application of medical knowledge in clinical practice. Bedside physicians have to make most diagnostic and treatment decisions on critically ill patients every day without clear-cut evidence-based medicine (more subjective than objective evidence). Similarly, clinical researchers have to make most decisions about trial design with limited available data. Bayesian methodology allows both subjective and objective aspects of knowledge to be formally measured and transparently incorporated into the design, execution, and interpretation of clinical trials. In addition, various degrees of knowledge and several hypotheses can be tested at the same time in a single clinical trial without the risk of multiplicity. Notably, the Bayesian technology is naturally suited for the interpretation of clinical trial findings for the individualized care of critically ill patients and for the optimization of public health policies. We propose that the application of the versatile Bayesian methodology in conjunction with the conventional statistical methods is not only ripe for actual use in critical care clinical research but it is also a necessary step to maximize the performance of clinical trials and its translation to the practice of critical care medicine.

Advanced Computational Aeroacoustics Methods for Fan Noise Prediction

NASA Technical Reports Server (NTRS)

Envia, Edmane (Technical Monitor); Tam, Christopher

2003-01-01

Direct computation of fan noise is presently not possible. One of the major difficulties is the geometrical complexity of the problem. In the case of fan noise, the blade geometry is critical to the loading on the blade and hence the intensity of the radiated noise. The precise geometry must be incorporated into the computation. In computational fluid dynamics (CFD), there are two general ways to handle problems with complex geometry. One way is to use unstructured grids. The other is to use body fitted overset grids. In the overset grid method, accurate data transfer is of utmost importance. For acoustic computation, it is not clear that the currently used data transfer methods are sufficiently accurate as not to contaminate the very small amplitude acoustic disturbances. In CFD, low order schemes are, invariably, used in conjunction with unstructured grids. However, low order schemes are known to be numerically dispersive and dissipative. dissipative errors are extremely undesirable for acoustic wave problems. The objective of this project is to develop a high order unstructured grid Dispersion-Relation-Preserving (DRP) scheme. would minimize numerical dispersion and dissipation errors. contains the results of the funded portion of the project. scheme on an unstructured grid has been developed. constructed in the wave number space. The characteristics of the scheme can be improved by the inclusion of additional constraints. Stability of the scheme has been investigated. Stability can be improved by adopting the upwinding strategy.

Critical fault patterns determination in fault-tolerant computer systems

NASA Technical Reports Server (NTRS)

Mccluskey, E. J.; Losq, J.

1978-01-01

The method proposed tries to enumerate all the critical fault-patterns (successive occurrences of failures) without analyzing every single possible fault. The conditions for the system to be operating in a given mode can be expressed in terms of the static states. Thus, one can find all the system states that correspond to a given critical mode of operation. The next step consists in analyzing the fault-detection mechanisms, the diagnosis algorithm and the process of switch control. From them, one can find all the possible system configurations that can result from a failure occurrence. Thus, one can list all the characteristics, with respect to detection, diagnosis, and switch control, that failures must have to constitute critical fault-patterns. Such an enumeration of the critical fault-patterns can be directly used to evaluate the overall system tolerance to failures. Present research is focused on how to efficiently make use of these system-level characteristics to enumerate all the failures that verify these characteristics.

SU-E-T-628: A Cloud Computing Based Multi-Objective Optimization Method for Inverse Treatment Planning.

PubMed

Na, Y; Suh, T; Xing, L

2012-06-01

Multi-objective (MO) plan optimization entails generation of an enormous number of IMRT or VMAT plans constituting the Pareto surface, which presents a computationally challenging task. The purpose of this work is to overcome the hurdle by developing an efficient MO method using emerging cloud computing platform. As a backbone of cloud computing for optimizing inverse treatment planning, Amazon Elastic Compute Cloud with a master node (17.1 GB memory, 2 virtual cores, 420 GB instance storage, 64-bit platform) is used. The master node is able to scale seamlessly a number of working group instances, called workers, based on the user-defined setting account for MO functions in clinical setting. Each worker solved the objective function with an efficient sparse decomposition method. The workers are automatically terminated if there are finished tasks. The optimized plans are archived to the master node to generate the Pareto solution set. Three clinical cases have been planned using the developed MO IMRT and VMAT planning tools to demonstrate the advantages of the proposed method. The target dose coverage and critical structure sparing of plans are comparable obtained using the cloud computing platform are identical to that obtained using desktop PC (Intel Xeon® CPU 2.33GHz, 8GB memory). It is found that the MO planning speeds up the processing of obtaining the Pareto set substantially for both types of plans. The speedup scales approximately linearly with the number of nodes used for computing. With the use of N nodes, the computational time is reduced by the fitting model, 0.2+2.3/N, with r̂2>0.99, on average of the cases making real-time MO planning possible. A cloud computing infrastructure is developed for MO optimization. The algorithm substantially improves the speed of inverse plan optimization. The platform is valuable for both MO planning and future off- or on-line adaptive re-planning. © 2012 American Association of Physicists in Medicine.

Stability of Solutions to Classes of Traveling Salesman Problems.

PubMed

Niendorf, Moritz; Kabamba, Pierre T; Girard, Anouck R

2016-04-01

By performing stability analysis on an optimal tour for problems belonging to classes of the traveling salesman problem (TSP), this paper derives margins of optimality for a solution with respect to disturbances in the problem data. Specifically, we consider the asymmetric sequence-dependent TSP, where the sequence dependence is driven by the dynamics of a stack. This is a generalization of the symmetric non sequence-dependent version of the TSP. Furthermore, we also consider the symmetric sequence-dependent variant and the asymmetric non sequence-dependent variant. Amongst others these problems have applications in logistics and unmanned aircraft mission planning. Changing external conditions such as traffic or weather may alter task costs, which can render an initially optimal itinerary suboptimal. Instead of optimizing the itinerary every time task costs change, stability criteria allow for fast evaluation of whether itineraries remain optimal. This paper develops a method to compute stability regions for the best tour in a set of tours for the symmetric TSP and extends the results to the asymmetric problem as well as their sequence-dependent counterparts. As the TSP is NP-hard, heuristic methods are frequently used to solve it. The presented approach is also applicable to analyze stability regions for a tour obtained through application of the k -opt heuristic with respect to the k -neighborhood. A dimensionless criticality metric for edges is proposed, such that a high criticality of an edge indicates that the optimal tour is more susceptible to cost changes in that edge. Multiple examples demonstrate the application of the developed stability computation method as well as the edge criticality measure that facilitates an intuitive assessment of instances of the TSP.

Measurement of the main and critical parameters for optimal laser treatment of heart disease

NASA Astrophysics Data System (ADS)

Kabeya, FB; Abrahamse, H.; Karsten, AE

2017-10-01

Laser light is frequently used in the diagnosis and treatment of patients. As in traditional treatments such as medication, bypass surgery, and minimally invasive ways, laser treatment can also fail and present serious side effects. The true reason for laser treatment failure or the side effects thereof, remains unknown. From the literature review conducted, and experimental results generated we conclude that an optimal laser treatment for coronary artery disease (named heart disease) can be obtained if certain critical parameters are correctly measured and understood. These parameters include the laser power, the laser beam profile, the fluence rate, the treatment time, as well as the absorption and scattering coefficients of the target treatment tissue. Therefore, this paper proposes different, accurate methods for the measurement of these critical parameters to determine the optimal laser treatment of heart disease with a minimal risk of side effects. The results from the measurement of absorption and scattering properties can be used in a computer simulation package to predict the fluence rate. The computing technique is a program based on the random number (Monte Carlo) process and probability statistics to track the propagation of photons through a biological tissue.

Monte Carlo Techniques for Nuclear Systems - Theory Lectures

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

Brown, Forrest B.

These are lecture notes for a Monte Carlo class given at the University of New Mexico. The following topics are covered: course information; nuclear eng. review & MC; random numbers and sampling; computational geometry; collision physics; tallies and statistics; eigenvalue calculations I; eigenvalue calculations II; eigenvalue calculations III; variance reduction; parallel Monte Carlo; parameter studies; fission matrix and higher eigenmodes; doppler broadening; Monte Carlo depletion; HTGR modeling; coupled MC and T/H calculations; fission energy deposition. Solving particle transport problems with the Monte Carlo method is simple - just simulate the particle behavior. The devil is in the details, however. Thesemore » lectures provide a balanced approach to the theory and practice of Monte Carlo simulation codes. The first lectures provide an overview of Monte Carlo simulation methods, covering the transport equation, random sampling, computational geometry, collision physics, and statistics. The next lectures focus on the state-of-the-art in Monte Carlo criticality simulations, covering the theory of eigenvalue calculations, convergence analysis, dominance ratio calculations, bias in Keff and tallies, bias in uncertainties, a case study of a realistic calculation, and Wielandt acceleration techniques. The remaining lectures cover advanced topics, including HTGR modeling and stochastic geometry, temperature dependence, fission energy deposition, depletion calculations, parallel calculations, and parameter studies. This portion of the class focuses on using MCNP to perform criticality calculations for reactor physics and criticality safety applications. It is an intermediate level class, intended for those with at least some familiarity with MCNP. Class examples provide hands-on experience at running the code, plotting both geometry and results, and understanding the code output. The class includes lectures & hands-on computer use for a variety of Monte Carlo calculations. Beginning MCNP users are encouraged to review LA-UR-09-00380, "Criticality Calculations with MCNP: A Primer (3nd Edition)" (available at http:// mcnp.lanl.gov under "Reference Collection") prior to the class. No Monte Carlo class can be complete without having students write their own simple Monte Carlo routines for basic random sampling, use of the random number generator, and simplified particle transport simulation.« less

3D DEM analyses of the 1963 Vajont rock slide

NASA Astrophysics Data System (ADS)

Boon, Chia Weng; Houlsby, Guy; Utili, Stefano

2013-04-01

The 1963 Vajont rock slide has been modelled using the distinct element method (DEM). The open-source DEM code, YADE (Kozicki & Donzé, 2008), was used together with the contact detection algorithm proposed by Boon et al. (2012). The critical sliding friction angle at the slide surface was sought using a strength reduction approach. A shear-softening contact model was used to model the shear resistance of the clayey layer at the slide surface. The results suggest that the critical sliding friction angle can be conservative if stability analyses are calculated based on the peak friction angles. The water table was assumed to be horizontal and the pore pressure at the clay layer was assumed to be hydrostatic. The influence of reservoir filling was marginal, increasing the sliding friction angle by only 1.6˚. The results of the DEM calculations were found to be sensitive to the orientations of the bedding planes and cross-joints. Finally, the failure mechanism was investigated and arching was found to be present at the bend of the chair-shaped slope. References Boon C.W., Houlsby G.T., Utili S. (2012). A new algorithm for contact detection between convex polygonal and polyhedral particles in the discrete element method. Computers and Geotechnics, vol 44, 73-82, doi.org/10.1016/j.compgeo.2012.03.012. Kozicki, J., & Donzé, F. V. (2008). A new open-source software developed for numerical simulations using discrete modeling methods. Computer Methods in Applied Mechanics and Engineering, 197(49-50), 4429-4443.

Applying analytic hierarchy process to assess healthcare-oriented cloud computing service systems.

PubMed

Liao, Wen-Hwa; Qiu, Wan-Li

2016-01-01

Numerous differences exist between the healthcare industry and other industries. Difficulties in the business operation of the healthcare industry have continually increased because of the volatility and importance of health care, changes to and requirements of health insurance policies, and the statuses of healthcare providers, which are typically considered not-for-profit organizations. Moreover, because of the financial risks associated with constant changes in healthcare payment methods and constantly evolving information technology, healthcare organizations must continually adjust their business operation objectives; therefore, cloud computing presents both a challenge and an opportunity. As a response to aging populations and the prevalence of the Internet in fast-paced contemporary societies, cloud computing can be used to facilitate the task of balancing the quality and costs of health care. To evaluate cloud computing service systems for use in health care, providing decision makers with a comprehensive assessment method for prioritizing decision-making factors is highly beneficial. Hence, this study applied the analytic hierarchy process, compared items related to cloud computing and health care, executed a questionnaire survey, and then classified the critical factors influencing healthcare cloud computing service systems on the basis of statistical analyses of the questionnaire results. The results indicate that the primary factor affecting the design or implementation of optimal cloud computing healthcare service systems is cost effectiveness, with the secondary factors being practical considerations such as software design and system architecture.

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

PubMed

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

2014-01-01

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

Exploiting interfacial water properties for desalination and purification applications.

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

Xu, Hongwu; Varma, Sameer; Nyman, May Devan

2008-09-01

A molecular-scale interpretation of interfacial processes is often downplayed in the analysis of traditional water treatment methods. However, such an approach is critical for the development of enhanced performance in traditional desalination and water treatments. Water confined between surfaces, within channels, or in pores is ubiquitous in technology and nature. Its physical and chemical properties in such environments are unpredictably different from bulk water. As a result, advances in water desalination and purification methods may be accomplished through an improved analysis of water behavior in these challenging environments using state-of-the-art microscopy, spectroscopy, experimental, and computational methods.

Ultrasonic Phased Array Inspection for an Isogrid Structural Element with Cracks

NASA Technical Reports Server (NTRS)

Roth, D. J.; Tokars, R. P.; Martin, R. E.; Rauser, R. W.; Aldrin, J. C.; Schumacher, E. J.

2010-01-01

In this investigation, a T-shaped aluminum alloy isogrid stiffener element used in aerospace applications was inspected with ultrasonic phased array methods. The isogrid stiffener element had various crack configurations emanating from bolt holes. Computational simulation methods were used to mimic the experiments in order to help understand experimental results. The results of this study indicate that it is at least partly feasible to interrogate this type of geometry with the given flaw configurations using phased array ultrasonics. The simulation methods were critical in helping explain the experimental results and, with some limitation, can be used to predict inspection results.

An approximate methods approach to probabilistic structural analysis

NASA Technical Reports Server (NTRS)

Mcclung, R. C.; Millwater, H. R.; Wu, Y.-T.; Thacker, B. H.; Burnside, O. H.

1989-01-01

A probabilistic structural analysis method (PSAM) is described which makes an approximate calculation of the structural response of a system, including the associated probabilistic distributions, with minimal computation time and cost, based on a simplified representation of the geometry, loads, and material. The method employs the fast probability integration (FPI) algorithm of Wu and Wirsching. Typical solution strategies are illustrated by formulations for a representative critical component chosen from the Space Shuttle Main Engine (SSME) as part of a major NASA-sponsored program on PSAM. Typical results are presented to demonstrate the role of the methodology in engineering design and analysis.

Multicomponent Density Functional Theory: Impact of Nuclear Quantum Effects on Proton Affinities and Geometries.

PubMed

Brorsen, Kurt R; Yang, Yang; Hammes-Schiffer, Sharon

2017-08-03

Nuclear quantum effects such as zero point energy play a critical role in computational chemistry and often are included as energetic corrections following geometry optimizations. The nuclear-electronic orbital (NEO) multicomponent density functional theory (DFT) method treats select nuclei, typically protons, quantum mechanically on the same level as the electrons. Electron-proton correlation is highly significant, and inadequate treatments lead to highly overlocalized nuclear densities. A recently developed electron-proton correlation functional, epc17, has been shown to provide accurate nuclear densities for molecular systems. Herein, the NEO-DFT/epc17 method is used to compute the proton affinities for a set of molecules and to examine the role of nuclear quantum effects on the equilibrium geometry of FHF - . The agreement of the computed results with experimental and benchmark values demonstrates the promise of this approach for including nuclear quantum effects in calculations of proton affinities, pK a 's, optimized geometries, and reaction paths.

Computer-Assisted Concept Mapping: Visual Aids for Knowledge Construction.

PubMed

Mammen, Jennifer R

2016-07-01

Concept mapping is a visual representation of ideas that facilitates critical thinking and is applicable to many areas of nursing education. Computer-assisted concept maps are more flexible and less constrained than traditional paper methods, allowing for analysis and synthesis of complex topics and larger amounts of data. Ability to iteratively revise and collaboratively create computerized maps can contribute to enhanced interpersonal learning. However, there is limited awareness of free software that can support these types of applications. This educational brief examines affordances and limitations of computer-assisted concept maps and reviews free software for development of complex, collaborative malleable maps. Free software, such as VUE, XMind, MindMaple, and others, can substantially contribute to the utility of concept mapping for nursing education. Computerized concept-mapping is an important tool for nursing and is likely to hold greater benefit for students and faculty than traditional pen-and-paper methods alone. [J Nurs Educ. 2016;55(7):403-406.]. Copyright 2016, SLACK Incorporated.

Neighbour lists for smoothed particle hydrodynamics on GPUs

NASA Astrophysics Data System (ADS)

Winkler, Daniel; Rezavand, Massoud; Rauch, Wolfgang

2018-04-01

The efficient iteration of neighbouring particles is a performance critical aspect of any high performance smoothed particle hydrodynamics (SPH) solver. SPH solvers that implement a constant smoothing length generally divide the simulation domain into a uniform grid to reduce the computational complexity of the neighbour search. Based on this method, particle neighbours are either stored per grid cell or for each individual particle, denoted as Verlet list. While the latter approach has significantly higher memory requirements, it has the potential for a significant computational speedup. A theoretical comparison is performed to estimate the potential improvements of the method based on unknown hardware dependent factors. Subsequently, the computational performance of both approaches is empirically evaluated on graphics processing units. It is shown that the speedup differs significantly for different hardware, dimensionality and floating point precision. The Verlet list algorithm is implemented as an alternative to the cell linked list approach in the open-source SPH solver DualSPHysics and provided as a standalone software package.

Deterministically estimated fission source distributions for Monte Carlo k-eigenvalue problems

DOE PAGES

Biondo, Elliott D.; Davidson, Gregory G.; Pandya, Tara M.; ...

2018-04-30

The standard Monte Carlo (MC) k-eigenvalue algorithm involves iteratively converging the fission source distribution using a series of potentially time-consuming inactive cycles before quantities of interest can be tallied. One strategy for reducing the computational time requirements of these inactive cycles is the Sourcerer method, in which a deterministic eigenvalue calculation is performed to obtain an improved initial guess for the fission source distribution. This method has been implemented in the Exnihilo software suite within SCALE using the SPNSPN or SNSN solvers in Denovo and the Shift MC code. The efficacy of this method is assessed with different Denovo solutionmore » parameters for a series of typical k-eigenvalue problems including small criticality benchmarks, full-core reactors, and a fuel cask. Here it is found that, in most cases, when a large number of histories per cycle are required to obtain a detailed flux distribution, the Sourcerer method can be used to reduce the computational time requirements of the inactive cycles.« less

Computer-Aided Design of Low-Noise Microwave Circuits

NASA Astrophysics Data System (ADS)

Wedge, Scott William

1991-02-01

Devoid of most natural and manmade noise, microwave frequencies have detection sensitivities limited by internally generated receiver noise. Low-noise amplifiers are therefore critical components in radio astronomical antennas, communications links, radar systems, and even home satellite dishes. A general technique to accurately predict the noise performance of microwave circuits has been lacking. Current noise analysis methods have been limited to specific circuit topologies or neglect correlation, a strong effect in microwave devices. Presented here are generalized methods, developed for computer-aided design implementation, for the analysis of linear noisy microwave circuits comprised of arbitrarily interconnected components. Included are descriptions of efficient algorithms for the simultaneous analysis of noisy and deterministic circuit parameters based on a wave variable approach. The methods are therefore particularly suited to microwave and millimeter-wave circuits. Noise contributions from lossy passive components and active components with electronic noise are considered. Also presented is a new technique for the measurement of device noise characteristics that offers several advantages over current measurement methods.

Deterministically estimated fission source distributions for Monte Carlo k-eigenvalue problems

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

Biondo, Elliott D.; Davidson, Gregory G.; Pandya, Tara M.

The standard Monte Carlo (MC) k-eigenvalue algorithm involves iteratively converging the fission source distribution using a series of potentially time-consuming inactive cycles before quantities of interest can be tallied. One strategy for reducing the computational time requirements of these inactive cycles is the Sourcerer method, in which a deterministic eigenvalue calculation is performed to obtain an improved initial guess for the fission source distribution. This method has been implemented in the Exnihilo software suite within SCALE using the SPNSPN or SNSN solvers in Denovo and the Shift MC code. The efficacy of this method is assessed with different Denovo solutionmore » parameters for a series of typical k-eigenvalue problems including small criticality benchmarks, full-core reactors, and a fuel cask. Here it is found that, in most cases, when a large number of histories per cycle are required to obtain a detailed flux distribution, the Sourcerer method can be used to reduce the computational time requirements of the inactive cycles.« less

A survey of computational methods and error rate estimation procedures for peptide and protein identification in shotgun proteomics

PubMed Central

Nesvizhskii, Alexey I.

2010-01-01

This manuscript provides a comprehensive review of the peptide and protein identification process using tandem mass spectrometry (MS/MS) data generated in shotgun proteomic experiments. The commonly used methods for assigning peptide sequences to MS/MS spectra are critically discussed and compared, from basic strategies to advanced multi-stage approaches. A particular attention is paid to the problem of false-positive identifications. Existing statistical approaches for assessing the significance of peptide to spectrum matches are surveyed, ranging from single-spectrum approaches such as expectation values to global error rate estimation procedures such as false discovery rates and posterior probabilities. The importance of using auxiliary discriminant information (mass accuracy, peptide separation coordinates, digestion properties, and etc.) is discussed, and advanced computational approaches for joint modeling of multiple sources of information are presented. This review also includes a detailed analysis of the issues affecting the interpretation of data at the protein level, including the amplification of error rates when going from peptide to protein level, and the ambiguities in inferring the identifies of sample proteins in the presence of shared peptides. Commonly used methods for computing protein-level confidence scores are discussed in detail. The review concludes with a discussion of several outstanding computational issues. PMID:20816881

Control surface hinge moment prediction using computational fluid dynamics

NASA Astrophysics Data System (ADS)

Simpson, Christopher David

The following research determines the feasibility of predicting control surface hinge moments using various computational methods. A detailed analysis is conducted using a 2D GA(W)-1 airfoil with a 20% plain flap. Simple hinge moment prediction methods are tested, including empirical Datcom relations and XFOIL. Steady-state and time-accurate turbulent, viscous, Navier-Stokes solutions are computed using Fun3D. Hinge moment coefficients are computed. Mesh construction techniques are discussed. An adjoint-based mesh adaptation case is also evaluated. An NACA 0012 45-degree swept horizontal stabilizer with a 25% elevator is also evaluated using Fun3D. Results are compared with experimental wind-tunnel data obtained from references. Finally, the costs of various solution methods are estimated. Results indicate that while a steady-state Navier-Stokes solution can accurately predict control surface hinge moments for small angles of attack and deflection angles, a time-accurate solution is necessary to accurately predict hinge moments in the presence of flow separation. The ability to capture the unsteady vortex shedding behavior present in moderate to large control surface deflections is found to be critical to hinge moment prediction accuracy. Adjoint-based mesh adaptation is shown to give hinge moment predictions similar to a globally-refined mesh for a steady-state 2D simulation.

Burst wait time simulation of CALIBAN reactor at delayed super-critical state

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

Humbert, P.; Authier, N.; Richard, B.

2012-07-01

In the past, the super prompt critical wait time probability distribution was measured on CALIBAN fast burst reactor [4]. Afterwards, these experiments were simulated with a very good agreement by solving the non-extinction probability equation [5]. Recently, the burst wait time probability distribution has been measured at CEA-Valduc on CALIBAN at different delayed super-critical states [6]. However, in the delayed super-critical case the non-extinction probability does not give access to the wait time distribution. In this case it is necessary to compute the time dependent evolution of the full neutron count number probability distribution. In this paper we present themore » point model deterministic method used to calculate the probability distribution of the wait time before a prescribed count level taking into account prompt neutrons and delayed neutron precursors. This method is based on the solution of the time dependent adjoint Kolmogorov master equations for the number of detections using the generating function methodology [8,9,10] and inverse discrete Fourier transforms. The obtained results are then compared to the measurements and Monte-Carlo calculations based on the algorithm presented in [7]. (authors)« less

Detecting critical state before phase transition of complex systems by hidden Markov model

NASA Astrophysics Data System (ADS)

Liu, Rui; Chen, Pei; Li, Yongjun; Chen, Luonan

Identifying the critical state or pre-transition state just before the occurrence of a phase transition is a challenging task, because the state of the system may show little apparent change before this critical transition during the gradual parameter variations. Such dynamics of phase transition is generally composed of three stages, i.e., before-transition state, pre-transition state, and after-transition state, which can be considered as three different Markov processes. Thus, based on this dynamical feature, we present a novel computational method, i.e., hidden Markov model (HMM), to detect the switching point of the two Markov processes from the before-transition state (a stationary Markov process) to the pre-transition state (a time-varying Markov process), thereby identifying the pre-transition state or early-warning signals of the phase transition. To validate the effectiveness, we apply this method to detect the signals of the imminent phase transitions of complex systems based on the simulated datasets, and further identify the pre-transition states as well as their critical modules for three real datasets, i.e., the acute lung injury triggered by phosgene inhalation, MCF-7 human breast cancer caused by heregulin, and HCV-induced dysplasia and hepatocellular carcinoma.

Literary and Electronic Hypertext: Borges, Criticism, Literary Research, and the Computer.

ERIC Educational Resources Information Center

Davison, Ned J.

1991-01-01

Examines what "hypertext" means to literary criticism on the one hand (i.e., intertextuality) and computing on the other, to determine how the two concepts may serve each other in a mutually productive way. (GLR)

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.

Automated Transfer Vehicle (ATV) Critical Safety Software Overview

NASA Astrophysics Data System (ADS)

Berthelier, D.

2002-01-01

The European Automated Transfer Vehicle is an unmanned transportation system designed to dock to International Space Station (ISS) and to contribute to the logistic servicing of the ISS. Concisely, ATV control is realized by a nominal flight control function (using computers, softwares, sensors, actuators). In order to cover the extreme situations where this nominal chain can not ensure safe trajectory with respect to ISS, a segregated proximity flight safety function is activated, where unsafe free drift trajectories can be encountered. This function relies notably on a segregated computer, the Monitoring and Safing Unit (MSU) ; in case of major ATV malfunction detection, ATV is then controlled by MSU software. Therefore, this software is critical because a MSU software failure could result in catastrophic consequences. This paper provides an overview both of this software functions and of the software development and validation method which is specific considering its criticality. First part of the paper describes briefly the proximity flight safety chain. Second part deals with the software functions. Indeed, MSU software is in charge of monitoring nominal computers and ATV corridors, using its own navigation algorithms, and, if an abnormal situation is detected, it is in charge of the ATV control during the Collision Avoidance Manoeuvre (CAM) consisting in an attitude controlled braking boost, followed by a Post-CAM manoeuvre : a Sun-pointed ATV attitude control during up to 24 hours on a safe trajectory. Monitoring, navigation and control algorithms principles are presented. Third part of this paper describes the development and validation process : algorithms functional studies , ADA coding and unit validations ; algorithms ADA code integration and validation on a specific non real-time MATLAB/SIMULINK simulator ; global software functional engineering phase, architectural design, unit testing, integration and validation on target computer.

Method for optimizing channelized quadratic observers for binary classification of large-dimensional image datasets

PubMed Central

Kupinski, M. K.; Clarkson, E.

2015-01-01

We present a new method for computing optimized channels for channelized quadratic observers (CQO) that is feasible for high-dimensional image data. The method for calculating channels is applicable in general and optimal for Gaussian distributed image data. Gradient-based algorithms for determining the channels are presented for five different information-based figures of merit (FOMs). Analytic solutions for the optimum channels for each of the five FOMs are derived for the case of equal mean data for both classes. The optimum channels for three of the FOMs under the equal mean condition are shown to be the same. This result is critical since some of the FOMs are much easier to compute. Implementing the CQO requires a set of channels and the first- and second-order statistics of channelized image data from both classes. The dimensionality reduction from M measurements to L channels is a critical advantage of CQO since estimating image statistics from channelized data requires smaller sample sizes and inverting a smaller covariance matrix is easier. In a simulation study we compare the performance of ideal and Hotelling observers to CQO. The optimal CQO channels are calculated using both eigenanalysis and a new gradient-based algorithm for maximizing Jeffrey's divergence (J). Optimal channel selection without eigenanalysis makes the J-CQO on large-dimensional image data feasible. PMID:26366764

Computer work and musculoskeletal disorders of the neck and upper extremity: A systematic review

PubMed Central

2010-01-01

Background This review examines the evidence for an association between computer work and neck and upper extremity disorders (except carpal tunnel syndrome). Methods A systematic critical review of studies of computer work and musculoskeletal disorders verified by a physical examination was performed. Results A total of 22 studies (26 articles) fulfilled the inclusion criteria. Results show limited evidence for a causal relationship between computer work per se, computer mouse and keyboard time related to a diagnosis of wrist tendonitis, and for an association between computer mouse time and forearm disorders. Limited evidence was also found for a causal relationship between computer work per se and computer mouse time related to tension neck syndrome, but the evidence for keyboard time was insufficient. Insufficient evidence was found for an association between other musculoskeletal diagnoses of the neck and upper extremities, including shoulder tendonitis and epicondylitis, and any aspect of computer work. Conclusions There is limited epidemiological evidence for an association between aspects of computer work and some of the clinical diagnoses studied. None of the evidence was considered as moderate or strong and there is a need for more and better documentation. PMID:20429925

Epidemic dynamics and endemic states in complex networks

NASA Astrophysics Data System (ADS)

Pastor-Satorras, Romualdo; Vespignani, Alessandro

2001-06-01

We study by analytical methods and large scale simulations a dynamical model for the spreading of epidemics in complex networks. In networks with exponentially bounded connectivity we recover the usual epidemic behavior with a threshold defining a critical point below that the infection prevalence is null. On the contrary, on a wide range of scale-free networks we observe the absence of an epidemic threshold and its associated critical behavior. This implies that scale-free networks are prone to the spreading and the persistence of infections whatever spreading rate the epidemic agents might possess. These results can help understanding computer virus epidemics and other spreading phenomena on communication and social networks.

Manufacturing Methods and Technology Project Summary Reports

DTIC Science & Technology

1986-07-01

Yuma Proving Ground in January 1985. The ARBAT system provides a unique real-time computer capability to identify all critical flight...cheaper tnaii the existing radar system. This prototype is expected to save over ^1 million per year at Yuma Proving Grounds . TECOM is planning to...purchase 4 production ballistic radar systems to be installed at Yuma Proving Grounds , Dugway Proving Grounds , and Jefferson Proving Grounds at a

Aerodynamic Validation of Emerging Projectile and Missile Configurations

DTIC Science & Technology

2010-12-01

Inflation Layers at the Surface of the M549 Projectile....................................39 Figure 33. Probe Profile from Nose to Shock Front...behavior is critical for the design of new projectile shapes. The conventional approach to predict this aerodynamic behavior is through wind tunnel ...tool to study fluid flows and complements empirical methods and wind tunnel testing. In this study, the computer program ANSYS CFX was used to

Deep Learning Nuclei Detection in Digitized Histology Images by Superpixels.

PubMed

Sornapudi, Sudhir; Stanley, Ronald Joe; Stoecker, William V; Almubarak, Haidar; Long, Rodney; Antani, Sameer; Thoma, George; Zuna, Rosemary; Frazier, Shelliane R

2018-01-01

Advances in image analysis and computational techniques have facilitated automatic detection of critical features in histopathology images. Detection of nuclei is critical for squamous epithelium cervical intraepithelial neoplasia (CIN) classification into normal, CIN1, CIN2, and CIN3 grades. In this study, a deep learning (DL)-based nuclei segmentation approach is investigated based on gathering localized information through the generation of superpixels using a simple linear iterative clustering algorithm and training with a convolutional neural network. The proposed approach was evaluated on a dataset of 133 digitized histology images and achieved an overall nuclei detection (object-based) accuracy of 95.97%, with demonstrated improvement over imaging-based and clustering-based benchmark techniques. The proposed DL-based nuclei segmentation Method with superpixel analysis has shown improved segmentation results in comparison to state-of-the-art methods.

Computer Security: Improvements Needed to Reduce Risk to Critical Federal Operations and Assets

DTIC Science & Technology

2001-11-09

COMPUTER SECURITY Improvements Needed to Reduce Risk to Critical Federal Operations and Assets Statement of Robert F. Dacey Director, Information...Improvements Needed to Reduce Risk to Critical Federal Operations and Assets Contract Number Grant Number Program Element Number Author(s...The benefits have been enormous. Vast amounts of information are now literally at our fingertips, facilitating research on virtually every topic

Computer-Aided Argument Mapping in an EFL Setting: Does Technology Precede Traditional Paper and Pencil Approach in Developing Critical Thinking?

ERIC Educational Resources Information Center

Eftekhari, Maryam; Sotoudehnama, Elaheh; Marandi, S. Susan

2016-01-01

Developing higher-order critical thinking skills as one of the central objectives of education has been recently facilitated via software packages. Whereas one such technology as computer-aided argument mapping is reported to enhance levels of critical thinking (van Gelder 2001), its application as a pedagogical tool in English as a Foreign…

Evolutionary Computation for the Identification of Emergent Behavior in Autonomous Systems

NASA Technical Reports Server (NTRS)

Terrile, Richard J.; Guillaume, Alexandre

2009-01-01

Over the past several years the Center for Evolutionary Computation and Automated Design at the Jet Propulsion Laboratory has developed a technique based on Evolutionary Computational Methods (ECM) that allows for the automated optimization of complex computationally modeled systems. An important application of this technique is for the identification of emergent behaviors in autonomous systems. Mobility platforms such as rovers or airborne vehicles are now being designed with autonomous mission controllers that can find trajectories over a solution space that is larger than can reasonably be tested. It is critical to identify control behaviors that are not predicted and can have surprising results (both good and bad). These emergent behaviors need to be identified, characterized and either incorporated into or isolated from the acceptable range of control characteristics. We use cluster analysis of automatically retrieved solutions to identify isolated populations of solutions with divergent behaviors.

Optimal directed searches for continuous gravitational waves

NASA Astrophysics Data System (ADS)

Ming, Jing; Krishnan, Badri; Papa, Maria Alessandra; Aulbert, Carsten; Fehrmann, Henning

2016-03-01

Wide parameter space searches for long-lived continuous gravitational wave signals are computationally limited. It is therefore critically important that the available computational resources are used rationally. In this paper we consider directed searches, i.e., targets for which the sky position is known accurately but the frequency and spin-down parameters are completely unknown. Given a list of such potential astrophysical targets, we therefore need to prioritize. On which target(s) should we spend scarce computing resources? What parameter space region in frequency and spin-down should we search through? Finally, what is the optimal search setup that we should use? In this paper we present a general framework that allows us to solve all three of these problems. This framework is based on maximizing the probability of making a detection subject to a constraint on the maximum available computational cost. We illustrate the method for a simplified problem.

High-reliability computing for the smarter planet

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

Quinn, Heather M; Graham, Paul; Manuzzato, Andrea

2010-01-01

The geometric rate of improvement of transistor size and integrated circuit performance, known as Moore's Law, has been an engine of growth for our economy, enabling new products and services, creating new value and wealth, increasing safety, and removing menial tasks from our daily lives. Affordable, highly integrated components have enabled both life-saving technologies and rich entertainment applications. Anti-lock brakes, insulin monitors, and GPS-enabled emergency response systems save lives. Cell phones, internet appliances, virtual worlds, realistic video games, and mp3 players enrich our lives and connect us together. Over the past 40 years of silicon scaling, the increasing capabilities ofmore » inexpensive computation have transformed our society through automation and ubiquitous communications. In this paper, we will present the concept of the smarter planet, how reliability failures affect current systems, and methods that can be used to increase the reliable adoption of new automation in the future. We will illustrate these issues using a number of different electronic devices in a couple of different scenarios. Recently IBM has been presenting the idea of a 'smarter planet.' In smarter planet documents, IBM discusses increased computer automation of roadways, banking, healthcare, and infrastructure, as automation could create more efficient systems. A necessary component of the smarter planet concept is to ensure that these new systems have very high reliability. Even extremely rare reliability problems can easily escalate to problematic scenarios when implemented at very large scales. For life-critical systems, such as automobiles, infrastructure, medical implantables, and avionic systems, unmitigated failures could be dangerous. As more automation moves into these types of critical systems, reliability failures will need to be managed. As computer automation continues to increase in our society, the need for greater radiation reliability is necessary. Already critical infrastructure is failing too frequently. In this paper, we will introduce the Cross-Layer Reliability concept for designing more reliable computer systems.« less

Some system considerations in configuring a digital flight control - navigation system

NASA Technical Reports Server (NTRS)

Boone, J. H.; Flynn, G. R.

1976-01-01

A trade study was conducted with the objective of providing a technical guideline for selection of the most appropriate computer technology for the automatic flight control system of a civil subsonic jet transport. The trade study considers aspects of using either an analog, incremental type special purpose computer or a general purpose computer to perform critical autopilot computation functions. It also considers aspects of integration of noncritical autopilot and autothrottle modes into the computer performing the critical autoland functions, as compared to the federation of the noncritical modes into either a separate computer or with a R-Nav computer. The study is accomplished by establishing the relative advantages and/or risks associated with each of the computer configurations.

Development of an Axisymmetric Afterbody Test Case for Turbulent Flow Separation Validation

NASA Technical Reports Server (NTRS)

Disotell, Kevin J.; Rumsey, Christopher L.

2017-01-01

As identified in the CFD Vision 2030 Study commissioned by NASA, validation of advanced RANS models and scale-resolving methods for computing turbulent flows must be supported by improvements in high-quality experiments designed specifically for CFD implementation. A new test platform referred to as the Axisymmetric Afterbody allows for a range of flow behaviors to be studied on interchangeable afterbodies while facilitating access to higher Reynolds number facilities. A priori RANS computations are reported for a risk-reduction configuration to demonstrate critical variation among turbulence model results for a given afterbody, ranging from barely-attached to mild separated flow. The effects of body nose geometry and tunnel-wall boundary condition on the computed afterbody flow are explored to inform the design of an experimental test program.

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.

Aspects of GPU perfomance in algorithms with random memory access

NASA Astrophysics Data System (ADS)

Kashkovsky, Alexander V.; Shershnev, Anton A.; Vashchenkov, Pavel V.

2017-10-01

The numerical code for solving the Boltzmann equation on the hybrid computational cluster using the Direct Simulation Monte Carlo (DSMC) method showed that on Tesla K40 accelerators computational performance drops dramatically with increase of percentage of occupied GPU memory. Testing revealed that memory access time increases tens of times after certain critical percentage of memory is occupied. Moreover, it seems to be the common problem of all NVidia's GPUs arising from its architecture. Few modifications of the numerical algorithm were suggested to overcome this problem. One of them, based on the splitting the memory into "virtual" blocks, resulted in 2.5 times speed up.

Switch of Sensitivity Dynamics Revealed with DyGloSA Toolbox for Dynamical Global Sensitivity Analysis as an Early Warning for System's Critical Transition

PubMed Central

Baumuratova, Tatiana; Dobre, Simona; Bastogne, Thierry; Sauter, Thomas

2013-01-01

Systems with bifurcations may experience abrupt irreversible and often unwanted shifts in their performance, called critical transitions. For many systems like climate, economy, ecosystems it is highly desirable to identify indicators serving as early warnings of such regime shifts. Several statistical measures were recently proposed as early warnings of critical transitions including increased variance, autocorrelation and skewness of experimental or model-generated data. The lack of automatized tool for model-based prediction of critical transitions led to designing DyGloSA – a MATLAB toolbox for dynamical global parameter sensitivity analysis (GPSA) of ordinary differential equations models. We suggest that the switch in dynamics of parameter sensitivities revealed by our toolbox is an early warning that a system is approaching a critical transition. We illustrate the efficiency of our toolbox by analyzing several models with bifurcations and predicting the time periods when systems can still avoid going to a critical transition by manipulating certain parameter values, which is not detectable with the existing SA techniques. DyGloSA is based on the SBToolbox2 and contains functions, which compute dynamically the global sensitivity indices of the system by applying four main GPSA methods: eFAST, Sobol's ANOVA, PRCC and WALS. It includes parallelized versions of the functions enabling significant reduction of the computational time (up to 12 times). DyGloSA is freely available as a set of MATLAB scripts at http://bio.uni.lu/systems_biology/software/dyglosa. It requires installation of MATLAB (versions R2008b or later) and the Systems Biology Toolbox2 available at www.sbtoolbox2.org. DyGloSA can be run on Windows and Linux systems, -32 and -64 bits. PMID:24367574

Switch of sensitivity dynamics revealed with DyGloSA toolbox for dynamical global sensitivity analysis as an early warning for system's critical transition.

PubMed

Baumuratova, Tatiana; Dobre, Simona; Bastogne, Thierry; Sauter, Thomas

2013-01-01

Systems with bifurcations may experience abrupt irreversible and often unwanted shifts in their performance, called critical transitions. For many systems like climate, economy, ecosystems it is highly desirable to identify indicators serving as early warnings of such regime shifts. Several statistical measures were recently proposed as early warnings of critical transitions including increased variance, autocorrelation and skewness of experimental or model-generated data. The lack of automatized tool for model-based prediction of critical transitions led to designing DyGloSA - a MATLAB toolbox for dynamical global parameter sensitivity analysis (GPSA) of ordinary differential equations models. We suggest that the switch in dynamics of parameter sensitivities revealed by our toolbox is an early warning that a system is approaching a critical transition. We illustrate the efficiency of our toolbox by analyzing several models with bifurcations and predicting the time periods when systems can still avoid going to a critical transition by manipulating certain parameter values, which is not detectable with the existing SA techniques. DyGloSA is based on the SBToolbox2 and contains functions, which compute dynamically the global sensitivity indices of the system by applying four main GPSA methods: eFAST, Sobol's ANOVA, PRCC and WALS. It includes parallelized versions of the functions enabling significant reduction of the computational time (up to 12 times). DyGloSA is freely available as a set of MATLAB scripts at http://bio.uni.lu/systems_biology/software/dyglosa. It requires installation of MATLAB (versions R2008b or later) and the Systems Biology Toolbox2 available at www.sbtoolbox2.org. DyGloSA can be run on Windows and Linux systems, -32 and -64 bits.

Steady-state and dynamic models for particle engulfment during solidification

NASA Astrophysics Data System (ADS)

Tao, Yutao; Yeckel, Andrew; Derby, Jeffrey J.

2016-06-01

Steady-state and dynamic models are developed to study the physical mechanisms that determine the pushing or engulfment of a solid particle at a moving solid-liquid interface. The mathematical model formulation rigorously accounts for energy and momentum conservation, while faithfully representing the interfacial phenomena affecting solidification phase change and particle motion. A numerical solution approach is developed using the Galerkin finite element method and elliptic mesh generation in an arbitrary Lagrangian-Eulerian implementation, thus allowing for a rigorous representation of forces and dynamics previously inaccessible by approaches using analytical approximations. We demonstrate that this model accurately computes the solidification interface shape while simultaneously resolving thin fluid layers around the particle that arise from premelting during particle engulfment. We reinterpret the significance of premelting via the definition an unambiguous critical velocity for engulfment from steady-state analysis and bifurcation theory. We also explore the complicated transient behaviors that underlie the steady states of this system and posit the significance of dynamical behavior on engulfment events for many systems. We critically examine the onset of engulfment by comparing our computational predictions to those obtained using the analytical model of Rempel and Worster [29]. We assert that, while the accurate calculation of van der Waals repulsive forces remains an open issue, the computational model developed here provides a clear benefit over prior models for computing particle drag forces and other phenomena needed for the faithful simulation of particle engulfment.

Validation of light water reactor calculation methods and JEF-1-based data libraries by TRX and BAPL critical experiments

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

Paratte, J.M.; Pelloni, S.; Grimm, P.

1991-04-01

This paper analyzes the capability of various code systems and JEF-1-based nuclear data libraries to compute light water reactor lattices by comparing calculations with results from thermal reactor benchmark experiments TRX and BAPL and with previously published values. With the JEF-1 evaluation, eigenvalues are generally well predicted within 8 mk (1 mk = 0.001) or less by all code systems, and all methods give reasonable results for the measured reaction rate ratios within, or not too far from, the experimental uncertainty.

Application of Advanced Nondestructive Evaluation Techniques for Cylindrical Composite Test Samples

NASA Technical Reports Server (NTRS)

Martin, Richard E.; Roth, Donald J.; Salem, Jonathan A.

2013-01-01

Two nondestructive methods were applied to composite cylinder samples pressurized to failure in order to determine manufacturing quality and monitor damage progression under load. A unique computed tomography (CT) image processing methodology developed at NASA Glenn Research was used to assess the condition of the as-received samples while acoustic emission (AE) monitoring was used to identify both the extent and location of damage within the samples up to failure. Results show the effectiveness of both of these methods in identifying potentially critical fabrication issues and their resulting impact on performance.

A mean field approach to the Ising chain in a transverse magnetic field

NASA Astrophysics Data System (ADS)

Osácar, C.; Pacheco, A. F.

2017-07-01

We evaluate a mean field method to describe the properties of the ground state of the Ising chain in a transverse magnetic field. Specifically, a method of the Bethe-Peierls type is used by solving spin blocks with a self-consistency condition at the borders. The computations include the critical point for the phase transition, exponent of magnetisation and energy density. All results are obtained using basic quantum mechanics at an undergraduate level. The advantages and the limitations of the approach are emphasised.

Effective-field renormalization-group method for Ising systems

NASA Astrophysics Data System (ADS)

Fittipaldi, I. P.; De Albuquerque, D. F.

1992-02-01

A new applicable effective-field renormalization-group (ERFG) scheme for computing critical properties of Ising spins systems is proposed and used to study the phase diagrams of a quenched bond-mixed spin Ising model on square and Kagomé lattices. The present EFRG approach yields results which improves substantially on those obtained from standard mean-field renormalization-group (MFRG) method. In particular, it is shown that the EFRG scheme correctly distinguishes the geometry of the lattice structure even when working with the smallest possible clusters, namely N'=1 and N=2.

Atomization and Mixing Study

NASA Technical Reports Server (NTRS)

Ferrenberg, A.; Hunt, K.; Duesberg, J.

1985-01-01

The primary objective was the obtainment of atomization and mixing performance data for a variety of typical liquid oxygen/hydrocarbon injector element designs. Such data are required to establish injector design criteria and to provide critical inputs to liquid rocket engine combustor performance and stability analysis, and computational codes and methods. Deficiencies and problems with the atomization test equipment were identified, and action initiated to resolve them. Test results of the gas/liquid mixing tests indicated that an assessment of test methods was required. A series of 71 liquid/liquid tests were performed.

Proceedings of the ARO Workshop on Analytical and Computational Issues in Logistics R & D Held at George Washington University, Washington, DC on 7-9 May 1984. Volume 2

DTIC Science & Technology

1984-12-01

with more gene - ral arrival process or service-time distribution, with attention restricted to critical-number policies, have been studied by Adler...points of their respective intervals. This method proved quite satisfactory for df’s that possess no sharp peaks or severe skewness. The method is...then (animal is carnivore))) (rule id6 (if (animal has pointed teeth ) (animal has claws) (animal has forward eyes)) (then (animal is carnivore

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.

MAX - An advanced parallel computer for space applications

NASA Technical Reports Server (NTRS)

Lewis, Blair F.; Bunker, Robert L.

1991-01-01

MAX is a fault-tolerant multicomputer hardware and software architecture designed to meet the needs of NASA spacecraft systems. It consists of conventional computing modules (computers) connected via a dual network topology. One network is used to transfer data among the computers and between computers and I/O devices. This network's topology is arbitrary. The second network operates as a broadcast medium for operating system synchronization messages and supports the operating system's Byzantine resilience. A fully distributed operating system supports multitasking in an asynchronous event and data driven environment. A large grain dataflow paradigm is used to coordinate the multitasking and provide easy control of concurrency. It is the basis of the system's fault tolerance and allows both static and dynamical location of tasks. Redundant execution of tasks with software voting of results may be specified for critical tasks. The dataflow paradigm also supports simplified software design, test and maintenance. A unique feature is a method for reliably patching code in an executing dataflow application.

Technical Considerations on Scanning and Image Analysis for Amyloid PET in Dementia.

PubMed

Akamatsu, Go; Ohnishi, Akihito; Aita, Kazuki; Ikari, Yasuhiko; Yamamoto, Yasuji; Senda, Michio

2017-01-01

Brain imaging techniques, such as computed tomography (CT), magnetic resonance imaging (MRI), single photon emission computed tomography (SPECT), and positron emission tomography (PET), can provide essential and objective information for the early and differential diagnosis of dementia. Amyloid PET is especially useful to evaluate the amyloid-β pathological process as a biomarker of Alzheimer's disease. This article reviews critical points about technical considerations on the scanning and image analysis methods for amyloid PET. Each amyloid PET agent has its own proper administration instructions and recommended uptake time, scan duration, and the method of image display and interpretation. In addition, we have introduced general scanning information, including subject positioning, reconstruction parameters, and quantitative and statistical image analysis. We believe that this article could make amyloid PET a more reliable tool in clinical study and practice.

Challenges and Opportunities for Extracting Cardiovascular Risk Biomarkers from Imaging Data

NASA Astrophysics Data System (ADS)

Kakadiaris, I. A.; Mendizabal-Ruiz, E. G.; Kurkure, U.; Naghavi, M.

Complications attributed to cardiovascular diseases (CDV) are the leading cause of death worldwide. In the United States, sudden heart attack remains the number one cause of death and accounts for the majority of the 280 billion burden of cardiovascular diseases. In spite of the advancements in cardiovascular imaging techniques, the rate of deaths due to unpredicted heart attack remains high. Thus, novel computational tools are of critical need, in order to mine quantitative parameters from the imaging data for early detection of persons with a high likelihood of developing a heart attack in the near future (vulnerable patients). In this paper, we present our progress in the research of computational methods for the extraction of cardiovascular risk biomarkers from cardiovascular imaging data. In particular, we focus on the methods developed for the analysis of intravascular ultrasound (IVUS) data.

Curvilinear immersed-boundary method for simulating unsteady flows in shallow natural streams with arbitrarily complex obstacles

NASA Astrophysics Data System (ADS)

Kang, Seokkoo; Borazjani, Iman; Sotiropoulos, Fotis

2008-11-01

Unsteady 3D simulations of flows in natural streams is a challenging task due to the complexity of the bathymetry, the shallowness of the flow, and the presence of multiple nature- and man-made obstacles. This work is motivated by the need to develop a powerful numerical method for simulating such flows using coherent-structure-resolving turbulence models. We employ the curvilinear immersed boundary method of Ge and Sotiropoulos (Journal of Computational Physics, 2007) and address the critical issue of numerical efficiency in large aspect ratio computational domains and grids such as those encountered in long and shallow open channels. We show that the matrix-free Newton-Krylov method for solving the momentum equations coupled with an algebraic multigrid method with incomplete LU preconditioner for solving the Poisson equation yield a robust and efficient procedure for obtaining time-accurate solutions in such problems. We demonstrate the potential of the numerical approach by carrying out a direct numerical simulation of flow in a long and shallow meandering stream with multiple hydraulic structures.

Modeling and reduction with applications to semiconductor processing

NASA Astrophysics Data System (ADS)

Newman, Andrew Joseph

This thesis consists of several somewhat distinct but connected parts, with an underlying motivation in problems pertaining to control and optimization of semiconductor processing. The first part (Chapters 3 and 4) addresses problems in model reduction for nonlinear state-space control systems. In 1993, Scherpen generalized the balanced truncation method to the nonlinear setting. However, the Scherpen procedure is not easily computable and has not yet been applied in practice. We offer a method for computing a working approximation to the controllability energy function, one of the main objects involved in the method. Moreover, we show that for a class of second-order mechanical systems with dissipation, under certain conditions related to the dissipation, an exact formula for the controllability function can be derived. We then present an algorithm for a numerical implementation of the Morse-Palais lemma, which produces a local coordinate transformation under which a real-valued function with a non-degenerate critical point is quadratic on a neighborhood of the critical point. Application of the algorithm to the controllabilty function plays a key role in computing the balanced representation. We then apply our methods and algorithms to derive balanced realizations for nonlinear state-space models of two example mechanical systems: a simple pendulum and a double pendulum. The second part (Chapter 5) deals with modeling of rapid thermal chemical vapor deposition (RTCVD) for growth of silicon thin films, via first-principles and empirical analysis. We develop detailed process-equipment models and study the factors that influence deposition uniformity, such as temperature, pressure, and precursor gas flow rates, through analysis of experimental and simulation results. We demonstrate that temperature uniformity does not guarantee deposition thickness uniformity in a particular commercial RTCVD reactor of interest. In the third part (Chapter 6) we continue the modeling effort, specializing to a control system for RTCVD heat transfer. We then develop and apply ad-hoc versions of prominent model reduction approaches to derive reduced models and perform a comparative study.

Comments and Criticism: Comment on "Identification of Student Misconceptions in Genetics Problem Solving via Computer Program."

ERIC Educational Resources Information Center

Smith, Mike U.

1991-01-01

Criticizes an article by Browning and Lehman (1988) for (1) using "gene" instead of allele, (2) misusing the word "misconception," and (3) the possible influences of the computer environment on the results of the study. (PR)

Needs assessment for next generation computer-aided mammography reference image databases and evaluation studies.

PubMed

Horsch, Alexander; Hapfelmeier, Alexander; Elter, Matthias

2011-11-01

Breast cancer is globally a major threat for women's health. Screening and adequate follow-up can significantly reduce the mortality from breast cancer. Human second reading of screening mammograms can increase breast cancer detection rates, whereas this has not been proven for current computer-aided detection systems as "second reader". Critical factors include the detection accuracy of the systems and the screening experience and training of the radiologist with the system. When assessing the performance of systems and system components, the choice of evaluation methods is particularly critical. Core assets herein are reference image databases and statistical methods. We have analyzed characteristics and usage of the currently largest publicly available mammography database, the Digital Database for Screening Mammography (DDSM) from the University of South Florida, in literature indexed in Medline, IEEE Xplore, SpringerLink, and SPIE, with respect to type of computer-aided diagnosis (CAD) (detection, CADe, or diagnostics, CADx), selection of database subsets, choice of evaluation method, and quality of descriptions. 59 publications presenting 106 evaluation studies met our selection criteria. In 54 studies (50.9%), the selection of test items (cases, images, regions of interest) extracted from the DDSM was not reproducible. Only 2 CADx studies, not any CADe studies, used the entire DDSM. The number of test items varies from 100 to 6000. Different statistical evaluation methods are chosen. Most common are train/test (34.9% of the studies), leave-one-out (23.6%), and N-fold cross-validation (18.9%). Database-related terminology tends to be imprecise or ambiguous, especially regarding the term "case". Overall, both the use of the DDSM as data source for evaluation of mammography CAD systems, and the application of statistical evaluation methods were found highly diverse. Results reported from different studies are therefore hardly comparable. Drawbacks of the DDSM (e.g. varying quality of lesion annotations) may contribute to the reasons. But larger bias seems to be caused by authors' own decisions upon study design. RECOMMENDATIONS/CONCLUSION: For future evaluation studies, we derive a set of 13 recommendations concerning the construction and usage of a test database, as well as the application of statistical evaluation methods.

Comparison of adaptive critic-based and classical wide-area controllers for power systems.

PubMed

Ray, Swakshar; Venayagamoorthy, Ganesh Kumar; Chaudhuri, Balarko; Majumder, Rajat

2008-08-01

An adaptive critic design (ACD)-based damping controller is developed for a thyristor-controlled series capacitor (TCSC) installed in a power system with multiple poorly damped interarea modes. The performance of this ACD computational intelligence-based method is compared with two classical techniques, which are observer-based state-feedback (SF) control and linear matrix inequality LMI-H(infinity) robust control. Remote measurements are used as feedback signals to the wide-area damping controller for modulating the compensation of the TCSC. The classical methods use a linearized model of the system whereas the ACD method is purely measurement-based, leading to a nonlinear controller with fixed parameters. A comparative analysis of the controllers' performances is carried out under different disturbance scenarios. The ACD-based design has shown promising performance with very little knowledge of the system compared to classical model-based controllers. This paper also discusses the advantages and disadvantages of ACDs, SF, and LMI-H(infinity).

Response of general practitioners to computer-generated critiques of hypertension therapy.

PubMed

van der Lei, J; van der Does, E; Man in 't Veld, A J; Musen, M A; van Bemmel, J H

1993-04-01

We recently have shown that a computer system, known as HyperCritic, can successfully audit general practitioners' treatment of hypertension by analyzing computer-based patient records. HyperCritic reviews the electronic medical records and offers unsolicited advice. To determine which unsolicited advice might be perceived as inappropriate, builders of programs such as HyperCritic need insight into providers' responses to computer-generated critique of their patient care. Twenty medical charts, describing in total 243 visits of patients with hypertension, were audited by 8 human reviewers and by the critiquing-system HyperCritic. A panel of 14 general practitioners subsequently judged the relevance of those critiques on a five-point scale ranging from relevant critique to erroneous or harmful critique. The panel judged reviewers' comments to be either relevant or somewhat relevant in 61 to 68% of cases, and either erroneous or possibly erroneous in 15 to 18%; the panel judged HyperCritic's comments to be either relevant or somewhat relevant in 65% of cases, and either erroneous or possibly erroneous in 16%. Comparison of individual members of the panel showed large differences; for example, the portion of HyperCritic's comments judged relevant ranged from 0 to 82%. We conclude that, from the perspective of general practitioners, critiques generated by the critiquing system HyperCritic are perceived equally beneficial as critiques generated by human reviewers. Different general practitioners, however, judge the critiques differently. Before auditing systems based on computer-based patient records that are acceptable to practitioners can be introduced, additional studies are needed to evaluate the reasons a physician may have for judging critiques to be irrelevant, and to evaluate the effect of critiques on physician behavior.

Overview of Risk Mitigation for Safety-Critical Computer-Based Systems

NASA Technical Reports Server (NTRS)

Torres-Pomales, Wilfredo

2015-01-01

This report presents a high-level overview of a general strategy to mitigate the risks from threats to safety-critical computer-based systems. In this context, a safety threat is a process or phenomenon that can cause operational safety hazards in the form of computational system failures. This report is intended to provide insight into the safety-risk mitigation problem and the characteristics of potential solutions. The limitations of the general risk mitigation strategy are discussed and some options to overcome these limitations are provided. This work is part of an ongoing effort to enable well-founded assurance of safety-related properties of complex safety-critical computer-based aircraft systems by developing an effective capability to model and reason about the safety implications of system requirements and design.

Evaluation and assessment of the online postgraduate critical care nursing course.

PubMed

Patel, Reena

2007-01-01

During challenging times facing the health service, strategies for sustaining further education for nurses in highly specialised areas call for alternate means for learning. Nurses, who were accustomed to traditional methods of learning and had no formal computer training as part of their curriculum, are now being confronted with new methods of learning. Evaluation of the effectiveness of a newly developed postgraduate critical care course delivered online for nurses was examined. A pre test and post test of 16 participants were conducted. Participants found coursework intellectually stimulating and their preference to learn from websites demonstrated the effect size (tau-b=.677) to be significant at the 0.01 level. The pre and post test results from the knowledge assessment tool indicated an advancement of mean test scores and at a significant difference value of p=.055. Ninety four percent of the participants agreed that they were able to integrate their learning from the coursework towards their clinical practice. Improvement in nurses critical care knowledge impacts positively on delivery of safe and effective health care.

Elastic critical moment for bisymmetric steel profiles and its sensitivity by the finite difference method

NASA Astrophysics Data System (ADS)

Kamiński, M.; Supeł, Ł.

2016-02-01

It is widely known that lateral-torsional buckling of a member under bending and warping restraints of its cross-sections in the steel structures are crucial for estimation of their safety and durability. Although engineering codes for steel and aluminum structures support the designer with the additional analytical expressions depending even on the boundary conditions and internal forces diagrams, one may apply alternatively the traditional Finite Element or Finite Difference Methods (FEM, FDM) to determine the so-called critical moment representing this phenomenon. The principal purpose of this work is to compare three different ways of determination of critical moment, also in the context of structural sensitivity analysis with respect to the structural element length. Sensitivity gradients are determined by the use of both analytical and the central finite difference scheme here and contrasted also for analytical, FEM as well as FDM approaches. Computational study is provided for the entire family of the steel I- and H - beams available for the practitioners in this area, and is a basis for further stochastic reliability analysis as well as durability prediction including possible corrosion progress.

Anomaly-based intrusion detection for SCADA systems

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

Yang, D.; Usynin, A.; Hines, J. W.

2006-07-01

Most critical infrastructure such as chemical processing plants, electrical generation and distribution networks, and gas distribution is monitored and controlled by Supervisory Control and Data Acquisition Systems (SCADA. These systems have been the focus of increased security and there are concerns that they could be the target of international terrorists. With the constantly growing number of internet related computer attacks, there is evidence that our critical infrastructure may also be vulnerable. Researchers estimate that malicious online actions may cause $75 billion at 2007. One of the interesting countermeasures for enhancing information system security is called intrusion detection. This paper willmore » briefly discuss the history of research in intrusion detection techniques and introduce the two basic detection approaches: signature detection and anomaly detection. Finally, it presents the application of techniques developed for monitoring critical process systems, such as nuclear power plants, to anomaly intrusion detection. The method uses an auto-associative kernel regression (AAKR) model coupled with the statistical probability ratio test (SPRT) and applied to a simulated SCADA system. The results show that these methods can be generally used to detect a variety of common attacks. (authors)« less

Semiautomatic tumor segmentation with multimodal images in a conditional random field framework.

PubMed

Hu, Yu-Chi; Grossberg, Michael; Mageras, Gikas

2016-04-01

Volumetric medical images of a single subject can be acquired using different imaging modalities, such as computed tomography, magnetic resonance imaging (MRI), and positron emission tomography. In this work, we present a semiautomatic segmentation algorithm that can leverage the synergies between different image modalities while integrating interactive human guidance. The algorithm provides a statistical segmentation framework partly automating the segmentation task while still maintaining critical human oversight. The statistical models presented are trained interactively using simple brush strokes to indicate tumor and nontumor tissues and using intermediate results within a patient's image study. To accomplish the segmentation, we construct the energy function in the conditional random field (CRF) framework. For each slice, the energy function is set using the estimated probabilities from both user brush stroke data and prior approved segmented slices within a patient study. The progressive segmentation is obtained using a graph-cut-based minimization. Although no similar semiautomated algorithm is currently available, we evaluated our method with an MRI data set from Medical Image Computing and Computer Assisted Intervention Society multimodal brain segmentation challenge (BRATS 2012 and 2013) against a similar fully automatic method based on CRF and a semiautomatic method based on grow-cut, and our method shows superior performance.

Coupled molecular dynamics and continuum electrostatic method to compute the ionization pKa's of proteins as a function of pH. Test on a large set of proteins.

PubMed

Vorobjev, Yury N; Scheraga, Harold A; Vila, Jorge A

2018-02-01

A computational method, to predict the pKa values of the ionizable residues Asp, Glu, His, Tyr, and Lys of proteins, is presented here. Calculation of the electrostatic free-energy of the proteins is based on an efficient version of a continuum dielectric electrostatic model. The conformational flexibility of the protein is taken into account by carrying out molecular dynamics simulations of 10 ns in implicit water. The accuracy of the proposed method of calculation of pKa values is estimated from a test set of experimental pKa data for 297 ionizable residues from 34 proteins. The pKa-prediction test shows that, on average, 57, 86, and 95% of all predictions have an error lower than 0.5, 1.0, and 1.5 pKa units, respectively. This work contributes to our general understanding of the importance of protein flexibility for an accurate computation of pKa, providing critical insight about the significance of the multiple neutral states of acid and histidine residues for pKa-prediction, and may spur significant progress in our effort to develop a fast and accurate electrostatic-based method for pKa-predictions of proteins as a function of pH.

A parallel finite element procedure for contact-impact problems using edge-based smooth triangular element and GPU

NASA Astrophysics Data System (ADS)

Cai, Yong; Cui, Xiangyang; Li, Guangyao; Liu, Wenyang

2018-04-01

The edge-smooth finite element method (ES-FEM) can improve the computational accuracy of triangular shell elements and the mesh partition efficiency of complex models. In this paper, an approach is developed to perform explicit finite element simulations of contact-impact problems with a graphical processing unit (GPU) using a special edge-smooth triangular shell element based on ES-FEM. Of critical importance for this problem is achieving finer-grained parallelism to enable efficient data loading and to minimize communication between the device and host. Four kinds of parallel strategies are then developed to efficiently solve these ES-FEM based shell element formulas, and various optimization methods are adopted to ensure aligned memory access. Special focus is dedicated to developing an approach for the parallel construction of edge systems. A parallel hierarchy-territory contact-searching algorithm (HITA) and a parallel penalty function calculation method are embedded in this parallel explicit algorithm. Finally, the program flow is well designed, and a GPU-based simulation system is developed, using Nvidia's CUDA. Several numerical examples are presented to illustrate the high quality of the results obtained with the proposed methods. In addition, the GPU-based parallel computation is shown to significantly reduce the computing time.

A hybrid FDTD-Rayleigh integral computational method for the simulation of the ultrasound measurement of proximal femur.

PubMed

Cassereau, Didier; Nauleau, Pierre; Bendjoudi, Aniss; Minonzio, Jean-Gabriel; Laugier, Pascal; Bossy, Emmanuel; Grimal, Quentin

2014-07-01

The development of novel quantitative ultrasound (QUS) techniques to measure the hip is critically dependent on the possibility to simulate the ultrasound propagation. One specificity of hip QUS is that ultrasounds propagate through a large thickness of soft tissue, which can be modeled by a homogeneous fluid in a first approach. Finite difference time domain (FDTD) algorithms have been widely used to simulate QUS measurements but they are not adapted to simulate ultrasonic propagation over long distances in homogeneous media. In this paper, an hybrid numerical method is presented to simulate hip QUS measurements. A two-dimensional FDTD simulation in the vicinity of the bone is coupled to the semi-analytic calculation of the Rayleigh integral to compute the wave propagation between the probe and the bone. The method is used to simulate a setup dedicated to the measurement of circumferential guided waves in the cortical compartment of the femoral neck. The proposed approach is validated by comparison with a full FDTD simulation and with an experiment on a bone phantom. For a realistic QUS configuration, the computation time is estimated to be sixty times less with the hybrid method than with a full FDTD approach. Copyright © 2013 Elsevier B.V. All rights reserved.

Prediction of physical protein protein interactions

NASA Astrophysics Data System (ADS)

Szilágyi, András; Grimm, Vera; Arakaki, Adrián K.; Skolnick, Jeffrey

2005-06-01

Many essential cellular processes such as signal transduction, transport, cellular motion and most regulatory mechanisms are mediated by protein-protein interactions. In recent years, new experimental techniques have been developed to discover the protein-protein interaction networks of several organisms. However, the accuracy and coverage of these techniques have proven to be limited, and computational approaches remain essential both to assist in the design and validation of experimental studies and for the prediction of interaction partners and detailed structures of protein complexes. Here, we provide a critical overview of existing structure-independent and structure-based computational methods. Although these techniques have significantly advanced in the past few years, we find that most of them are still in their infancy. We also provide an overview of experimental techniques for the detection of protein-protein interactions. Although the developments are promising, false positive and false negative results are common, and reliable detection is possible only by taking a consensus of different experimental approaches. The shortcomings of experimental techniques affect both the further development and the fair evaluation of computational prediction methods. For an adequate comparative evaluation of prediction and high-throughput experimental methods, an appropriately large benchmark set of biophysically characterized protein complexes would be needed, but is sorely lacking.

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

Conceptual design of a Bitter-magnet toroidal-field system for the ZEPHYR Ignition Test Reactor

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

Williams, J.E.C.; Becker, H.D.; Bobrov, E.S.

1981-05-01

The following problems are described and discussed: (1) parametric studies - these studies examine among other things the interdependence of throat stresses, plasma parameters (margins of ignition) and stored energy. The latter is a measure of cost and is minimized in the present design; (2) magnet configuration - the shape of the plates are considered in detail including standard turns, turns located at beam ports, diagnostic and closure flanges; (3) ripple computation - this section describes the codes by which ripple is computed; (4) field diffusion and nuclear heating - the effect of magnetic field diffusion on heating is consideredmore » along with neutron heating. Current, field and temperature profiles are computed; (5) finite element analysis - the two and three dimensional finite element codes are described and the results discussed in detail; (6) structures engineering - this considers the calculation of critical stresses due to toroidal and overturning forces and discusses the method of constraint of these forces. The Materials Testing Program is also discussed; (7) fabrication - the methods available for the manufacture of the constituent parts of the Bitter plates, the method of assembly and remote maintenance are summarized.« less

Where and when should sensors move? Sampling using the expected value of information.

PubMed

de Bruin, Sytze; Ballari, Daniela; Bregt, Arnold K

2012-11-26

In case of an environmental accident, initially available data are often insufficient for properly managing the situation. In this paper, new sensor observations are iteratively added to an initial sample by maximising the global expected value of information of the points for decision making. This is equivalent to minimizing the aggregated expected misclassification costs over the study area. The method considers measurement error and different costs for class omissions and false class commissions. Constraints imposed by a mobile sensor web are accounted for using cost distances to decide which sensor should move to the next sample location. The method is demonstrated using synthetic examples of static and dynamic phenomena. This allowed computation of the true misclassification costs and comparison with other sampling approaches. The probability of local contamination levels being above a given critical threshold were computed by indicator kriging. In the case of multiple sensors being relocated simultaneously, a genetic algorithm was used to find sets of suitable new measurement locations. Otherwise, all grid nodes were searched exhaustively, which is computationally demanding. In terms of true misclassification costs, the method outperformed random sampling and sampling based on minimisation of the kriging variance.

Where and When Should Sensors Move? Sampling Using the Expected Value of Information

PubMed Central

de Bruin, Sytze; Ballari, Daniela; Bregt, Arnold K.

2012-01-01

In case of an environmental accident, initially available data are often insufficient for properly managing the situation. In this paper, new sensor observations are iteratively added to an initial sample by maximising the global expected value of information of the points for decision making. This is equivalent to minimizing the aggregated expected misclassification costs over the study area. The method considers measurement error and different costs for class omissions and false class commissions. Constraints imposed by a mobile sensor web are accounted for using cost distances to decide which sensor should move to the next sample location. The method is demonstrated using synthetic examples of static and dynamic phenomena. This allowed computation of the true misclassification costs and comparison with other sampling approaches. The probability of local contamination levels being above a given critical threshold were computed by indicator kriging. In the case of multiple sensors being relocated simultaneously, a genetic algorithm was used to find sets of suitable new measurement locations. Otherwise, all grid nodes were searched exhaustively, which is computationally demanding. In terms of true misclassification costs, the method outperformed random sampling and sampling based on minimisation of the kriging variance. PMID:23443379

Graph edit distance from spectral seriation.

PubMed

Robles-Kelly, Antonio; Hancock, Edwin R

2005-03-01

This paper is concerned with computing graph edit distance. One of the criticisms that can be leveled at existing methods for computing graph edit distance is that they lack some of the formality and rigor of the computation of string edit distance. Hence, our aim is to convert graphs to string sequences so that string matching techniques can be used. To do this, we use a graph spectral seriation method to convert the adjacency matrix into a string or sequence order. We show how the serial ordering can be established using the leading eigenvector of the graph adjacency matrix. We pose the problem of graph-matching as a maximum a posteriori probability (MAP) alignment of the seriation sequences for pairs of graphs. This treatment leads to an expression in which the edit cost is the negative logarithm of the a posteriori sequence alignment probability. We compute the edit distance by finding the sequence of string edit operations which minimizes the cost of the path traversing the edit lattice. The edit costs are determined by the components of the leading eigenvectors of the adjacency matrix and by the edge densities of the graphs being matched. We demonstrate the utility of the edit distance on a number of graph clustering problems.

Automatic Organ Localization for Adaptive Radiation Therapy for Prostate Cancer

DTIC Science & Technology

2005-05-01

and provides a framework for task 3. Key Research Accomplishments "* Comparison of manual segmentation with our automatic method, using several...well as manual segmentations by a different rater. "* Computation of the actual cumulative dose delivered to both the cancerous and critical healthy...adaptive treatment of prostate or other cancer. As a result, all such work must be done manually . However, manual segmentation of the tumor and neighboring

Nanoparticle Contrast Agents for Enhanced Microwave Imaging and Thermal Treatment of Breast Cancer

DTIC Science & Technology

2010-10-01

continue to increase in step with de - creasing critical dimensions, electrodynamic effects directly influence high-frequency device performance, and...computational burden is significant. The Cellular Monte Carlo (CMC) method, originally de - veloped by Kometer et al. [50], was designed to reduce this...combination of a full-wave FDTD solver with a de - vice simulator based upon a stochastic transport kernel is conceptually straightforward, but the

Assessing Critical Thinking Outcomes of Dental Hygiene Students Utilizing Virtual Patient Simulation: A Mixed Methods Study.

PubMed

Allaire, Joanna L

2015-09-01

Dental hygiene educators must determine which educational practices best promote critical thinking, a quality necessary to translate knowledge into sound clinical decision making. The aim of this small pilot study was to determine whether virtual patient simulation had an effect on the critical thinking of dental hygiene students. A pretest-posttest design using the Health Science Reasoning Test was used to evaluate the critical thinking skills of senior dental hygiene students at The University of Texas School of Dentistry at Houston Dental Hygiene Program before and after their experience with computer-based patient simulation cases. Additional survey questions sought to identify the students' perceptions of whether the experience had helped develop their critical thinking skills and improved their ability to provide competent patient care. A convenience sample of 31 senior dental hygiene students completed both the pretest and posttest (81.5% of total students in that class); 30 senior dental hygiene students completed the survey on perceptions of the simulation (78.9% response rate). Although the results did not show a significant increase in mean scores, the students reported feeling that the use of virtual patients was an effective teaching method to promote critical thinking, problem-solving, and confidence in the clinical realm. The results of this pilot study may have implications to support the use of virtual patient simulations in dental hygiene education. Future research could include a larger controlled study to validate findings from this study.

Compressible or incompressible blend of interacting monodisperse star and linear polymers near a surface.

PubMed

Batman, Richard; Gujrati, P D

2008-03-28

We consider a lattice model of a mixture of repulsive, attractive, or neutral monodisperse star (species A) and linear (species B) polymers with a third monomeric species C, which may represent free volume. The mixture is next to a hard, infinite plate whose interactions with A and C can be attractive, repulsive, or neutral. These two interactions are the only parameters necessary to specify the effect of the surface on all three components. We numerically study monomer density profiles using the method of Gujrati and Chhajer that has already been previously applied to study polydisperse and monodisperse linear-linear blends next to surfaces. The resulting density profiles always show an enrichment of linear polymers in the immediate vicinity of the surface due to entropic repulsion of the star core. However, the integrated surface excess of star monomers is sometimes positive, indicating an overall enrichment of stars. This excess increases with the number of star arms only up to a certain critical number and decreases thereafter. The critical arm number increases with compressibility (bulk concentration of C). The method of Gujrati and Chhajer is computationally ultrafast and can be carried out on a personal computer (PC), even in the incompressible case, when simulations are unfeasible. Calculations of density profiles usually take less than 20 min on PCs.

Application of Wavelet-Based Methods for Accelerating Multi-Time-Scale Simulation of Bistable Heterogeneous Catalysis

DOE PAGES

Gur, Sourav; Frantziskonis, George N.; Univ. of Arizona, Tucson, AZ; ...

2017-02-16

Here, we report results from a numerical study of multi-time-scale bistable dynamics for CO oxidation on a catalytic surface in a flowing, well-mixed gas stream. The problem is posed in terms of surface and gas-phase submodels that dynamically interact in the presence of stochastic perturbations, reflecting the impact of molecular-scale fluctuations on the surface and turbulence in the gas. Wavelet-based methods are used to encode and characterize the temporal dynamics produced by each submodel and detect the onset of sudden state shifts (bifurcations) caused by nonlinear kinetics. When impending state shifts are detected, a more accurate but computationally expensive integrationmore » scheme can be used. This appears to make it possible, at least in some cases, to decrease the net computational burden associated with simulating multi-time-scale, nonlinear reacting systems by limiting the amount of time in which the more expensive integration schemes are required. Critical to achieving this is being able to detect unstable temporal transitions such as the bistable shifts in the example problem considered here. Lastly, our results indicate that a unique wavelet-based algorithm based on the Lipschitz exponent is capable of making such detections, even under noisy conditions, and may find applications in critical transition detection problems beyond catalysis.« less

Charts and Tables for Estimating the Stability of the Compressible Laminar Boundary Layer with Heat Transfer and Arbitrary Pressure Gradient

NASA Technical Reports Server (NTRS)

Tetervin, Neal

1959-01-01

The minimum critical Reynolds numbers for the similar solutions of the compressible laminar boundary layer computed by Cohen and Reshotko and also for the Falkner and Skan solutions as recomputed by Smith have been calculated by Lin's rapid approximate method for two-dimensional disturbances. These results enable the stability of the compressible laminar boundary layer with heat transfer and pressure gradient to be easily estimated after the behavior of the boundary layer has been computed by the approximate method of Cohen and Reshotko. The previously reported unusual result (NACA Technical Note 4037) that a highly cooled stagnation point flow is more unstable than a highly cooled flat-plate flow is again encountered. Moreover, this result is found to be part of the more general result that a favorable pressure gradient is destabilizing for very cool walls when the Mach number is less than that for complete stability. The minimum critical Reynolds numbers for these wall temperature ratios are, however, all larger than any value of the laminar-boundary-layer Reynolds number likely to be encountered. For Mach numbers greater than those for which complete stability occurs a favorable pressure gradient is stabilizing, even for very cool walls.

An evaluation of the individual components and accuracies associated with the determination of impervious area

USGS Publications Warehouse

Slonecker, E.T.; Tilley, J.S.

2004-01-01

The percentage of impervious surface area in a watershed has been widely recognized as a key indicator of terrestrial and aquatic ecosystem condition. Although the use of the impervious indicator is widespread, there is currently no consistent or mutually accepted method of computing impervious area and the approach of various commonly used techniques varies widely. Further, we do not have reliable information on the components of impervious surfaces, which would be critical in any future planning attempts to remediate problems associated with impervious surface coverage. In cooperation with the USGS Geographic Analysis and Monitoring Program (GAM) and The National Map, and the EPA Landscape Ecology Program, this collaborative research project utilized very high resolution imagery and GIS techniques to map and quantify the individual components of total impervious area in six urban/suburban watersheds in different parts of the United States. These data were served as ground reference, or "truth," for the evaluation for four techniques used to compute impervious area. The results show some important aspects about the component make-up of impervious cover and the variability of methods commonly used to compile this critical emerging indicator of ecosystem condition. ?? 2004 by V. H. Winston and Sons, Inc. All rights reserved.

Protein kinetic signatures of the remodeling heart following isoproterenol stimulation.

PubMed

Lam, Maggie P Y; Wang, Ding; Lau, Edward; Liem, David A; Kim, Allen K; Ng, Dominic C M; Liang, Xiangbo; Bleakley, Brian J; Liu, Chenguang; Tabaraki, Jason D; Cadeiras, Martin; Wang, Yibin; Deng, Mario C; Ping, Peipei

2014-04-01

Protein temporal dynamics play a critical role in time-dimensional pathophysiological processes, including the gradual cardiac remodeling that occurs in early-stage heart failure. Methods for quantitative assessments of protein kinetics are lacking, and despite knowledge gained from single-protein studies, integrative views of the coordinated behavior of multiple proteins in cardiac remodeling are scarce. Here, we developed a workflow that integrates deuterium oxide (2H2O) labeling, high-resolution mass spectrometry (MS), and custom computational methods to systematically interrogate in vivo protein turnover. Using this workflow, we characterized the in vivo turnover kinetics of 2,964 proteins in a mouse model of β-adrenergic-induced cardiac remodeling. The data provided a quantitative and longitudinal view of cardiac remodeling at the molecular level, revealing widespread kinetic regulations in calcium signaling, metabolism, proteostasis, and mitochondrial dynamics. We translated the workflow to human studies, creating a reference dataset of 496 plasma protein turnover rates from 4 healthy adults. The approach is applicable to short, minimal label enrichment and can be performed on as little as a single biopsy, thereby overcoming critical obstacles to clinical investigations. The protein turnover quantitation experiments and computational workflow described here should be widely applicable to large-scale biomolecular investigations of human disease mechanisms with a temporal perspective.

Protein kinetic signatures of the remodeling heart following isoproterenol stimulation

PubMed Central

Lam, Maggie P.Y.; Wang, Ding; Lau, Edward; Liem, David A.; Kim, Allen K.; Ng, Dominic C.M.; Liang, Xiangbo; Bleakley, Brian J.; Liu, Chenguang; Tabaraki, Jason D.; Cadeiras, Martin; Wang, Yibin; Deng, Mario C.; Ping, Peipei

2014-01-01

Protein temporal dynamics play a critical role in time-dimensional pathophysiological processes, including the gradual cardiac remodeling that occurs in early-stage heart failure. Methods for quantitative assessments of protein kinetics are lacking, and despite knowledge gained from single-protein studies, integrative views of the coordinated behavior of multiple proteins in cardiac remodeling are scarce. Here, we developed a workflow that integrates deuterium oxide (2H2O) labeling, high-resolution mass spectrometry (MS), and custom computational methods to systematically interrogate in vivo protein turnover. Using this workflow, we characterized the in vivo turnover kinetics of 2,964 proteins in a mouse model of β-adrenergic–induced cardiac remodeling. The data provided a quantitative and longitudinal view of cardiac remodeling at the molecular level, revealing widespread kinetic regulations in calcium signaling, metabolism, proteostasis, and mitochondrial dynamics. We translated the workflow to human studies, creating a reference dataset of 496 plasma protein turnover rates from 4 healthy adults. The approach is applicable to short, minimal label enrichment and can be performed on as little as a single biopsy, thereby overcoming critical obstacles to clinical investigations. The protein turnover quantitation experiments and computational workflow described here should be widely applicable to large-scale biomolecular investigations of human disease mechanisms with a temporal perspective. PMID:24614109

The Influence of Computer-Mediated Communication Systems on Community

ERIC Educational Resources Information Center

Rockinson-Szapkiw, Amanda J.

2012-01-01

As higher education institutions enter the intense competition of the rapidly growing global marketplace of online education, the leaders within these institutions are challenged to identify factors critical for developing and for maintaining effective online courses. Computer-mediated communication (CMC) systems are considered critical to…

Speech emotion recognition methods: A literature review

NASA Astrophysics Data System (ADS)

Basharirad, Babak; Moradhaseli, Mohammadreza

2017-10-01

Recently, attention of the emotional speech signals research has been boosted in human machine interfaces due to availability of high computation capability. There are many systems proposed in the literature to identify the emotional state through speech. Selection of suitable feature sets, design of a proper classifications methods and prepare an appropriate dataset are the main key issues of speech emotion recognition systems. This paper critically analyzed the current available approaches of speech emotion recognition methods based on the three evaluating parameters (feature set, classification of features, accurately usage). In addition, this paper also evaluates the performance and limitations of available methods. Furthermore, it highlights the current promising direction for improvement of speech emotion recognition systems.

A synchronization method for wireless acquisition systems, application to brain computer interfaces.

PubMed

Foerster, M; Bonnet, S; van Langhenhove, A; Porcherot, J; Charvet, G

2013-01-01

A synchronization method for wireless acquisition systems has been developed and implemented on a wireless ECoG recording implant and on a wireless EEG recording helmet. The presented algorithm and hardware implementation allow the precise synchronization of several data streams from several sensor nodes for applications where timing is critical like in event-related potential (ERP) studies. The proposed method has been successfully applied to obtain visual evoked potentials and compared with a reference biosignal amplifier. The control over the exact sampling frequency allows reducing synchronization errors that will otherwise accumulate during a recording. The method is scalable to several sensor nodes communicating with a shared base station.

Detecting stripe artifacts in ultrasound images.

PubMed

Maciak, Adam; Kier, Christian; Seidel, Günter; Meyer-Wiethe, Karsten; Hofmann, Ulrich G

2009-10-01

Brain perfusion diseases such as acute ischemic stroke are detectable through computed tomography (CT)-/magnetic resonance imaging (MRI)-based methods. An alternative approach makes use of ultrasound imaging. In this low-cost bedside method, noise and artifacts degrade the imaging process. Especially stripe artifacts show a similar signal behavior compared to acute stroke or brain perfusion diseases. This document describes how stripe artifacts can be detected and eliminated in ultrasound images obtained through harmonic imaging (HI). On the basis of this new method, both proper identification of areas with critically reduced brain tissue perfusion and classification between brain perfusion defects and ultrasound stripe artifacts are made possible.

Shear velocity criterion for incipient motion of sediment

USGS Publications Warehouse

Simoes, Francisco J.

2014-01-01

The prediction of incipient motion has had great importance to the theory of sediment transport. The most commonly used methods are based on the concept of critical shear stress and employ an approach similar, or identical, to the Shields diagram. An alternative method that uses the movability number, defined as the ratio of the shear velocity to the particle’s settling velocity, was employed in this study. A large amount of experimental data were used to develop an empirical incipient motion criterion based on the movability number. It is shown that this approach can provide a simple and accurate method of computing the threshold condition for sediment motion.

Ultrasonic Phased Array Inspection Experiments and Simulations for AN Isogrid Structural Element with Cracks

NASA Astrophysics Data System (ADS)

Roth, D. J.; Tokars, R. P.; Martin, R. E.; Rauser, R. W.; Aldrin, J. C.; Schumacher, E. J.

2010-02-01

In this investigation, a T-shaped aluminum alloy isogrid stiffener element used in aerospace applications was inspected with ultrasonic phased array methods. The isogrid stiffener element had various crack configurations emanating from bolt holes. Computational simulation methods were used to mimic the experiments in order to help understand experimental results. The results of this study indicate that it is at least partly feasible to interrogate this type of geometry with the given flaw configurations using phased array ultrasonics. The simulation methods were critical in helping explain the experimental results and, with some limitation, can be used to predict inspection results.

Connectivity inference from neural recording data: Challenges, mathematical bases and research directions.

PubMed

Magrans de Abril, Ildefons; Yoshimoto, Junichiro; Doya, Kenji

2018-06-01

This article presents a review of computational methods for connectivity inference from neural activity data derived from multi-electrode recordings or fluorescence imaging. We first identify biophysical and technical challenges in connectivity inference along the data processing pipeline. We then review connectivity inference methods based on two major mathematical foundations, namely, descriptive model-free approaches and generative model-based approaches. We investigate representative studies in both categories and clarify which challenges have been addressed by which method. We further identify critical open issues and possible research directions. Copyright © 2018 The Author(s). Published by Elsevier Ltd.. All rights reserved.

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

PubMed Central

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

2014-01-01

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

An Experimental Comparison Between Flexible and Rigid Airfoils at Low Reynolds Numbers

NASA Astrophysics Data System (ADS)

Uzodinma, Jaylon; Macphee, David

2017-11-01

This study uses experimental and computational research methods to compare the aerodynamic performance of rigid and flexible airfoils at a low Reynolds number throughout varying angles of attack. This research can be used to improve the design of small wind turbines, micro-aerial vehicles, and any other devices that operate at low Reynolds numbers. Experimental testing was conducted in the University of Alabama's low-speed wind tunnel, and computational testing was conducted using the open-source CFD code OpenFOAM. For experimental testing, polyurethane-based (rigid) airfoils and silicone-based (flexible) airfoils were constructed using acrylic molds for NACA 0012 and NACA 2412 airfoil profiles. Computer models of the previously-specified airfoils were also created for a computational analysis. Both experimental and computational data were analyzed to examine the critical angles of attack, the lift and drag coefficients, and the occurrence of laminar boundary separation for each airfoil. Moreover, the computational simulations were used to examine the resulting flow fields, in order to provide possible explanations for the aerodynamic performances of each airfoil type. EEC 1659710.

Hot spot computational identification: Application to the complex formed between the hen egg white lysozyme (HEL) and the antibody HyHEL-10

NASA Astrophysics Data System (ADS)

Moreira, I. S.; Fernandes, P. A.; Ramos, M. J.

The definition and comprehension of the hot spots in an interface is a subject of primary interest for a variety of fields, including structure-based drug design. Therefore, to achieve an alanine mutagenesis computational approach that is at the same time accurate and predictive, capable of reproducing the experimental mutagenesis values is a major challenge in the computational biochemistry field. Antibody/protein antigen complexes provide one of the greatest models to study protein-protein recognition process because they have three fundamentally features: specificity, high complementary association and a small epitope restricted to the diminutive complementary determining regions (CDR) region, while the remainder of the antibody is largely invariant. Thus, we apply a computational mutational methodological approach to the study of the antigen-antibody complex formed between the hen egg white lysozyme (HEL) and the antibody HyHEL-10. A critical evaluation that focuses essentially on the limitations and advantages between different computational methods for hot spot determination, as well as between experimental and computational methodological approaches, is presented.

Proceedings of the Sixth NASA Langley Formal Methods (LFM) Workshop

NASA Technical Reports Server (NTRS)

Rozier, Kristin Yvonne (Editor)

2008-01-01

Today's verification techniques are hard-pressed to scale with the ever-increasing complexity of safety critical systems. Within the field of aeronautics alone, we find the need for verification of algorithms for separation assurance, air traffic control, auto-pilot, Unmanned Aerial Vehicles (UAVs), adaptive avionics, automated decision authority, and much more. Recent advances in formal methods have made verifying more of these problems realistic. Thus we need to continually re-assess what we can solve now and identify the next barriers to overcome. Only through an exchange of ideas between theoreticians and practitioners from academia to industry can we extend formal methods for the verification of ever more challenging problem domains. This volume contains the extended abstracts of the talks presented at LFM 2008: The Sixth NASA Langley Formal Methods Workshop held on April 30 - May 2, 2008 in Newport News, Virginia, USA. The topics of interest that were listed in the call for abstracts were: advances in formal verification techniques; formal models of distributed computing; planning and scheduling; automated air traffic management; fault tolerance; hybrid systems/hybrid automata; embedded systems; safety critical applications; safety cases; accident/safety analysis.

Critical thinking traits of top-tier experts and implications for computer science education

NASA Astrophysics Data System (ADS)

Bushey, Dean E.

A documented shortage of technical leadership and top-tier performers in computer science jeopardizes the technological edge, security, and economic well-being of the nation. The 2005 President's Information and Technology Advisory Committee (PITAC) Report on competitiveness in computational sciences highlights the major impact of science, technology, and innovation in keeping America competitive in the global marketplace. It stresses the fact that the supply of science, technology, and engineering experts is at the core of America's technological edge, national competitiveness and security. However, recent data shows that both undergraduate and postgraduate production of computer scientists is falling. The decline is "a quiet crisis building in the United States," a crisis that, if allowed to continue unchecked, could endanger America's well-being and preeminence among the world's nations. Past research on expert performance has shown that the cognitive traits of critical thinking, creativity, and problem solving possessed by top-tier performers can be identified, observed and measured. The studies show that the identified attributes are applicable across many domains and disciplines. Companies have begun to realize that cognitive skills are important for high-level performance and are reevaluating the traditional academic standards they have used to predict success for their top-tier performers in computer science. Previous research in the computer science field has focused either on programming skills of its experts or has attempted to predict the academic success of students at the undergraduate level. This study, on the other hand, examines the critical-thinking skills found among experts in the computer science field in order to explore the questions, "What cognitive skills do outstanding performers possess that make them successful?" and "How do currently used measures of academic performance correlate to critical-thinking skills among students?" The results of this study suggest a need to examine how critical-thinking abilities are learned in the undergraduate computer science curriculum and the need to foster these abilities in order to produce the high-level, critical-thinking professionals necessary to fill the growing need for these experts. Due to the fact that current measures of academic performance do not adequately depict students' cognitive abilities, assessment of these skills must be incorporated into existing curricula.

Event-Triggered Adaptive Dynamic Programming for Continuous-Time Systems With Control Constraints.

PubMed

Dong, Lu; Zhong, Xiangnan; Sun, Changyin; He, Haibo

2016-08-31

In this paper, an event-triggered near optimal control structure is developed for nonlinear continuous-time systems with control constraints. Due to the saturating actuators, a nonquadratic cost function is introduced and the Hamilton-Jacobi-Bellman (HJB) equation for constrained nonlinear continuous-time systems is formulated. In order to solve the HJB equation, an actor-critic framework is presented. The critic network is used to approximate the cost function and the action network is used to estimate the optimal control law. In addition, in the proposed method, the control signal is transmitted in an aperiodic manner to reduce the computational and the transmission cost. Both the networks are only updated at the trigger instants decided by the event-triggered condition. Detailed Lyapunov analysis is provided to guarantee that the closed-loop event-triggered system is ultimately bounded. Three case studies are used to demonstrate the effectiveness of the proposed method.

The Individual Virtual Eye: a Computer Model for Advanced Intraocular Lens Calculation

PubMed Central

Einighammer, Jens; Oltrup, Theo; Bende, Thomas; Jean, Benedikt

2010-01-01

Purpose To describe the individual virtual eye, a computer model of a human eye with respect to its optical properties. It is based on measurements of an individual person and one of its major application is calculating intraocular lenses (IOLs) for cataract surgery. Methods The model is constructed from an eye's geometry, including axial length and topographic measurements of the anterior corneal surface. All optical components of a pseudophakic eye are modeled with computer scientific methods. A spline-based interpolation method efficiently includes data from corneal topographic measurements. The geometrical optical properties, such as the wavefront aberration, are simulated with real ray-tracing using Snell's law. Optical components can be calculated using computer scientific optimization procedures. The geometry of customized aspheric IOLs was calculated for 32 eyes and the resulting wavefront aberration was investigated. Results The more complex the calculated IOL is, the lower the residual wavefront error is. Spherical IOLs are only able to correct for the defocus, while toric IOLs also eliminate astigmatism. Spherical aberration is additionally reduced by aspheric and toric aspheric IOLs. The efficient implementation of time-critical numerical ray-tracing and optimization procedures allows for short calculation times, which may lead to a practicable method integrated in some device. Conclusions The individual virtual eye allows for simulations and calculations regarding geometrical optics for individual persons. This leads to clinical applications like IOL calculation, with the potential to overcome the limitations of those current calculation methods that are based on paraxial optics, exemplary shown by calculating customized aspheric IOLs.

A new technology perspective and engineering tools approach for large, complex and distributed mission and safety critical systems components

NASA Technical Reports Server (NTRS)

Carrio, Miguel A., Jr.

1988-01-01

Rapidly emerging technology and methodologies have out-paced the systems development processes' ability to use them effectively, if at all. At the same time, the tools used to build systems are becoming obsolescent themselves as a consequence of the same technology lag that plagues systems development. The net result is that systems development activities have not been able to take advantage of available technology and have become equally dependent on aging and ineffective computer-aided engineering tools. New methods and tools approaches are essential if the demands of non-stop and Mission and Safety Critical (MASC) components are to be met.

Lightweight high-performance 1-4 meter class spaceborne mirrors: emerging technology for demanding spaceborne requirements

NASA Astrophysics Data System (ADS)

Hull, Tony; Hartmann, Peter; Clarkson, Andrew R.; Barentine, John M.; Jedamzik, Ralf; Westerhoff, Thomas

2010-07-01

Pending critical spaceborne requirements, including coronagraphic detection of exoplanets, require exceptionally smooth mirror surfaces, aggressive lightweighting, and low-risk cost-effective optical manufacturing methods. Simultaneous development at Schott for production of aggressively lightweighted (>90%) Zerodur® mirror blanks, and at L-3 Brashear for producing ultra-smooth surfaces on Zerodur®, will be described. New L-3 techniques for large-mirror optical fabrication include Computer Controlled Optical Surfacing (CCOS) pioneered at L-3 Tinsley, and the world's largest MRF machine in place at L-3 Brashear. We propose that exceptional mirrors for the most critical spaceborne applications can now be produced with the technologies described.

Critical Dimensions of Water-tamped Slabs and Spheres of Active Material

DOE R&D Accomplishments Database

Greuling, E.; Argo, H.: Chew, G.; Frankel, M. E.; Konopinski, E.J.; Marvin, C.; Teller, E.

1946-08-06

The magnitude and distribution of the fission rate per unit area produced by three energy groups of moderated neutrons reflected from a water tamper into one side of an infinite slab of active material is calculated approximately in section II. This rate is directly proportional to the current density of fast neutrons from the active material incident on the water tamper. The critical slab thickness is obtained in section III by solving an inhomogeneous transport integral equation for the fast-neutron current density into the tamper. Extensive use is made of the formulae derived in "The Mathematical Development of the End-Point Method" by Frankel and Goldberg. In section IV slight alterations in the theory outlined in sections II and III were made so that one could approximately compute the critical radius of a water-tamper sphere of active material. The derived formulae were applied to calculate the critical dimensions of water-tamped slabs and spheres of solid UF{sub 6} leaving various (25) isotope enrichment fractions. Decl. Dec. 16, 1955.

Single-Blinded Prospective Implementation of a Preoperative Imaging Checklist for Endoscopic Sinus Surgery.

PubMed

Error, Marc; Ashby, Shaelene; Orlandi, Richard R; Alt, Jeremiah A

2018-01-01

Objective To determine if the introduction of a systematic preoperative sinus computed tomography (CT) checklist improves identification of critical anatomic variations in sinus anatomy among patients undergoing endoscopic sinus surgery. Study Design Single-blinded prospective cohort study. Setting Tertiary care hospital. Subjects and Methods Otolaryngology residents were asked to identify critical surgical sinus anatomy on preoperative CT scans before and after introduction of a systematic approach to reviewing sinus CT scans. The percentage of correctly identified structures was documented and compared with a 2-sample t test. Results A total of 57 scans were reviewed: 28 preimplementation and 29 postimplementation. Implementation of the sinus CT checklist improved identification of critical sinus anatomy from 24% to 84% correct ( P < .001). All residents, junior and senior, demonstrated significant improvement in identification of sinus anatomic variants, including those not directly included in the systematic review implemented. Conclusion The implementation of a preoperative endoscopic sinus surgery radiographic checklist improves identification of critical anatomic sinus variations in a training population.

Fast recovery of free energy landscapes via diffusion-map-directed molecular dynamics.

PubMed

Preto, Jordane; Clementi, Cecilia

2014-09-28

The reaction pathways characterizing macromolecular systems of biological interest are associated with high free energy barriers. Resorting to the standard all-atom molecular dynamics (MD) to explore such critical regions may be inappropriate as the time needed to observe the relevant transitions can be remarkably long. In this paper, we present a new method called Extended Diffusion-Map-directed Molecular Dynamics (extended DM-d-MD) used to enhance the sampling of MD trajectories in such a way as to rapidly cover all important regions of the free energy landscape including deep metastable states and critical transition paths. Moreover, extended DM-d-MD was combined with a reweighting scheme enabling to save on-the-fly information about the Boltzmann distribution. Our algorithm was successfully applied to two systems, alanine dipeptide and alanine-12. Due to the enhanced sampling, the Boltzmann distribution is recovered much faster than in plain MD simulations. For alanine dipeptide, we report a speedup of one order of magnitude with respect to plain MD simulations. For alanine-12, our algorithm allows us to highlight all important unfolded basins in several days of computation when one single misfolded event is barely observable within the same amount of computational time by plain MD simulations. Our method is reaction coordinate free, shows little dependence on the a priori knowledge of the system, and can be implemented in such a way that the biased steps are not computationally expensive with respect to MD simulations thus making our approach well adapted for larger complex systems from which little information is known.

Use of computer-aided testing in the investigation of pilot response to critical in-flight events. Volume 2: Appendix

NASA Technical Reports Server (NTRS)

Rockwell, T. H.; Giffin, W. C.

1982-01-01

Computer displays using PLATO are illustrated. Diagnostic scenarios are described. A sample of subject data is presented. Destination diversion displays, a combined destination, diversion scenario, and critical in-flight event (CIFE) data collection/subject testing system are presented.

Response to Dr. Smith's Comments and Criticisms Concerning "Identification of Student Misconceptions in Genetics Problem Solving via Computer Program."

ERIC Educational Resources Information Center

Browning, Mark; Lehman, James D.

1991-01-01

Authors respond to criticisms by Smith in the same issue and defend their use of the term "gene" and "misconception." Authors indicate that they did not believe that the use of computers significantly skewed their data concerning student errors. (PR)

Exploring Gigabyte Datasets in Real Time: Architectures, Interfaces and Time-Critical Design

NASA Technical Reports Server (NTRS)

Bryson, Steve; Gerald-Yamasaki, Michael (Technical Monitor)

1998-01-01

Architectures and Interfaces: The implications of real-time interaction on software architecture design: decoupling of interaction/graphics and computation into asynchronous processes. The performance requirements of graphics and computation for interaction. Time management in such an architecture. Examples of how visualization algorithms must be modified for high performance. Brief survey of interaction techniques and design, including direct manipulation and manipulation via widgets. talk discusses how human factors considerations drove the design and implementation of the virtual wind tunnel. Time-Critical Design: A survey of time-critical techniques for both computation and rendering. Emphasis on the assignment of a time budget to both the overall visualization environment and to each individual visualization technique in the environment. The estimation of the benefit and cost of an individual technique. Examples of the modification of visualization algorithms to allow time-critical control.

Examining Neuronal Connectivity and Its Role in Learning and Memory

NASA Astrophysics Data System (ADS)

Gala, Rohan

Learning and long-term memory formation are accompanied with changes in the patterns and weights of synaptic connections in the underlying neuronal network. However, the fundamental rules that drive connectivity changes, and the precise structure-function relationships within neuronal networks remain elusive. Technological improvements over the last few decades have enabled the observation of large but specific subsets of neurons and their connections in unprecedented detail. Devising robust and automated computational methods is critical to distill information from ever-increasing volumes of raw experimental data. Moreover, statistical models and theoretical frameworks are required to interpret the data and assemble evidence into understanding of brain function. In this thesis, I first describe computational methods to reconstruct connectivity based on light microscopy imaging experiments. Next, I use these methods to quantify structural changes in connectivity based on in vivo time-lapse imaging experiments. Finally, I present a theoretical model of associative learning that can explain many stereotypical features of experimentally observed connectivity.

An Automated Parallel Image Registration Technique Based on the Correlation of Wavelet Features

NASA Technical Reports Server (NTRS)

LeMoigne, Jacqueline; Campbell, William J.; Cromp, Robert F.; Zukor, Dorothy (Technical Monitor)

2001-01-01

With the increasing importance of multiple platform/multiple remote sensing missions, fast and automatic integration of digital data from disparate sources has become critical to the success of these endeavors. Our work utilizes maxima of wavelet coefficients to form the basic features of a correlation-based automatic registration algorithm. Our wavelet-based registration algorithm is tested successfully with data from the National Oceanic and Atmospheric Administration (NOAA) Advanced Very High Resolution Radiometer (AVHRR) and the Landsat/Thematic Mapper(TM), which differ by translation and/or rotation. By the choice of high-frequency wavelet features, this method is similar to an edge-based correlation method, but by exploiting the multi-resolution nature of a wavelet decomposition, our method achieves higher computational speeds for comparable accuracies. This algorithm has been implemented on a Single Instruction Multiple Data (SIMD) massively parallel computer, the MasPar MP-2, as well as on the CrayT3D, the Cray T3E and a Beowulf cluster of Pentium workstations.

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

Rapid Phenotyping of Root Systems of Brachypodium Plants Using X-ray Computed Tomography: a Comparative Study of Soil Types and Segmentation Tools

NASA Astrophysics Data System (ADS)

Varga, T.; McKinney, A. L.; Bingham, E.; Handakumbura, P. P.; Jansson, C.

2017-12-01

Plant roots play a critical role in plant-soil-microbe interactions that occur in the rhizosphere, as well as in processes with important implications to farming and thus human food supply. X-ray computed tomography (XCT) has been proven to be an effective tool for non-invasive root imaging and analysis. Selected Brachypodium distachyon phenotypes were grown in both natural and artificial soil mixes. The specimens were imaged by XCT, and the root architectures were extracted from the data using three different software-based methods; RooTrak, ImageJ-based WEKA segmentation, and the segmentation feature in VG Studio MAX. The 3D root image was successfully segmented at 30 µm resolution by all three methods. In this presentation, ease of segmentation and the accuracy of the extracted quantitative information (root volume and surface area) will be compared between soil types and segmentation methods. The best route to easy and accurate segmentation and root analysis will be highlighted.

An adaptive tau-leaping method for stochastic simulations of reaction-diffusion systems

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

Padgett, Jill M. A.; Ilie, Silvana, E-mail: silvana@ryerson.ca

2016-03-15

Stochastic modelling is critical for studying many biochemical processes in a cell, in particular when some reacting species have low population numbers. For many such cellular processes the spatial distribution of the molecular species plays a key role. The evolution of spatially heterogeneous biochemical systems with some species in low amounts is accurately described by the mesoscopic model of the Reaction-Diffusion Master Equation. The Inhomogeneous Stochastic Simulation Algorithm provides an exact strategy to numerically solve this model, but it is computationally very expensive on realistic applications. We propose a novel adaptive time-stepping scheme for the tau-leaping method for approximating themore » solution of the Reaction-Diffusion Master Equation. This technique combines effective strategies for variable time-stepping with path preservation to reduce the computational cost, while maintaining the desired accuracy. The numerical tests on various examples arising in applications show the improved efficiency achieved by the new adaptive method.« less

A short course on measure and probability theories

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

Pebay, Philippe Pierre

2004-02-01

This brief Introduction to Measure Theory, and its applications to Probabilities, corresponds to the lecture notes of a seminar series given at Sandia National Laboratories in Livermore, during the spring of 2003. The goal of these seminars was to provide a minimal background to Computational Combustion scientists interested in using more advanced stochastic concepts and methods, e.g., in the context of uncertainty quantification. Indeed, most mechanical engineering curricula do not provide students with formal training in the field of probability, and even in less in measure theory. However, stochastic methods have been used more and more extensively in the pastmore » decade, and have provided more successful computational tools. Scientists at the Combustion Research Facility of Sandia National Laboratories have been using computational stochastic methods for years. Addressing more and more complex applications, and facing difficult problems that arose in applications showed the need for a better understanding of theoretical foundations. This is why the seminar series was launched, and these notes summarize most of the concepts which have been discussed. The goal of the seminars was to bring a group of mechanical engineers and computational combustion scientists to a full understanding of N. WIENER'S polynomial chaos theory. Therefore, these lectures notes are built along those lines, and are not intended to be exhaustive. In particular, the author welcomes any comments or criticisms.« less

Frequency guided methods for demodulation of a single fringe pattern.

PubMed

Wang, Haixia; Kemao, Qian

2009-08-17

Phase demodulation from a single fringe pattern is a challenging task but of interest. A frequency-guided regularized phase tracker and a frequency-guided sequential demodulation method with Levenberg-Marquardt optimization are proposed to demodulate a single fringe pattern. Demodulation path guided by the local frequency from the highest to the lowest is applied in both methods. Since critical points have low local frequency values, they are processed last so that the spurious sign problem caused by these points is avoided. These two methods can be considered as alternatives to the effective fringe follower regularized phase tracker. Demodulation results from one computer-simulated and two experimental fringe patterns using the proposed methods will be demonstrated. (c) 2009 Optical Society of America

Technical Note: SCUDA: A software platform for cumulative dose assessment

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

Park, Seyoun; McNutt, Todd; Quon, Harry

Purpose: Accurate tracking of anatomical changes and computation of actually delivered dose to the patient are critical for successful adaptive radiation therapy (ART). Additionally, efficient data management and fast processing are practically important for the adoption in clinic as ART involves a large amount of image and treatment data. The purpose of this study was to develop an accurate and efficient Software platform for CUmulative Dose Assessment (SCUDA) that can be seamlessly integrated into the clinical workflow. Methods: SCUDA consists of deformable image registration (DIR), segmentation, dose computation modules, and a graphical user interface. It is connected to our imagemore » PACS and radiotherapy informatics databases from which it automatically queries/retrieves patient images, radiotherapy plan, beam data, and daily treatment information, thus providing an efficient and unified workflow. For accurate registration of the planning CT and daily CBCTs, the authors iteratively correct CBCT intensities by matching local intensity histograms during the DIR process. Contours of the target tumor and critical structures are then propagated from the planning CT to daily CBCTs using the computed deformations. The actual delivered daily dose is computed using the registered CT and patient setup information by a superposition/convolution algorithm, and accumulated using the computed deformation fields. Both DIR and dose computation modules are accelerated by a graphics processing unit. Results: The cumulative dose computation process has been validated on 30 head and neck (HN) cancer cases, showing 3.5 ± 5.0 Gy (mean±STD) absolute mean dose differences between the planned and the actually delivered doses in the parotid glands. On average, DIR, dose computation, and segmentation take 20 s/fraction and 17 min for a 35-fraction treatment including additional computation for dose accumulation. Conclusions: The authors developed a unified software platform that provides accurate and efficient monitoring of anatomical changes and computation of actually delivered dose to the patient, thus realizing an efficient cumulative dose computation workflow. Evaluation on HN cases demonstrated the utility of our platform for monitoring the treatment quality and detecting significant dosimetric variations that are keys to successful ART.« less

Application of queueing models to multiprogrammed computer systems operating in a time-critical environment

NASA Technical Reports Server (NTRS)

Eckhardt, D. E., Jr.

1979-01-01

A model of a central processor (CPU) which services background applications in the presence of time critical activity is presented. The CPU is viewed as an M/M/1 queueing system subject to periodic interrupts by deterministic, time critical process. The Laplace transform of the distribution of service times for the background applications is developed. The use of state of the art queueing models for studying the background processing capability of time critical computer systems is discussed and the results of a model validation study which support this application of queueing models are presented.

Use of SCALE Continuous-Energy Monte Carlo Tools for Eigenvalue Sensitivity Coefficient Calculations

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

Perfetti, Christopher M; Rearden, Bradley T

2013-01-01

The TSUNAMI code within the SCALE code system makes use of eigenvalue sensitivity coefficients for an extensive number of criticality safety applications, such as quantifying the data-induced uncertainty in the eigenvalue of critical systems, assessing the neutronic similarity between different critical systems, and guiding nuclear data adjustment studies. The need to model geometrically complex systems with improved fidelity and the desire to extend TSUNAMI analysis to advanced applications has motivated the development of a methodology for calculating sensitivity coefficients in continuous-energy (CE) Monte Carlo applications. The CLUTCH and Iterated Fission Probability (IFP) eigenvalue sensitivity methods were recently implemented in themore » CE KENO framework to generate the capability for TSUNAMI-3D to perform eigenvalue sensitivity calculations in continuous-energy applications. This work explores the improvements in accuracy that can be gained in eigenvalue and eigenvalue sensitivity calculations through the use of the SCALE CE KENO and CE TSUNAMI continuous-energy Monte Carlo tools as compared to multigroup tools. The CE KENO and CE TSUNAMI tools were used to analyze two difficult models of critical benchmarks, and produced eigenvalue and eigenvalue sensitivity coefficient results that showed a marked improvement in accuracy. The CLUTCH sensitivity method in particular excelled in terms of efficiency and computational memory requirements.« less

Critical behavior of the anisotropic Heisenberg model by effective-field renormalization group

NASA Astrophysics Data System (ADS)

de Sousa, J. Ricardo; Fittipaldi, I. P.

1994-05-01

A real-space effective-field renormalization-group method (ERFG) recently derived for computing critical properties of Ising spins is extended to treat the quantum spin-1/2 anisotropic Heisenberg model. The formalism is based on a generalized but approximate Callen-Suzuki spin relation and utilizes a convenient differential operator expansion technique. The method is illustrated in several lattice structures by employing its simplest approximation version in which clusters with one (N'=1) and two (N=2) spins are used. The results are compared with those obtained from the standard mean-field (MFRG) and Migdal-Kadanoff (MKRG) renormalization-group treatments and it is shown that this technique leads to rather accurate results. It is shown that, in contrast with the MFRG and MKRG predictions, the EFRG, besides correctly distinguishing the geometries of different lattice structures, also provides a vanishing critical temperature for all two-dimensional lattices in the isotropic Heisenberg limit. For the simple cubic lattice, the dependence of the transition temperature Tc with the exchange anisotropy parameter Δ [i.e., Tc(Δ)], and the resulting value for the critical thermal crossover exponent φ [i.e., Tc≂Tc(0)+AΔ1/φ ] are in quite good agreement with results available in the literature in which more sophisticated treatments are used.

Computers and the internet: tools for youth empowerment.

PubMed

Valaitis, Ruta K

2005-10-04

Youth are often disenfranchised in their communities and may feel they have little voice. Since computers are an important aspect of youth culture, they may offer solutions to increasing youth participation in communities. This qualitative case study investigated the perceptions of 19 (predominantly female) inner-city school youth about their use of computers and the Internet in a school-based community development project. Youth working with public health nurses in a school-based community development project communicated with local community members using computer-mediated communication, surveyed peers online, built websites, searched for information online, and prepared project materials using computers and the Internet. Participant observation, semistructured interviews, analysis of online messages, and online- and paper-based surveys were used to gather data about youth's and adults' perceptions and use of the technologies. Constant comparison method and between-method triangulation were used in the analysis to satisfy the existence of themes. Not all youth were interested in working with computers. Some electronic messages from adults were perceived to be critical, and writing to adults was intimidating for some youth. In addition, technical problems were experienced. Despite these barriers, most youth perceived that using computers and the Internet reduced their anxiety concerning communication with adults, increased their control when dealing with adults, raised their perception of their social status, increased participation within the community, supported reflective thought, increased efficiency, and improved their access to resources. Overall, youth perceived computers and the Internet to be empowering tools, and they should be encouraged to use such technology to support them in community initiatives.

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.

Pd-Catalyzed N-Arylation of Secondary Acyclic Amides: Catalyst Development, Scope, and Computational Study

PubMed Central

Hicks, Jacqueline D.; Hyde, Alan M.; Cuezva, Alberto Martinez; Buchwald, Stephen L.

2009-01-01

We report the efficient N-arylation of acyclic secondary amides and related nucleophiles with aryl nonaflates, triflates, and chlorides. This method allows for easy variation of the aromatic component in tertiary aryl amides. A new biaryl phosphine with P-bound 3,5-(bis)trifluoromethylphenyl groups was found to be uniquely effective for this amidation. The critical aspects of the ligand were explored through synthetic, mechanistic, and computational studies. Systematic variation of the ligand revealed the importance of (1) a methoxy group on the aromatic carbon of the “top ring” ortho to the phosphorus and (2) two highly electron-withdrawing P-bound 3,5-(bis)trifluoromethylphenyl groups. Computational studies suggest the electron-deficient nature of the ligand is important in facilitating amide binding to the LPd(II)(Ph)(X) intermediate. PMID:19886610

Critical Point Cancellation in 3D Vector Fields: Robustness and Discussion

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

Skraba, Primoz; Rosen, Paul; Wang, Bei

Vector field topology has been successfully applied to represent the structure of steady vector fields. Critical points, one of the essential components of vector field topology, play an important role in describing the complexity of the extracted structure. Simplifying vector fields via critical point cancellation has practical merit for interpreting the behaviors of complex vector fields such as turbulence. However, there is no effective technique that allows direct cancellation of critical points in 3D. This work fills this gap and introduces the first framework to directly cancel pairs or groups of 3D critical points in a hierarchical manner with amore » guaranteed minimum amount of perturbation based on their robustness, a quantitative measure of their stability. In addition, our framework does not require the extraction of the entire 3D topology, which contains non-trivial separation structures, and thus is computationally effective. Furthermore, our algorithm can remove critical points in any subregion of the domain whose degree is zero and handle complex boundary configurations, making it capable of addressing challenging scenarios that may not be resolved otherwise. Here, we apply our method to synthetic and simulation datasets to demonstrate its effectiveness.« less

Critical Point Cancellation in 3D Vector Fields: Robustness and Discussion.

PubMed

Skraba, Primoz; Rosen, Paul; Wang, Bei; Chen, Guoning; Bhatia, Harsh; Pascucci, Valerio

2016-02-29

Vector field topology has been successfully applied to represent the structure of steady vector fields. Critical points, one of the essential components of vector field topology, play an important role in describing the complexity of the extracted structure. Simplifying vector fields via critical point cancellation has practical merit for interpreting the behaviors of complex vector fields such as turbulence. However, there is no effective technique that allows direct cancellation of critical points in 3D. This work fills this gap and introduces the first framework to directly cancel pairs or groups of 3D critical points in a hierarchical manner with a guaranteed minimum amount of perturbation based on their robustness, a quantitative measure of their stability. In addition, our framework does not require the extraction of the entire 3D topology, which contains non-trivial separation structures, and thus is computationally effective. Furthermore, our algorithm can remove critical points in any subregion of the domain whose degree is zero and handle complex boundary configurations, making it capable of addressing challenging scenarios that may not be resolved otherwise. We apply our method to synthetic and simulation datasets to demonstrate its effectiveness.

Critical Point Cancellation in 3D Vector Fields: Robustness and Discussion

DOE PAGES

Skraba, Primoz; Rosen, Paul; Wang, Bei; ...

2016-02-29

Vector field topology has been successfully applied to represent the structure of steady vector fields. Critical points, one of the essential components of vector field topology, play an important role in describing the complexity of the extracted structure. Simplifying vector fields via critical point cancellation has practical merit for interpreting the behaviors of complex vector fields such as turbulence. However, there is no effective technique that allows direct cancellation of critical points in 3D. This work fills this gap and introduces the first framework to directly cancel pairs or groups of 3D critical points in a hierarchical manner with amore » guaranteed minimum amount of perturbation based on their robustness, a quantitative measure of their stability. In addition, our framework does not require the extraction of the entire 3D topology, which contains non-trivial separation structures, and thus is computationally effective. Furthermore, our algorithm can remove critical points in any subregion of the domain whose degree is zero and handle complex boundary configurations, making it capable of addressing challenging scenarios that may not be resolved otherwise. Here, we apply our method to synthetic and simulation datasets to demonstrate its effectiveness.« less

Critic: a new program for the topological analysis of solid-state electron densities

NASA Astrophysics Data System (ADS)

Otero-de-la-Roza, A.; Blanco, M. A.; Pendás, A. Martín; Luaña, Víctor

2009-01-01

In this paper we introduce CRITIC, a new program for the topological analysis of the electron densities of crystalline solids. Two different versions of the code are provided, one adapted to the LAPW (Linear Augmented Plane Wave) density calculated by the WIEN2K package and the other to the ab initio Perturbed Ion ( aiPI) density calculated with the PI7 code. Using the converged ground state densities, CRITIC can locate their critical points, determine atomic basins and integrate properties within them, and generate several graphical representations which include topological atomic basins and primary bundles, contour maps of ρ and ∇ρ, vector maps of ∇ρ, chemical graphs, etc. Program summaryProgram title: CRITIC Catalogue identifier: AECB_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AECB_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GPL, version 3 No. of lines in distributed program, including test data, etc.: 1 206 843 No. of bytes in distributed program, including test data, etc.: 12 648 065 Distribution format: tar.gz Programming language: FORTRAN 77 and 90 Computer: Any computer capable of compiling Fortran Operating system: Unix, GNU/Linux Classification: 7.3 Nature of problem: Topological analysis of the electron density in periodic solids. Solution method: The automatic localization of the electron density critical points is based on a recursive partitioning of the Wigner-Seitz cell into tetrahedra followed by a Newton search from significant points on each tetrahedra. Plotting of and integration on the atomic basins is currently based on a new implementation of Keith's promega algorithm. Running time: Variable, depending on the task. From seconds to a few minutes for the localization of critical points. Hours to days for the determination of the atomic basins shape and properties. Times correspond to a typical 2007 PC.

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

Detecting vapour bubbles in simulations of metastable water

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

González, Miguel A.; Abascal, Jose L. F.; Valeriani, Chantal, E-mail: christoph.dellago@univie.ac.at, E-mail: cvaleriani@quim.ucm.es

2014-11-14

The investigation of cavitation in metastable liquids with molecular simulations requires an appropriate definition of the volume of the vapour bubble forming within the metastable liquid phase. Commonly used approaches for bubble detection exhibit two significant flaws: first, when applied to water they often identify the voids within the hydrogen bond network as bubbles thus masking the signature of emerging bubbles and, second, they lack thermodynamic consistency. Here, we present two grid-based methods, the M-method and the V-method, to detect bubbles in metastable water specifically designed to address these shortcomings. The M-method incorporates information about neighbouring grid cells to distinguishmore » between liquid- and vapour-like cells, which allows for a very sensitive detection of small bubbles and high spatial resolution of the detected bubbles. The V-method is calibrated such that its estimates for the bubble volume correspond to the average change in system volume and are thus thermodynamically consistent. Both methods are computationally inexpensive such that they can be used in molecular dynamics and Monte Carlo simulations of cavitation. We illustrate them by computing the free energy barrier and the size of the critical bubble for cavitation in water at negative pressure.« less

Vertebral rotation measurement: a summary and comparison of common radiographic and CT methods

PubMed Central

Lam, Gabrielle C; Hill, Doug L; Le, Lawrence H; Raso, Jim V; Lou, Edmond H

2008-01-01

Current research has provided a more comprehensive understanding of Adolescent Idiopathic Scoliosis (AIS) as a three-dimensional spinal deformity, encompassing both lateral and rotational components. Apart from quantifying curve severity using the Cobb angle, vertebral rotation has become increasingly prominent in the study of scoliosis. It demonstrates significance in both preoperative and postoperative assessment, providing better appreciation of the impact of bracing or surgical interventions. In the past, the need for computer resources, digitizers and custom software limited studies of rotation to research performed after a patient left the scoliosis clinic. With advanced technology, however, rotation measurements are now more feasible. While numerous vertebral rotation measurement methods have been developed and tested, thorough comparisons of these are still relatively unexplored. This review discusses the advantages and disadvantages of six common measurement techniques based on technology most pertinent in clinical settings: radiography (Cobb, Nash-Moe, Perdriolle and Stokes' method) and computer tomography (CT) imaging (Aaro-Dahlborn and Ho's method). Better insight into the clinical suitability of rotation measurement methods currently available is presented, along with a discussion of critical concerns that should be addressed in future studies and development of new methods. PMID:18976498

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

Lu, Tianfeng

The goal of the proposed research is to create computational flame diagnostics (CFLD) that are rigorous numerical algorithms for systematic detection of critical flame features, such as ignition, extinction, and premixed and non-premixed flamelets, and to understand the underlying physicochemical processes controlling limit flame phenomena, flame stabilization, turbulence-chemistry interactions and pollutant emissions etc. The goal has been accomplished through an integrated effort on mechanism reduction, direct numerical simulations (DNS) of flames at engine conditions and a variety of turbulent flames with transport fuels, computational diagnostics, turbulence modeling, and DNS data mining and data reduction. The computational diagnostics are primarily basedmore » on the chemical explosive mode analysis (CEMA) and a recently developed bifurcation analysis using datasets from first-principle simulations of 0-D reactors, 1-D laminar flames, and 2-D and 3-D DNS (collaboration with J.H. Chen and S. Som at Argonne, and C.S. Yoo at UNIST). Non-stiff reduced mechanisms for transportation fuels amenable for 3-D DNS are developed through graph-based methods and timescale analysis. The flame structures, stabilization mechanisms, local ignition and extinction etc., and the rate controlling chemical processes are unambiguously identified through CFLD. CEMA is further employed to segment complex turbulent flames based on the critical flame features, such as premixed reaction fronts, and to enable zone-adaptive turbulent combustion modeling.« less

Temperature dependence of the NMR spin-lattice relaxation rate for spin-1/2 chains

NASA Astrophysics Data System (ADS)

Coira, E.; Barmettler, P.; Giamarchi, T.; Kollath, C.

2016-10-01

We use recent developments in the framework of a time-dependent matrix product state method to compute the nuclear magnetic resonance relaxation rate 1 /T1 for spin-1/2 chains under magnetic field and for different Hamiltonians (XXX, XXZ, isotropically dimerized). We compute numerically the temperature dependence of the 1 /T1 . We consider both gapped and gapless phases, and also the proximity of quantum critical points. At temperatures much lower than the typical exchange energy scale, our results are in excellent agreement with analytical results, such as the ones derived from the Tomonaga-Luttinger liquid (TLL) theory and bosonization, which are valid in this regime. We also cover the regime for which the temperature T is comparable to the exchange coupling. In this case analytical theories are not appropriate, but this regime is relevant for various new compounds with exchange couplings in the range of tens of Kelvin. For the gapped phases, either the fully polarized phase for spin chains or the low-magnetic-field phase for the dimerized systems, we find an exponential decrease in Δ /(kBT ) of the relaxation time and can compute the gap Δ . Close to the quantum critical point our results are in good agreement with the scaling behavior based on the existence of free excitations.

Critical phenomena in communication/computation networks with various topologies and suboptimal to optimal resource allocation

NASA Astrophysics Data System (ADS)

Cogoni, Marco; Busonera, Giovanni; Anedda, Paolo; Zanetti, Gianluigi

2015-01-01

We generalize previous studies on critical phenomena in communication networks [1,2] by adding computational capabilities to the nodes. In our model, a set of tasks with random origin, destination and computational structure is distributed on a computational network, modeled as a graph. By varying the temperature of a Metropolis Montecarlo, we explore the global latency for an optimal to suboptimal resource assignment at a given time instant. By computing the two-point correlation function for the local overload, we study the behavior of the correlation distance (both for links and nodes) while approaching the congested phase: a transition from peaked to spread g(r) is seen above a critical (Montecarlo) temperature Tc. The average latency trend of the system is predicted by averaging over several network traffic realizations while maintaining a spatially detailed information for each node: a sharp decrease of performance is found over Tc independently of the workload. The globally optimized computational resource allocation and network routing defines a baseline for a future comparison of the transition behavior with respect to existing routing strategies [3,4] for different network topologies.

Trusted Computing Technologies, Intel Trusted Execution Technology.

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

Guise, Max Joseph; Wendt, Jeremy Daniel

2011-01-01

We describe the current state-of-the-art in Trusted Computing Technologies - focusing mainly on Intel's Trusted Execution Technology (TXT). This document is based on existing documentation and tests of two existing TXT-based systems: Intel's Trusted Boot and Invisible Things Lab's Qubes OS. We describe what features are lacking in current implementations, describe what a mature system could provide, and present a list of developments to watch. Critical systems perform operation-critical computations on high importance data. In such systems, the inputs, computation steps, and outputs may be highly sensitive. Sensitive components must be protected from both unauthorized release, and unauthorized alteration: Unauthorizedmore » users should not access the sensitive input and sensitive output data, nor be able to alter them; the computation contains intermediate data with the same requirements, and executes algorithms that the unauthorized should not be able to know or alter. Due to various system requirements, such critical systems are frequently built from commercial hardware, employ commercial software, and require network access. These hardware, software, and network system components increase the risk that sensitive input data, computation, and output data may be compromised.« less

MIPS: The good, the bad and the useful

NASA Technical Reports Server (NTRS)

Richardson, Jerry K.

1987-01-01

Many authors are critical of the use of MIPS (Millions of Instructions per Second) as a measure of computer power. Some feel that MIPS are meaningless. While there is justification for some of the criticism of MIPS, sometimes the criticism is carried too far. MIPS can be a useful number for planning and estimating purposes when used in a homogeneous computer environmnet. Comparisons between published MIPS ratings and benchmark results reveal that there does exist a high positive correlation between MIPS and tested performance, given a homogeneous computer environment. MIPS should be understood so as not to be misused. It is not correct that the use of MIPS is always inappropriate or inaccurate

Creating a Simple Single Computational Approach to Modeling Rarefied and Continuum Flow About Aerospace Vehicles

NASA Technical Reports Server (NTRS)

Goldstein, David B.; Varghese, Philip L.

1997-01-01

We proposed to create a single computational code incorporating methods that can model both rarefied and continuum flow to enable the efficient simulation of flow about space craft and high altitude hypersonic aerospace vehicles. The code was to use a single grid structure that permits a smooth transition between the continuum and rarefied portions of the flow. Developing an appropriate computational boundary between the two regions represented a major challenge. The primary approach chosen involves coupling a four-speed Lattice Boltzmann model for the continuum flow with the DSMC method in the rarefied regime. We also explored the possibility of using a standard finite difference Navier Stokes solver for the continuum flow. With the resulting code we will ultimately investigate three-dimensional plume impingement effects, a subject of critical importance to NASA and related to the work of Drs. Forrest Lumpkin, Steve Fitzgerald and Jay Le Beau at Johnson Space Center. Below is a brief background on the project and a summary of the results as of the end of the grant.

Online learning control using adaptive critic designs with sparse kernel machines.

PubMed

Xu, Xin; Hou, Zhongsheng; Lian, Chuanqiang; He, Haibo

2013-05-01

In the past decade, adaptive critic designs (ACDs), including heuristic dynamic programming (HDP), dual heuristic programming (DHP), and their action-dependent ones, have been widely studied to realize online learning control of dynamical systems. However, because neural networks with manually designed features are commonly used to deal with continuous state and action spaces, the generalization capability and learning efficiency of previous ACDs still need to be improved. In this paper, a novel framework of ACDs with sparse kernel machines is presented by integrating kernel methods into the critic of ACDs. To improve the generalization capability as well as the computational efficiency of kernel machines, a sparsification method based on the approximately linear dependence analysis is used. Using the sparse kernel machines, two kernel-based ACD algorithms, that is, kernel HDP (KHDP) and kernel DHP (KDHP), are proposed and their performance is analyzed both theoretically and empirically. Because of the representation learning and generalization capability of sparse kernel machines, KHDP and KDHP can obtain much better performance than previous HDP and DHP with manually designed neural networks. Simulation and experimental results of two nonlinear control problems, that is, a continuous-action inverted pendulum problem and a ball and plate control problem, demonstrate the effectiveness of the proposed kernel ACD methods.

Efficient biprediction decision scheme for fast high efficiency video coding encoding

NASA Astrophysics Data System (ADS)

Park, Sang-hyo; Lee, Seung-ho; Jang, Euee S.; Jun, Dongsan; Kang, Jung-Won

2016-11-01

An efficient biprediction decision scheme of high efficiency video coding (HEVC) is proposed for fast-encoding applications. For low-delay video applications, bidirectional prediction can be used to increase compression performance efficiently with previous reference frames. However, at the same time, the computational complexity of the HEVC encoder is significantly increased due to the additional biprediction search. Although a some research has attempted to reduce this complexity, whether the prediction is strongly related to both motion complexity and prediction modes in a coding unit has not yet been investigated. A method that avoids most compression-inefficient search points is proposed so that the computational complexity of the motion estimation process can be dramatically decreased. To determine if biprediction is critical, the proposed method exploits the stochastic correlation of the context of prediction units (PUs): the direction of a PU and the accuracy of a motion vector. Through experimental results, the proposed method showed that the time complexity of biprediction can be reduced to 30% on average, outperforming existing methods in view of encoding time, number of function calls, and memory access.

Specialized computer system to diagnose critical lined equipment

NASA Astrophysics Data System (ADS)

Yemelyanov, V. A.; Yemelyanova, N. Y.; Morozova, O. A.; Nedelkin, A. A.

2018-05-01

The paper presents data on the problem of diagnosing the lining condition at the iron and steel works. The authors propose and describe the structure of the specialized computer system to diagnose critical lined equipment. The relative results of diagnosing lining condition by the basic system and the proposed specialized computer system are presented. To automate evaluation of lining condition and support in making decisions regarding the operation mode of the lined equipment, the specialized software has been developed.

Computation and visualization of uncertainty in surgical navigation.

PubMed

Simpson, Amber L; Ma, Burton; Vasarhelyi, Edward M; Borschneck, Dan P; Ellis, Randy E; James Stewart, A

2014-09-01

Surgical displays do not show uncertainty information with respect to the position and orientation of instruments. Data is presented as though it were perfect; surgeons unaware of this uncertainty could make critical navigational mistakes. The propagation of uncertainty to the tip of a surgical instrument is described and a novel uncertainty visualization method is proposed. An extensive study with surgeons has examined the effect of uncertainty visualization on surgical performance with pedicle screw insertion, a procedure highly sensitive to uncertain data. It is shown that surgical performance (time to insert screw, degree of breach of pedicle, and rotation error) is not impeded by the additional cognitive burden imposed by uncertainty visualization. Uncertainty can be computed in real time and visualized without adversely affecting surgical performance, and the best method of uncertainty visualization may depend upon the type of navigation display. Copyright © 2013 John Wiley & Sons, Ltd.

Fully Convolutional Architecture for Low-Dose CT Image Noise Reduction

NASA Astrophysics Data System (ADS)

Badretale, S.; Shaker, F.; Babyn, P.; Alirezaie, J.

2017-10-01

One of the critical topics in medical low-dose Computed Tomography (CT) imaging is how best to maintain image quality. As the quality of images decreases with lowering the X-ray radiation dose, improving image quality is extremely important and challenging. We have proposed a novel approach to denoise low-dose CT images. Our algorithm learns directly from an end-to-end mapping from the low-dose Computed Tomography images for denoising the normal-dose CT images. Our method is based on a deep convolutional neural network with rectified linear units. By learning various low-level to high-level features from a low-dose image the proposed algorithm is capable of creating a high-quality denoised image. We demonstrate the superiority of our technique by comparing the results with two other state-of-the-art methods in terms of the peak signal to noise ratio, root mean square error, and a structural similarity index.

Solute segregation kinetics and dislocation depinning in a binary alloy

NASA Astrophysics Data System (ADS)

Dontsova, E.; Rottler, J.; Sinclair, C. W.

2015-06-01

Static strain aging, a phenomenon caused by diffusion of solute atoms to dislocations, is an important contributor to the strength of substitutional alloys. Accurate modeling of this complex process requires both atomic spatial resolution and diffusional time scales, which is very challenging to achieve with commonly used atomistic computational methods. In this paper, we use the recently developed "diffusive molecular dynamics" (DMD) method that is capable of describing the kinetics of the solute segregation process at the atomic level while operating on diffusive time scales in a computationally efficient way. We study static strain aging in the Al-Mg system and calculate the depinning shear stress between edge and screw dislocations and their solute atmospheres formed for various waiting times with different solute content and for a range of temperatures. A simple phenomenological model is also proposed that describes the observed behavior of the critical shear stress as a function of segregation level.

Conformational Sampling in Template-Free Protein Loop Structure Modeling: An Overview

PubMed Central

Li, Yaohang

2013-01-01

Accurately modeling protein loops is an important step to predict three-dimensional structures as well as to understand functions of many proteins. Because of their high flexibility, modeling the three-dimensional structures of loops is difficult and is usually treated as a “mini protein folding problem” under geometric constraints. In the past decade, there has been remarkable progress in template-free loop structure modeling due to advances of computational methods as well as stably increasing number of known structures available in PDB. This mini review provides an overview on the recent computational approaches for loop structure modeling. In particular, we focus on the approaches of sampling loop conformation space, which is a critical step to obtain high resolution models in template-free methods. We review the potential energy functions for loop modeling, loop buildup mechanisms to satisfy geometric constraints, and loop conformation sampling algorithms. The recent loop modeling results are also summarized. PMID:24688696

Using electronic surveys in nursing research.

PubMed

Cope, Diane G

2014-11-01

Computer and Internet use in businesses and homes in the United States has dramatically increased since the early 1980s. In 2011, 76% of households reported having a computer, compared with only 8% in 1984 (File, 2013). A similar increase in Internet use has also been seen, with 72% of households reporting access of the Internet in 2011 compared with 18% in 1997 (File, 2013). This emerging trend in technology has prompted use of electronic surveys in the research community as an alternative to previous telephone and postal surveys. Electronic surveys can offer an efficient, cost-effective method for data collection; however, challenges exist. An awareness of the issues and strategies to optimize data collection using web-based surveys is critical when designing research studies. This column will discuss the different types and advantages and disadvantages of using electronic surveys in nursing research, as well as methods to optimize the quality and quantity of survey responses.

Conformational sampling in template-free protein loop structure modeling: an overview.

PubMed

Li, Yaohang

2013-01-01

Accurately modeling protein loops is an important step to predict three-dimensional structures as well as to understand functions of many proteins. Because of their high flexibility, modeling the three-dimensional structures of loops is difficult and is usually treated as a "mini protein folding problem" under geometric constraints. In the past decade, there has been remarkable progress in template-free loop structure modeling due to advances of computational methods as well as stably increasing number of known structures available in PDB. This mini review provides an overview on the recent computational approaches for loop structure modeling. In particular, we focus on the approaches of sampling loop conformation space, which is a critical step to obtain high resolution models in template-free methods. We review the potential energy functions for loop modeling, loop buildup mechanisms to satisfy geometric constraints, and loop conformation sampling algorithms. The recent loop modeling results are also summarized.

Saccadic eye movements analysis as a measure of drug effect on central nervous system function.

PubMed

Tedeschi, G; Quattrone, A; Bonavita, V

1986-04-01

Peak velocity (PSV) and duration (SD) of horizontal saccadic eye movements are demonstrably under the control of specific brain stem structures. Experimental and clinical evidence suggest the existence of an immediate premotor system for saccade generation located in the paramedian pontine reticular formation (PPRF). Effects on saccadic eye movements have been studied in normal volunteers with barbiturates, benzodiazepines, amphetamine and ethanol. On two occasions computer analysis of PSV, SD, saccade reaction time (SRT) and saccade accuracy (SA) was carried out in comparison with more traditional methods of assessment of human psychomotor performance like choice reaction time (CRT) and critical flicker fusion threshold (CFFT). The computer system proved to be a highly sensitive and objective method for measuring drug effect on central nervous system (CNS) function. It allows almost continuous sampling of data and appears to be particularly suitable for studying rapidly changing drug effects on the CNS.

METCAN: The metal matrix composite analyzer

NASA Technical Reports Server (NTRS)

Hopkins, Dale A.; Murthy, Pappu L. N.

1988-01-01

Metal matrix composites (MMC) are the subject of intensive study and are receiving serious consideration for critical structural applications in advanced aerospace systems. MMC structural analysis and design methodologies are studied. Predicting the mechanical and thermal behavior and the structural response of components fabricated from MMC requires the use of a variety of mathematical models. These models relate stresses to applied forces, stress intensities at the tips of cracks to nominal stresses, buckling resistance to applied force, or vibration response to excitation forces. The extensive research in computational mechanics methods for predicting the nonlinear behavior of MMC are described. This research has culminated in the development of the METCAN (METal Matrix Composite ANalyzer) computer code.

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.

The Role of the National Defense Stockpile in the Supply of Strategic and Critical Materials

DTIC Science & Technology

2008-05-09

Insurance Trust Fund and the Federal Supplementary Medical Trust Fund.53 12 Analysis of NDS Operations and Alternatives The current method of determining...requirements are based upon analysis of military, industrial, and essential civilian materials needs in light of conflict scenarios found in the National...Defense Strategy. The bulk of this analysis is done utilizing computer modeling. First, the model projects the needs for finished products and services

Co Modeling and Co Synthesis of Safety Critical Multi threaded Embedded Software for Multi Core Embedded Platforms

DTIC Science & Technology

2017-03-20

computation, Prime Implicates, Boolean Abstraction, real- time embedded software, software synthesis, correct by construction software design , model...types for time -dependent data-flow networks". J.-P. Talpin, P. Jouvelot, S. Shukla. ACM-IEEE Conference on Methods and Models for System Design ...information is estimated to average 1 hour per response, including the time for reviewing instructions, searching existing   data sources, gathering and

Improving Maintenance Data Collection Via Point-of- Maintenance (POMX) Implementation

DTIC Science & Technology

2006-03-01

accurate documentation, (3) identifying and correcting the root causes for poor data integrity, and (4) educating the unit on the critical need for data ...the validity of the results. The data in this study were analyzed using the SAS JMP 6.0 statistical software package. The results for the tests...traditional keyboard data entry methods at a computer terminal. These terminals are typically located in the aircraft maintenance unit (AMU) facility , away

Improving Maintenance Data Collection Via Point-Of-Maintenance (POMX) Implementation

DTIC Science & Technology

2006-03-01

accurate documentation, (3) identifying and correcting the root causes for poor data integrity, and (4) educating the unit on the critical need for data ...the validity of the results. The data in this study were analyzed using the SAS JMP 6.0 statistical software package. The results for the tests...traditional keyboard data entry methods at a computer terminal. These terminals are typically located in the aircraft maintenance unit (AMU) facility , away

JPRS Report, Science & Technology, USSR: Computers

DTIC Science & Technology

1987-08-11

Based on Game Models (V.O. Groppen, AVTOMATIKA I TELEMEKHANIKA, No 8, Aug 86) •••• 25 Problems of Documenting Activity of Data Bank Administration...DOKUMENTY, No 12, Dec 86) 55 Standardization of Management Documents - One of Methods of Qualitative Increase of Their Effectiveness (V.l. Kokorev...minimal effect or does not produce anything at all. Machines must be used for the entire manufactur- ing process cycle, at its most "critical

Learning for Semantic Parsing with Kernels under Various Forms of Supervision

DTIC Science & Technology

2007-08-01

natural language sentences to their formal executable meaning representations. This is a challenging problem and is critical for developing computing...sentences are semantically tractable. This indi- cates that Geoquery is more challenging domain for semantic parsing than ATIS. In the past, there have been a...Combining parsers. In Proceedings of the Conference on Em- pirical Methods in Natural Language Processing and Very Large Corpora (EMNLP/ VLC -99), pp. 187–194

Mechanistic analysis of intramolecular free radical reactions toward synthesis of 7-azabicyclo[2.2.1]heptane derivatives.

PubMed

Soriano, Elena; Marco-Contelles, José

2009-06-05

The mechanisms for the formation of conformationally constrained epibatidine analogues by intramolecular free radical processes have been computationally addressed by means of DFT methods. The mechanism and the critical effect of the 7-nitrogen protecting group on the outcome of these radical-mediated cyclizations are discussed. Theoretical findings account for unexpected experimental results and can assist in the selection of proper precursors for a successful cyclization.

Adaptive Constrained Optimal Control Design for Data-Based Nonlinear Discrete-Time Systems With Critic-Only Structure.

PubMed

Luo, Biao; Liu, Derong; Wu, Huai-Ning

2018-06-01

Reinforcement learning has proved to be a powerful tool to solve optimal control problems over the past few years. However, the data-based constrained optimal control problem of nonaffine nonlinear discrete-time systems has rarely been studied yet. To solve this problem, an adaptive optimal control approach is developed by using the value iteration-based Q-learning (VIQL) with the critic-only structure. Most of the existing constrained control methods require the use of a certain performance index and only suit for linear or affine nonlinear systems, which is unreasonable in practice. To overcome this problem, the system transformation is first introduced with the general performance index. Then, the constrained optimal control problem is converted to an unconstrained optimal control problem. By introducing the action-state value function, i.e., Q-function, the VIQL algorithm is proposed to learn the optimal Q-function of the data-based unconstrained optimal control problem. The convergence results of the VIQL algorithm are established with an easy-to-realize initial condition . To implement the VIQL algorithm, the critic-only structure is developed, where only one neural network is required to approximate the Q-function. The converged Q-function obtained from the critic-only VIQL method is employed to design the adaptive constrained optimal controller based on the gradient descent scheme. Finally, the effectiveness of the developed adaptive control method is tested on three examples with computer simulation.

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

Meeks, Kelsey; Pantoya, Michelle L.; Green, Micah

For dispersions containing a single type of particle, it has been observed that the onset of percolation coincides with a critical value of volume fraction. When the volume fraction is calculated based on excluded volume, this critical percolation threshold is nearly invariant to particle shape. The critical threshold has been calculated to high precision for simple geometries using Monte Carlo simulations, but this method is slow at best, and infeasible for complex geometries. This article explores an analytical approach to the prediction of percolation threshold in polydisperse mixtures. Specifically, this paper suggests an extension of the concept of excluded volume,more » and applies that extension to the 2D binary disk system. The simple analytical expression obtained is compared to Monte Carlo results from the literature. In conclusion, the result may be computed extremely rapidly and matches key parameters closely enough to be useful for composite material design.« less

High-Precision Monte Carlo Simulation of the Ising Models on the Penrose Lattice and the Dual Penrose Lattice

NASA Astrophysics Data System (ADS)

Komura, Yukihiro; Okabe, Yutaka

2016-04-01

We study the Ising models on the Penrose lattice and the dual Penrose lattice by means of the high-precision Monte Carlo simulation. Simulating systems up to the total system size N = 20633239, we estimate the critical temperatures on those lattices with high accuracy. For high-speed calculation, we use the generalized method of the single-GPU-based computation for the Swendsen-Wang multi-cluster algorithm of Monte Carlo simulation. As a result, we estimate the critical temperature on the Penrose lattice as Tc/J = 2.39781 ± 0.00005 and that of the dual Penrose lattice as Tc*/J = 2.14987 ± 0.00005. Moreover, we definitely confirm the duality relation between the critical temperatures on the dual pair of quasilattices with a high degree of accuracy, sinh (2J/Tc)sinh (2J/Tc*) = 1.00000 ± 0.00004.

Neural-network-observer-based optimal control for unknown nonlinear systems using adaptive dynamic programming

NASA Astrophysics Data System (ADS)

Liu, Derong; Huang, Yuzhu; Wang, Ding; Wei, Qinglai

2013-09-01

In this paper, an observer-based optimal control scheme is developed for unknown nonlinear systems using adaptive dynamic programming (ADP) algorithm. First, a neural-network (NN) observer is designed to estimate system states. Then, based on the observed states, a neuro-controller is constructed via ADP method to obtain the optimal control. In this design, two NN structures are used: a three-layer NN is used to construct the observer which can be applied to systems with higher degrees of nonlinearity and without a priori knowledge of system dynamics, and a critic NN is employed to approximate the value function. The optimal control law is computed using the critic NN and the observer NN. Uniform ultimate boundedness of the closed-loop system is guaranteed. The actor, critic, and observer structures are all implemented in real-time, continuously and simultaneously. Finally, simulation results are presented to demonstrate the effectiveness of the proposed control scheme.

Technological Collaborations: K-12 and Higher Education. Fastback 438.

ERIC Educational Resources Information Center

Ferguson, Kay McPherson; Kopp, O. W.

This brief report examines various ways in which K-12 schools and institutions of higher education can collaborate to effect critical changes in teaching and learning through the use of computers. The first section briefly reviews the history of computer use in education, noting such critical needs as teacher training, and reviews the…

Game Literacy, Gaming Cultures and Media Education

ERIC Educational Resources Information Center

Partington, Anthony

2010-01-01

This article presents an overview of how the popular "3-Cs" model (creative, critical and cultural) for literacy and media literacy can be applied to the study of computer games in the English and Media classroom. Focusing on the development of an existing computer games course that encompasses many opportunities for critical activity…

Two Configurations for Accessing Classroom Computers: Differential Impact on Students' Critical Reflections and Their Empowerment

ERIC Educational Resources Information Center

Solhaug, T.

2009-01-01

The context of this article is the new technological environment and the struggle to use meaningful teaching practices in Norwegian schools. Students' critical reflections in two different technological learning environments in six upper secondary schools are compared. Three of these schools offer Internet-connected computers in special computer…

Critical Thinking about Literature through Computer Networking.

ERIC Educational Resources Information Center

Long, Thomas L.; Pedersen, Christine

A computer-oriented, classroom-based research project was conducted at Thomas Nelson Community College in Hampton, Virginia, to explore the ways in which students in a composition and literature class might use a local area network (LAN) as a catalyst to critical thinking, to construct a decentralized classroom, and to use various forms of…

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.

A GPU-accelerated semi-implicit fractional-step method for numerical solutions of incompressible Navier-Stokes equations

NASA Astrophysics Data System (ADS)

Ha, Sanghyun; Park, Junshin; You, Donghyun

2018-01-01

Utility of the computational power of Graphics Processing Units (GPUs) is elaborated for solutions of incompressible Navier-Stokes equations which are integrated using a semi-implicit fractional-step method. The Alternating Direction Implicit (ADI) and the Fourier-transform-based direct solution methods used in the semi-implicit fractional-step method take advantage of multiple tridiagonal matrices whose inversion is known as the major bottleneck for acceleration on a typical multi-core machine. A novel implementation of the semi-implicit fractional-step method designed for GPU acceleration of the incompressible Navier-Stokes equations is presented. Aspects of the programing model of Compute Unified Device Architecture (CUDA), which are critical to the bandwidth-bound nature of the present method are discussed in detail. A data layout for efficient use of CUDA libraries is proposed for acceleration of tridiagonal matrix inversion and fast Fourier transform. OpenMP is employed for concurrent collection of turbulence statistics on a CPU while the Navier-Stokes equations are computed on a GPU. Performance of the present method using CUDA is assessed by comparing the speed of solving three tridiagonal matrices using ADI with the speed of solving one heptadiagonal matrix using a conjugate gradient method. An overall speedup of 20 times is achieved using a Tesla K40 GPU in comparison with a single-core Xeon E5-2660 v3 CPU in simulations of turbulent boundary-layer flow over a flat plate conducted on over 134 million grids. Enhanced performance of 48 times speedup is reached for the same problem using a Tesla P100 GPU.

An Object-oriented Taxonomy of Medical Data Presentations

PubMed Central

Starren, Justin; Johnson, Stephen B.

2000-01-01

A variety of methods have been proposed for presenting medical data visually on computers. Discussion of and comparison among these methods have been hindered by a lack of consistent terminology. A taxonomy of medical data presentations based on object-oriented user interface principles is presented. Presentations are divided into five major classes—list, table, graph, icon, and generated text. These are subdivided into eight subclasses with simple inheritance and four subclasses with multiple inheritance. The various subclasses are reviewed and examples are provided. Issues critical to the development and evaluation of presentations are also discussed. PMID:10641959

Computer program for preliminary design analysis of axial-flow turbines

NASA Technical Reports Server (NTRS)

Glassman, A. J.

1972-01-01

The program method is based on a mean-diameter flow analysis. Input design requirements include power or pressure ratio, flow, temperature, pressure, and speed. Turbine designs are generated for any specified number of stages and for any of three types of velocity diagrams (symmetrical, zero exit swirl, or impulse). Exit turning vanes can be included in the design. Program output includes inlet and exit annulus dimensions, exit temperature and pressure, total and static efficiencies, blading angles, and last-stage critical velocity ratios. The report presents the analysis method, a description of input and output with sample cases, and the program listing.

Improving FMEA risk assessment through reprioritization of failures

NASA Astrophysics Data System (ADS)

Ungureanu, A. L.; Stan, G.

2016-08-01

Most of the current methods used to assess the failure and to identify the industrial equipment defects are based on the determination of Risk Priority Number (RPN). Although conventional RPN calculation is easy to understand and use, the methodology presents some limitations, such as the large number of duplicates and the difficulty of assessing the RPN indices. In order to eliminate the afore-mentioned shortcomings, this paper puts forward an easy and efficient computing method, called Failure Developing Mode and Criticality Analysis (FDMCA), which takes into account the failures and the defect evolution in time, from failure appearance to a breakdown.

Modeling the probability distribution of peak discharge for infiltrating hillslopes

NASA Astrophysics Data System (ADS)

Baiamonte, Giorgio; Singh, Vijay P.

2017-07-01

Hillslope response plays a fundamental role in the prediction of peak discharge at the basin outlet. The peak discharge for the critical duration of rainfall and its probability distribution are needed for designing urban infrastructure facilities. This study derives the probability distribution, denoted as GABS model, by coupling three models: (1) the Green-Ampt model for computing infiltration, (2) the kinematic wave model for computing discharge hydrograph from the hillslope, and (3) the intensity-duration-frequency (IDF) model for computing design rainfall intensity. The Hortonian mechanism for runoff generation is employed for computing the surface runoff hydrograph. Since the antecedent soil moisture condition (ASMC) significantly affects the rate of infiltration, its effect on the probability distribution of peak discharge is investigated. Application to a watershed in Sicily, Italy, shows that with the increase of probability, the expected effect of ASMC to increase the maximum discharge diminishes. Only for low values of probability, the critical duration of rainfall is influenced by ASMC, whereas its effect on the peak discharge seems to be less for any probability. For a set of parameters, the derived probability distribution of peak discharge seems to be fitted by the gamma distribution well. Finally, an application to a small watershed, with the aim to test the possibility to arrange in advance the rational runoff coefficient tables to be used for the rational method, and a comparison between peak discharges obtained by the GABS model with those measured in an experimental flume for a loamy-sand soil were carried out.

Optimization of Aerospace Structure Subject to Damage Tolerance Criteria

NASA Technical Reports Server (NTRS)

Akgun, Mehmet A.

1999-01-01

The objective of this cooperative agreement was to seek computationally efficient ways to optimize aerospace structures subject to damage tolerance criteria. Optimization was to involve sizing as well as topology optimization. The work was done in collaboration with Steve Scotti, Chauncey Wu and Joanne Walsh at the NASA Langley Research Center. Computation of constraint sensitivity is normally the most time-consuming step of an optimization procedure. The cooperative work first focused on this issue and implemented the adjoint method of sensitivity computation in an optimization code (runstream) written in Engineering Analysis Language (EAL). The method was implemented both for bar and plate elements including buckling sensitivity for the latter. Lumping of constraints was investigated as a means to reduce the computational cost. Adjoint sensitivity computation was developed and implemented for lumped stress and buckling constraints. Cost of the direct method and the adjoint method was compared for various structures with and without lumping. The results were reported in two papers. It is desirable to optimize topology of an aerospace structure subject to a large number of damage scenarios so that a damage tolerant structure is obtained. Including damage scenarios in the design procedure is critical in order to avoid large mass penalties at later stages. A common method for topology optimization is that of compliance minimization which has not been used for damage tolerant design. In the present work, topology optimization is treated as a conventional problem aiming to minimize the weight subject to stress constraints. Multiple damage configurations (scenarios) are considered. Each configuration has its own structural stiffness matrix and, normally, requires factoring of the matrix and solution of the system of equations. Damage that is expected to be tolerated is local and represents a small change in the stiffness matrix compared to the baseline (undamaged) structure. The exact solution to a slightly modified set of equations can be obtained from the baseline solution economically without actually solving the modified system. Sherrnan-Morrison-Woodbury (SMW) formulas are matrix update formulas that allow this. SMW formulas were therefore used here to compute adjoint displacements for sensitivity computation and structural displacements in damaged configurations.

Learning experiences of science teachers in a computer-mediated communication context

NASA Astrophysics Data System (ADS)

Chung, Chia-Jung

The use of computer-mediated-communication (CMC) has been applied increasingly in staff development efforts for teachers. Many teacher education programs are looking to CMC, particularly computer conferencing systems, as an effective and low-cost medium for the delivery of teacher educational programs anytime, anywhere. Based on constructivist learning theories, this study focused on examining the use of an online discussion board in a graduate course as a place where forty-six inservice teachers shared experiences and ideas. Data collection focused on online discussion transcripts of all the messages from three separate weeks, and supplemented by interviews and teacher self-evaluation reports. The nature and development of the discussions were studied over one semester by analyzing teacher online discussions in two domains: critical reflections and social-interpersonal rapport. In effect, this study provided insights into how to employ computer conferencing technology in facilitating inservice teachers' teaching practices and their professional development. Major findings include: (1) Participation: The level of participation varied during the semester but was higher at the beginning of the semester and lower at the end of the semester. (2) Critical Reflection: Teachers' critical reflection developed over time as a result of the online discussion board according to mean critical thinking scores during the three selected weeks. Cognitive presence was found mostly in focused discussion forums and social presence mainly existed in the unfocused discussion forums. (3) Social-Interpersonal Rapport: The number of social cues in the messages increased initially but declined significantly over time. When teachers focused more on on-task discussions or critical reflection, there was less social conversation. (4) Teaching Practices and Professional Development: The researcher, the instructor, and teachers identified some advantages for using computer conferencing for improving teaching practices and for professional development. The results of this study suggest that applying computer-mediated communication in teacher education would impact positively on teachers' growth in critical reflection and social-interpersonal rapport. Furthermore, this study may encourage other researchers to use cognitive and social learning theories as the theoretical backgrounds for developing teacher educational models by applying computer conferencing.

Critical Analysis of Cluster Models and Exchange-Correlation Functionals for Calculating Magnetic Shielding in Molecular Solids.

PubMed

Holmes, Sean T; Iuliucci, Robbie J; Mueller, Karl T; Dybowski, Cecil

2015-11-10

Calculations of the principal components of magnetic-shielding tensors in crystalline solids require the inclusion of the effects of lattice structure on the local electronic environment to obtain significant agreement with experimental NMR measurements. We assess periodic (GIPAW) and GIAO/symmetry-adapted cluster (SAC) models for computing magnetic-shielding tensors by calculations on a test set containing 72 insulating molecular solids, with a total of 393 principal components of chemical-shift tensors from 13C, 15N, 19F, and 31P sites. When clusters are carefully designed to represent the local solid-state environment and when periodic calculations include sufficient variability, both methods predict magnetic-shielding tensors that agree well with experimental chemical-shift values, demonstrating the correspondence of the two computational techniques. At the basis-set limit, we find that the small differences in the computed values have no statistical significance for three of the four nuclides considered. Subsequently, we explore the effects of additional DFT methods available only with the GIAO/cluster approach, particularly the use of hybrid-GGA functionals, meta-GGA functionals, and hybrid meta-GGA functionals that demonstrate improved agreement in calculations on symmetry-adapted clusters. We demonstrate that meta-GGA functionals improve computed NMR parameters over those obtained by GGA functionals in all cases, and that hybrid functionals improve computed results over the respective pure DFT functional for all nuclides except 15N.

Imperceptible watermarking for security of fundus images in tele-ophthalmology applications and computer-aided diagnosis of retina diseases.

PubMed

Singh, Anushikha; Dutta, Malay Kishore

2017-12-01

The authentication and integrity verification of medical images is a critical and growing issue for patients in e-health services. Accurate identification of medical images and patient verification is an essential requirement to prevent error in medical diagnosis. The proposed work presents an imperceptible watermarking system to address the security issue of medical fundus images for tele-ophthalmology applications and computer aided automated diagnosis of retinal diseases. In the proposed work, patient identity is embedded in fundus image in singular value decomposition domain with adaptive quantization parameter to maintain perceptual transparency for variety of fundus images like healthy fundus or disease affected image. In the proposed method insertion of watermark in fundus image does not affect the automatic image processing diagnosis of retinal objects & pathologies which ensure uncompromised computer-based diagnosis associated with fundus image. Patient ID is correctly recovered from watermarked fundus image for integrity verification of fundus image at the diagnosis centre. The proposed watermarking system is tested in a comprehensive database of fundus images and results are convincing. results indicate that proposed watermarking method is imperceptible and it does not affect computer vision based automated diagnosis of retinal diseases. Correct recovery of patient ID from watermarked fundus image makes the proposed watermarking system applicable for authentication of fundus images for computer aided diagnosis and Tele-ophthalmology applications. Copyright © 2017 Elsevier B.V. All rights reserved.

Heterogeneous nucleation from a supercooled ionic liquid on a carbon surface

NASA Astrophysics Data System (ADS)

He, Xiaoxia; Shen, Yan; Hung, Francisco R.; Santiso, Erik E.

2016-12-01

Classical molecular dynamics simulations were used to study the nucleation of the crystal phase of the ionic liquid [dmim+][Cl-] from its supercooled liquid phase, both in the bulk and in contact with a graphitic surface of D = 3 nm. By combining the string method in collective variables [Maragliano et al., J. Chem. Phys. 125, 024106 (2006)], with Markovian milestoning with Voronoi tessellations [Maragliano et al., J. Chem. Theory Comput. 5, 2589-2594 (2009)] and order parameters for molecular crystals [Santiso and Trout, J. Chem. Phys. 134, 064109 (2011)], we computed minimum free energy paths, the approximate size of the critical nucleus, the free energy barrier, and the rates involved in these nucleation processes. For homogeneous nucleation, the subcooled liquid phase has to overcome a free energy barrier of ˜85 kcal/mol to form a critical nucleus of size ˜3.6 nm, which then grows into the monoclinic crystal phase. This free energy barrier becomes about 42% smaller (˜49 kcal/mol) when the subcooled liquid phase is in contact with a graphitic disk, and the critical nucleus formed is about 17% smaller (˜3.0 nm) than the one observed for homogeneous nucleation. The crystal formed in the heterogeneous nucleation scenario has a structure that is similar to that of the bulk crystal, with the exception of the layers of ions next to the graphene surface, which have larger local density and the cations lie with their imidazolium rings parallel to the graphitic surface. The critical nucleus forms near the graphene surface separated only by these layers of ions. The heterogeneous nucleation rate (˜4.8 × 1011 cm-3 s-1) is about one order of magnitude faster than the homogeneous rate (˜6.6 × 1010 cm-3 s-1). The computed free energy barriers and nucleation rates are in reasonable agreement with experimental and simulation values obtained for the homogeneous and heterogeneous nucleation of other systems (ice, urea, Lennard-Jones spheres, and oxide glasses).

Heterogeneous nucleation from a supercooled ionic liquid on a carbon surface.

PubMed

He, Xiaoxia; Shen, Yan; Hung, Francisco R; Santiso, Erik E

2016-12-07

Classical molecular dynamics simulations were used to study the nucleation of the crystal phase of the ionic liquid [dmim + ][Cl - ] from its supercooled liquid phase, both in the bulk and in contact with a graphitic surface of D = 3 nm. By combining the string method in collective variables [Maragliano et al., J. Chem. Phys. 125, 024106 (2006)], with Markovian milestoning with Voronoi tessellations [Maragliano et al., J. Chem. Theory Comput. 5, 2589-2594 (2009)] and order parameters for molecular crystals [Santiso and Trout, J. Chem. Phys. 134, 064109 (2011)], we computed minimum free energy paths, the approximate size of the critical nucleus, the free energy barrier, and the rates involved in these nucleation processes. For homogeneous nucleation, the subcooled liquid phase has to overcome a free energy barrier of ∼85 kcal/mol to form a critical nucleus of size ∼3.6 nm, which then grows into the monoclinic crystal phase. This free energy barrier becomes about 42% smaller (∼49 kcal/mol) when the subcooled liquid phase is in contact with a graphitic disk, and the critical nucleus formed is about 17% smaller (∼3.0 nm) than the one observed for homogeneous nucleation. The crystal formed in the heterogeneous nucleation scenario has a structure that is similar to that of the bulk crystal, with the exception of the layers of ions next to the graphene surface, which have larger local density and the cations lie with their imidazolium rings parallel to the graphitic surface. The critical nucleus forms near the graphene surface separated only by these layers of ions. The heterogeneous nucleation rate (∼4.8 × 10 11 cm -3 s -1 ) is about one order of magnitude faster than the homogeneous rate (∼6.6 × 10 10 cm -3 s -1 ). The computed free energy barriers and nucleation rates are in reasonable agreement with experimental and simulation values obtained for the homogeneous and heterogeneous nucleation of other systems (ice, urea, Lennard-Jones spheres, and oxide glasses).

Knowledge acquisition, semantic text mining, and security risks in health and biomedical informatics

PubMed Central

Huang, Jingshan; Dou, Dejing; Dang, Jiangbo; Pardue, J Harold; Qin, Xiao; Huan, Jun; Gerthoffer, William T; Tan, Ming

2012-01-01

Computational techniques have been adopted in medical and biological systems for a long time. There is no doubt that the development and application of computational methods will render great help in better understanding biomedical and biological functions. Large amounts of datasets have been produced by biomedical and biological experiments and simulations. In order for researchers to gain knowledge from original data, nontrivial transformation is necessary, which is regarded as a critical link in the chain of knowledge acquisition, sharing, and reuse. Challenges that have been encountered include: how to efficiently and effectively represent human knowledge in formal computing models, how to take advantage of semantic text mining techniques rather than traditional syntactic text mining, and how to handle security issues during the knowledge sharing and reuse. This paper summarizes the state-of-the-art in these research directions. We aim to provide readers with an introduction of major computing themes to be applied to the medical and biological research. PMID:22371823

Crosswords to computers: a critical review of popular approaches to cognitive enhancement.

PubMed

Jak, Amy J; Seelye, Adriana M; Jurick, Sarah M

2013-03-01

Cognitive enhancement strategies have gained recent popularity and have the potential to benefit clinical and non-clinical populations. As technology advances and the number of cognitively healthy adults seeking methods of improving or preserving cognitive functioning grows, the role of electronic (e.g., computer and video game based) cognitive training becomes more relevant and warrants greater scientific scrutiny. This paper serves as a critical review of empirical evaluations of publically available electronic cognitive training programs. Many studies have found that electronic training approaches result in significant improvements in trained cognitive tasks. Fewer studies have demonstrated improvements in untrained tasks within the trained cognitive domain, non-trained cognitive domains, or on measures of everyday function. Successful cognitive training programs will elicit effects that generalize to untrained, practical tasks for extended periods of time. Unfortunately, many studies of electronic cognitive training programs are hindered by methodological limitations such as lack of an adequate control group, long-term follow-up and ecologically valid outcome measures. Despite these limitations, evidence suggests that computerized cognitive training has the potential to positively impact one's sense of social connectivity and self-efficacy.

Configuration and Sizing of a Test Fixture for Panels Under Combined Loads

NASA Technical Reports Server (NTRS)

Lovejoy, Andrew E.

2006-01-01

Future air and space structures are expected to utilize composite panels that are subjected to combined mechanical loads, such as bi-axial compression/tension, shear and pressure. Therefore, the ability to accurately predict the buckling and strength failures of such panels is important. While computational analysis can provide tremendous insight into panel response, experimental results are necessary to verify predicted performances of these panels to judge the accuracy of computational methods. However, application of combined loads is an extremely difficult task due to the complex test fixtures and set-up required. Presented herein is a comparison of several test set-ups capable of testing panels under combined loads. Configurations compared include a D-box, a segmented cylinder and a single panel set-up. The study primarily focuses on the preliminary sizing of a single panel test configuration capable of testing flat panels under combined in-plane mechanical loads. This single panel set-up appears to be best suited to the testing of both strength critical and buckling critical panels. Required actuator loads and strokes are provided for various square, flat panels.

Lecture Notes on Criticality Safety Validation Using MCNP & Whisper

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

Brown, Forrest B.; Rising, Michael Evan; Alwin, Jennifer Louise

Training classes for nuclear criticality safety, MCNP documentation. The need for, and problems surrounding, validation of computer codes and data area considered first. Then some background for MCNP & Whisper is given--best practices for Monte Carlo criticality calculations, neutron spectra, S(α,β) thermal neutron scattering data, nuclear data sensitivities, covariance data, and correlation coefficients. Whisper is computational software designed to assist the nuclear criticality safety analyst with validation studies with the Monte Carlo radiation transport package MCNP. Whisper's methodology (benchmark selection – C k's, weights; extreme value theory – bias, bias uncertainty; MOS for nuclear data uncertainty – GLLS) and usagemore » are discussed.« less

The computation of all plane/surface intersections for CAD/CAM applications

NASA Technical Reports Server (NTRS)

Hoitsma, D. H., Jr.; Roche, M.

1984-01-01

The problem of the computation and display of all intersections of a given plane with a rational bicubic surface patch for use on an interactive CAD/CAM system is examined. The general problem of calculating all intersections of a plane and a surface consisting of rational bicubic patches is reduced to the case of a single generic patch by applying a rejection algorithm which excludes all patches that do not intersect the plane. For each pertinent patch the algorithm presented computed the intersection curves by locating an initial point on each curve, and computes successive points on the curve using a tolerance step equation. A single cubic equation solver is used to compute the initial curve points lying on the boundary of a surface patch, and the method of resultants as applied to curve theory is used to determine critical points which, in turn, are used to locate initial points that lie on intersection curves which are in the interior of the patch. Examples are given to illustrate the ability of this algorithm to produce all intersection curves.

Workarounds to computer access in healthcare organizations: you want my password or a dead patient?

PubMed

Koppel, Ross; Smith, Sean; Blythe, Jim; Kothari, Vijay

2015-01-01

Workarounds to computer access in healthcare are sufficiently common that they often go unnoticed. Clinicians focus on patient care, not cybersecurity. We argue and demonstrate that understanding workarounds to healthcare workers' computer access requires not only analyses of computer rules, but also interviews and observations with clinicians. In addition, we illustrate the value of shadowing clinicians and conducing focus groups to understand their motivations and tradeoffs for circumvention. Ethnographic investigation of the medical workplace emerges as a critical method of research because in the inevitable conflict between even well-intended people versus the machines, it's the people who are the more creative, flexible, and motivated. We conducted interviews and observations with hundreds of medical workers and with 19 cybersecurity experts, CIOs, CMIOs, CTO, and IT workers to obtain their perceptions of computer security. We also shadowed clinicians as they worked. We present dozens of ways workers ingeniously circumvent security rules. The clinicians we studied were not "black hat" hackers, but just professionals seeking to accomplish their work despite the security technologies and regulations.

Making Student Thinking Visible through a Concept Map in Computer-Based Assessment of Critical Thinking

ERIC Educational Resources Information Center

Rosen, Yigal; Tager, Maryam

2014-01-01

Major educational initiatives in the world place great emphasis on fostering rich computer-based environments of assessment that make student thinking and reasoning visible. Using thinking tools engages students in a variety of critical and complex thinking, such as evaluating, analyzing, and decision making. The aim of this study was to explore…

Interaction and Critical Inquiry in Asynchronous Computer-Mediated Conferencing: A Research Agenda

ERIC Educational Resources Information Center

Hopkins, Joseph; Gibson, Will; Ros i. Sole, Cristina; Savvides, Nicola; Starkey, Hugh

2008-01-01

This paper reviews research on learner and tutor interaction in asynchronous computer-mediated (ACM) conferences used in distance learning. The authors note claims made for the potential of ACM conferences to promote higher-order critical inquiry and the social construction of knowledge, and argue that there is a general lack of evidence regarding…