Generalized theoretical method for the interaction between arbitrary nonuniform electric field and molecular vibrations: Toward near-field infrared spectroscopy and microscopy

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

Iwasa, Takeshi, E-mail: tiwasa@mail.sci.hokudai.ac.jp; Takenaka, Masato; Taketsugu, Tetsuya

A theoretical method to compute infrared absorption spectra when a molecule is interacting with an arbitrary nonuniform electric field such as near-fields is developed and numerically applied to simple model systems. The method is based on the multipolar Hamiltonian where the light-matter interaction is described by a spatial integral of the inner product of the molecular polarization and applied electric field. The computation scheme is developed under the harmonic approximation for the molecular vibrations and the framework of modern electronic structure calculations such as the density functional theory. Infrared reflection absorption and near-field infrared absorption are considered as model systems.more » The obtained IR spectra successfully reflect the spatial structure of the applied electric field and corresponding vibrational modes, demonstrating applicability of the present method to analyze modern nanovibrational spectroscopy using near-fields. The present method can use arbitral electric fields and thus can integrate two fields such as computational chemistry and electromagnetics.« less

Generalized theoretical method for the interaction between arbitrary nonuniform electric field and molecular vibrations: Toward near-field infrared spectroscopy and microscopy.

PubMed

Iwasa, Takeshi; Takenaka, Masato; Taketsugu, Tetsuya

2016-03-28

A theoretical method to compute infrared absorption spectra when a molecule is interacting with an arbitrary nonuniform electric field such as near-fields is developed and numerically applied to simple model systems. The method is based on the multipolar Hamiltonian where the light-matter interaction is described by a spatial integral of the inner product of the molecular polarization and applied electric field. The computation scheme is developed under the harmonic approximation for the molecular vibrations and the framework of modern electronic structure calculations such as the density functional theory. Infrared reflection absorption and near-field infrared absorption are considered as model systems. The obtained IR spectra successfully reflect the spatial structure of the applied electric field and corresponding vibrational modes, demonstrating applicability of the present method to analyze modern nanovibrational spectroscopy using near-fields. The present method can use arbitral electric fields and thus can integrate two fields such as computational chemistry and electromagnetics.

A note on the computation of antenna-blocking shadows

NASA Technical Reports Server (NTRS)

Levy, R.

1993-01-01

A simple and readily applied method is provided to compute the shadow on the main reflector of a Cassegrain antenna, when cast by the subreflector and the subreflector supports. The method entails some convenient minor approximations that will produce results similar to results obtained with a lengthier, mainframe computer program.

A computational algorithm addressing how vessel length might depend on vessel diameter

Treesearch

Jing Cai; Shuoxin Zhang; Melvin T. Tyree

2010-01-01

The objective of this method paper was to examine a computational algorithm that may reveal how vessel length might depend on vessel diameter within any given stem or species. The computational method requires the assumption that vessels remain approximately constant in diameter over their entire length. When this method is applied to three species or hybrids in the...

Computing and Systems Applied in Support of Coordinated Energy, Environmental, and Climate Planning

EPA Science Inventory

This talk focuses on how Dr. Loughlin is applying Computing and Systems models, tools and methods to more fully understand the linkages among energy systems, environmental quality, and climate change. Dr. Loughlin will highlight recent and ongoing research activities, including: ...

Summary of research in applied mathematics, numerical analysis, and computer sciences

NASA Technical Reports Server (NTRS)

1986-01-01

The major categories of current ICASE research programs addressed include: numerical methods, with particular emphasis on the development and analysis of basic numerical algorithms; control and parameter identification problems, with emphasis on effective numerical methods; computational problems in engineering and physical sciences, particularly fluid dynamics, acoustics, and structural analysis; and computer systems and software, especially vector and parallel computers.

A Method for Identifying Contours in Processing Digital Images from Computer Tomograph

NASA Astrophysics Data System (ADS)

Roşu, Şerban; Pater, Flavius; Costea, Dan; Munteanu, Mihnea; Roşu, Doina; Fratila, Mihaela

2011-09-01

The first step in digital processing of two-dimensional computed tomography images is to identify the contour of component elements. This paper deals with the collective work of specialists in medicine and applied mathematics in computer science on elaborating new algorithms and methods in medical 2D and 3D imagery.

Enhanced Molecular Dynamics Methods Applied to Drug Design Projects.

PubMed

Ziada, Sonia; Braka, Abdennour; Diharce, Julien; Aci-Sèche, Samia; Bonnet, Pascal

2018-01-01

Nobel Laureate Richard P. Feynman stated: "[…] everything that living things do can be understood in terms of jiggling and wiggling of atoms […]." The importance of computer simulations of macromolecules, which use classical mechanics principles to describe atom behavior, is widely acknowledged and nowadays, they are applied in many fields such as material sciences and drug discovery. With the increase of computing power, molecular dynamics simulations can be applied to understand biological mechanisms at realistic timescales. In this chapter, we share our computational experience providing a global view of two of the widely used enhanced molecular dynamics methods to study protein structure and dynamics through the description of their characteristics, limits and we provide some examples of their applications in drug design. We also discuss the appropriate choice of software and hardware. In a detailed practical procedure, we describe how to set up, run, and analyze two main molecular dynamics methods, the umbrella sampling (US) and the accelerated molecular dynamics (aMD) methods.

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.

Computational flow development for unsteady viscous flows: Foundation of the numerical method

NASA Technical Reports Server (NTRS)

Bratanow, T.; Spehert, T.

1978-01-01

A procedure is presented for effective consideration of viscous effects in computational development of high Reynolds number flows. The procedure is based on the interpretation of the Navier-Stokes equations as vorticity transport equations. The physics of the flow was represented in a form suitable for numerical analysis. Lighthill's concept for flow development for computational purposes was adapted. The vorticity transport equations were cast in a form convenient for computation. A statement for these equations was written using the method of weighted residuals and applying the Galerkin criterion. An integral representation of the induced velocity was applied on the basis of the Biot-Savart law. Distribution of new vorticity, produced at wing surfaces over small computational time intervals, was assumed to be confined to a thin region around the wing surfaces.

Large-scale inverse model analyses employing fast randomized data reduction

NASA Astrophysics Data System (ADS)

Lin, Youzuo; Le, Ellen B.; O'Malley, Daniel; Vesselinov, Velimir V.; Bui-Thanh, Tan

2017-08-01

When the number of observations is large, it is computationally challenging to apply classical inverse modeling techniques. We have developed a new computationally efficient technique for solving inverse problems with a large number of observations (e.g., on the order of 107 or greater). Our method, which we call the randomized geostatistical approach (RGA), is built upon the principal component geostatistical approach (PCGA). We employ a data reduction technique combined with the PCGA to improve the computational efficiency and reduce the memory usage. Specifically, we employ a randomized numerical linear algebra technique based on a so-called "sketching" matrix to effectively reduce the dimension of the observations without losing the information content needed for the inverse analysis. In this way, the computational and memory costs for RGA scale with the information content rather than the size of the calibration data. Our algorithm is coded in Julia and implemented in the MADS open-source high-performance computational framework (http://mads.lanl.gov). We apply our new inverse modeling method to invert for a synthetic transmissivity field. Compared to a standard geostatistical approach (GA), our method is more efficient when the number of observations is large. Most importantly, our method is capable of solving larger inverse problems than the standard GA and PCGA approaches. Therefore, our new model inversion method is a powerful tool for solving large-scale inverse problems. The method can be applied in any field and is not limited to hydrogeological applications such as the characterization of aquifer heterogeneity.

A design automation framework for computational bioenergetics in biological networks.

PubMed

Angione, Claudio; Costanza, Jole; Carapezza, Giovanni; Lió, Pietro; Nicosia, Giuseppe

2013-10-01

The bioenergetic activity of mitochondria can be thoroughly investigated by using computational methods. In particular, in our work we focus on ATP and NADH, namely the metabolites representing the production of energy in the cell. We develop a computational framework to perform an exhaustive investigation at the level of species, reactions, genes and metabolic pathways. The framework integrates several methods implementing the state-of-the-art algorithms for many-objective optimization, sensitivity, and identifiability analysis applied to biological systems. We use this computational framework to analyze three case studies related to the human mitochondria and the algal metabolism of Chlamydomonas reinhardtii, formally described with algebraic differential equations or flux balance analysis. Integrating the results of our framework applied to interacting organelles would provide a general-purpose method for assessing the production of energy in a biological network.

Computing pKa Values in Different Solvents by Electrostatic Transformation.

PubMed

Rossini, Emanuele; Netz, Roland R; Knapp, Ernst-Walter

2016-07-12

We introduce a method that requires only moderate computational effort to compute pKa values of small molecules in different solvents with an average accuracy of better than 0.7 pH units. With a known pKa value in one solvent, the electrostatic transform method computes the pKa value in any other solvent if the proton solvation energy is known in both considered solvents. To apply the electrostatic transform method to a molecule, the electrostatic solvation energies of the protonated and deprotonated molecular species are computed in the two considered solvents using a dielectric continuum to describe the solvent. This is demonstrated for 30 molecules belonging to 10 different molecular families by considering 77 measured pKa values in 4 different solvents: water, acetonitrile, dimethyl sulfoxide, and methanol. The electrostatic transform method can be applied to any other solvent if the proton solvation energy is known. It is exclusively based on physicochemical principles, not using any empirical fetch factors or explicit solvent molecules, to obtain agreement with measured pKa values and is therefore ready to be generalized to other solute molecules and solvents. From the computed pKa values, we obtained relative proton solvation energies, which agree very well with the proton solvation energies computed recently by ab initio methods, and used these energies in the present study.

Efficient method for computing the electronic transport properties of a multiterminal system

NASA Astrophysics Data System (ADS)

Lima, Leandro R. F.; Dusko, Amintor; Lewenkopf, Caio

2018-04-01

We present a multiprobe recursive Green's function method to compute the transport properties of mesoscopic systems using the Landauer-Büttiker approach. By introducing an adaptive partition scheme, we map the multiprobe problem into the standard two-probe recursive Green's function method. We apply the method to compute the longitudinal and Hall resistances of a disordered graphene sample, a system of current interest. We show that the performance and accuracy of our method compares very well with other state-of-the-art schemes.

RPM-WEBBSYS: A web-based computer system to apply the rational polynomial method for estimating static formation temperatures of petroleum and geothermal wells

NASA Astrophysics Data System (ADS)

Wong-Loya, J. A.; Santoyo, E.; Andaverde, J. A.; Quiroz-Ruiz, A.

2015-12-01

A Web-Based Computer System (RPM-WEBBSYS) has been developed for the application of the Rational Polynomial Method (RPM) to estimate static formation temperatures (SFT) of geothermal and petroleum wells. The system is also capable to reproduce the full thermal recovery processes occurred during the well completion. RPM-WEBBSYS has been programmed using advances of the information technology to perform more efficiently computations of SFT. RPM-WEBBSYS may be friendly and rapidly executed by using any computing device (e.g., personal computers and portable computing devices such as tablets or smartphones) with Internet access and a web browser. The computer system was validated using bottomhole temperature (BHT) measurements logged in a synthetic heat transfer experiment, where a good matching between predicted and true SFT was achieved. RPM-WEBBSYS was finally applied to BHT logs collected from well drilling and shut-in operations, where the typical problems of the under- and over-estimation of the SFT (exhibited by most of the existing analytical methods) were effectively corrected.

Symposium on Parallel Computational Methods for Large-scale Structural Analysis and Design, 2nd, Norfolk, VA, US

NASA Technical Reports Server (NTRS)

Storaasli, Olaf O. (Editor); Housner, Jerrold M. (Editor)

1993-01-01

Computing speed is leaping forward by several orders of magnitude each decade. Engineers and scientists gathered at a NASA Langley symposium to discuss these exciting trends as they apply to parallel computational methods for large-scale structural analysis and design. Among the topics discussed were: large-scale static analysis; dynamic, transient, and thermal analysis; domain decomposition (substructuring); and nonlinear and numerical methods.

Efficient, graph-based white matter connectivity from orientation distribution functions via multi-directional graph propagation

NASA Astrophysics Data System (ADS)

Boucharin, Alexis; Oguz, Ipek; Vachet, Clement; Shi, Yundi; Sanchez, Mar; Styner, Martin

2011-03-01

The use of regional connectivity measurements derived from diffusion imaging datasets has become of considerable interest in the neuroimaging community in order to better understand cortical and subcortical white matter connectivity. Current connectivity assessment methods are based on streamline fiber tractography, usually applied in a Monte-Carlo fashion. In this work we present a novel, graph-based method that performs a fully deterministic, efficient and stable connectivity computation. The method handles crossing fibers and deals well with multiple seed regions. The computation is based on a multi-directional graph propagation method applied to sampled orientation distribution function (ODF), which can be computed directly from the original diffusion imaging data. We show early results of our method on synthetic and real datasets. The results illustrate the potential of our method towards subjectspecific connectivity measurements that are performed in an efficient, stable and reproducible manner. Such individual connectivity measurements would be well suited for application in population studies of neuropathology, such as Autism, Huntington's Disease, Multiple Sclerosis or leukodystrophies. The proposed method is generic and could easily be applied to non-diffusion data as long as local directional data can be derived.

Real-time emergency forecasting technique for situation management systems

NASA Astrophysics Data System (ADS)

Kopytov, V. V.; Kharechkin, P. V.; Naumenko, V. V.; Tretyak, R. S.; Tebueva, F. B.

2018-05-01

The article describes the real-time emergency forecasting technique that allows increasing accuracy and reliability of forecasting results of any emergency computational model applied for decision making in situation management systems. Computational models are improved by the Improved Brown’s method applying fractal dimension to forecast short time series data being received from sensors and control systems. Reliability of emergency forecasting results is ensured by the invalid sensed data filtering according to the methods of correlation analysis.

Frozen Gaussian approximation for 3D seismic tomography

NASA Astrophysics Data System (ADS)

Chai, Lihui; Tong, Ping; Yang, Xu

2018-05-01

Three-dimensional (3D) wave-equation-based seismic tomography is computationally challenging in large scales and high-frequency regime. In this paper, we apply the frozen Gaussian approximation (FGA) method to compute 3D sensitivity kernels and seismic tomography of high-frequency. Rather than standard ray theory used in seismic inversion (e.g. Kirchhoff migration and Gaussian beam migration), FGA is used to compute the 3D high-frequency sensitivity kernels for travel-time or full waveform inversions. Specifically, we reformulate the equations of the forward and adjoint wavefields for the purpose of convenience to apply FGA, and with this reformulation, one can efficiently compute the Green’s functions whose convolutions with source time function produce wavefields needed for the construction of 3D kernels. Moreover, a fast summation method is proposed based on local fast Fourier transform which greatly improves the speed of reconstruction as the last step of FGA algorithm. We apply FGA to both the travel-time adjoint tomography and full waveform inversion (FWI) on synthetic crosswell seismic data with dominant frequencies as high as those of real crosswell data, and confirm again that FWI requires a more sophisticated initial velocity model for the convergence than travel-time adjoint tomography. We also numerically test the accuracy of applying FGA to local earthquake tomography. This study paves the way to directly apply wave-equation-based seismic tomography methods into real data around their dominant frequencies.

DVS-SOFTWARE: An Effective Tool for Applying Highly Parallelized Hardware To Computational Geophysics

NASA Astrophysics Data System (ADS)

Herrera, I.; Herrera, G. S.

2015-12-01

Most geophysical systems are macroscopic physical systems. The behavior prediction of such systems is carried out by means of computational models whose basic models are partial differential equations (PDEs) [1]. Due to the enormous size of the discretized version of such PDEs it is necessary to apply highly parallelized super-computers. For them, at present, the most efficient software is based on non-overlapping domain decomposition methods (DDM). However, a limiting feature of the present state-of-the-art techniques is due to the kind of discretizations used in them. Recently, I. Herrera and co-workers using 'non-overlapping discretizations' have produced the DVS-Software which overcomes this limitation [2]. The DVS-software can be applied to a great variety of geophysical problems and achieves very high parallel efficiencies (90%, or so [3]). It is therefore very suitable for effectively applying the most advanced parallel supercomputers available at present. In a parallel talk, in this AGU Fall Meeting, Graciela Herrera Z. will present how this software is being applied to advance MOD-FLOW. Key Words: Parallel Software for Geophysics, High Performance Computing, HPC, Parallel Computing, Domain Decomposition Methods (DDM)REFERENCES [1]. Herrera Ismael and George F. Pinder, Mathematical Modelling in Science and Engineering: An axiomatic approach", John Wiley, 243p., 2012. [2]. Herrera, I., de la Cruz L.M. and Rosas-Medina A. "Non Overlapping Discretization Methods for Partial, Differential Equations". NUMER METH PART D E, 30: 1427-1454, 2014, DOI 10.1002/num 21852. (Open source) [3]. Herrera, I., & Contreras Iván "An Innovative Tool for Effectively Applying Highly Parallelized Software To Problems of Elasticity". Geofísica Internacional, 2015 (In press)

Unsteady Fast Random Particle Mesh method for efficient prediction of tonal and broadband noises of a centrifugal fan unit

NASA Astrophysics Data System (ADS)

Heo, Seung; Cheong, Cheolung; Kim, Taehoon

2015-09-01

In this study, efficient numerical method is proposed for predicting tonal and broadband noises of a centrifugal fan unit. The proposed method is based on Hybrid Computational Aero-Acoustic (H-CAA) techniques combined with Unsteady Fast Random Particle Mesh (U-FRPM) method. The U-FRPM method is developed by extending the FRPM method proposed by Ewert et al. and is utilized to synthesize turbulence flow field from unsteady RANS solutions. The H-CAA technique combined with U-FRPM method is applied to predict broadband as well as tonal noises of a centrifugal fan unit in a household refrigerator. Firstly, unsteady flow field driven by a rotating fan is computed by solving the RANS equations with Computational Fluid Dynamic (CFD) techniques. Main source regions around the rotating fan are identified by examining the computed flow fields. Then, turbulence flow fields in the main source regions are synthesized by applying the U-FRPM method. The acoustic analogy is applied to model acoustic sources in the main source regions. Finally, the centrifugal fan noise is predicted by feeding the modeled acoustic sources into an acoustic solver based on the Boundary Element Method (BEM). The sound spectral levels predicted using the current numerical method show good agreements with the measured spectra at the Blade Pass Frequencies (BPFs) as well as in the high frequency range. On the more, the present method enables quantitative assessment of relative contributions of identified source regions to the sound field by comparing predicted sound pressure spectrum due to modeled sources.

Multigrid optimal mass transport for image registration and morphing

NASA Astrophysics Data System (ADS)

Rehman, Tauseef ur; Tannenbaum, Allen

2007-02-01

In this paper we present a computationally efficient Optimal Mass Transport algorithm. This method is based on the Monge-Kantorovich theory and is used for computing elastic registration and warping maps in image registration and morphing applications. This is a parameter free method which utilizes all of the grayscale data in an image pair in a symmetric fashion. No landmarks need to be specified for correspondence. In our work, we demonstrate significant improvement in computation time when our algorithm is applied as compared to the originally proposed method by Haker et al [1]. The original algorithm was based on a gradient descent method for removing the curl from an initial mass preserving map regarded as 2D vector field. This involves inverting the Laplacian in each iteration which is now computed using full multigrid technique resulting in an improvement in computational time by a factor of two. Greater improvement is achieved by decimating the curl in a multi-resolutional framework. The algorithm was applied to 2D short axis cardiac MRI images and brain MRI images for testing and comparison.

Large-scale structural analysis: The structural analyst, the CSM Testbed and the NAS System

NASA Technical Reports Server (NTRS)

Knight, Norman F., Jr.; Mccleary, Susan L.; Macy, Steven C.; Aminpour, Mohammad A.

1989-01-01

The Computational Structural Mechanics (CSM) activity is developing advanced structural analysis and computational methods that exploit high-performance computers. Methods are developed in the framework of the CSM testbed software system and applied to representative complex structural analysis problems from the aerospace industry. An overview of the CSM testbed methods development environment is presented and some numerical methods developed on a CRAY-2 are described. Selected application studies performed on the NAS CRAY-2 are also summarized.

Simulating Quantile Models with Applications to Economics and Management

NASA Astrophysics Data System (ADS)

Machado, José A. F.

2010-05-01

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

Efficient hybrid-symbolic methods for quantum mechanical calculations

NASA Astrophysics Data System (ADS)

Scott, T. C.; Zhang, Wenxing

2015-06-01

We present hybrid symbolic-numerical tools to generate optimized numerical code for rapid prototyping and fast numerical computation starting from a computer algebra system (CAS) and tailored to any given quantum mechanical problem. Although a major focus concerns the quantum chemistry methods of H. Nakatsuji which has yielded successful and very accurate eigensolutions for small atoms and molecules, the tools are general and may be applied to any basis set calculation with a variational principle applied to its linear and non-linear parameters.

A general method for computing the total solar radiation force on complex spacecraft structures

NASA Technical Reports Server (NTRS)

Chan, F. K.

1981-01-01

The method circumvents many of the existing difficulties in computational logic presently encountered in the direct analytical or numerical evaluation of the appropriate surface integral. It may be applied to complex spacecraft structures for computing the total force arising from either specular or diffuse reflection or even from non-Lambertian reflection and re-radiation.

Parallel scalability and efficiency of vortex particle method for aeroelasticity analysis of bluff bodies

NASA Astrophysics Data System (ADS)

Tolba, Khaled Ibrahim; Morgenthal, Guido

2018-01-01

This paper presents an analysis of the scalability and efficiency of a simulation framework based on the vortex particle method. The code is applied for the numerical aerodynamic analysis of line-like structures. The numerical code runs on multicore CPU and GPU architectures using OpenCL framework. The focus of this paper is the analysis of the parallel efficiency and scalability of the method being applied to an engineering test case, specifically the aeroelastic response of a long-span bridge girder at the construction stage. The target is to assess the optimal configuration and the required computer architecture, such that it becomes feasible to efficiently utilise the method within the computational resources available for a regular engineering office. The simulations and the scalability analysis are performed on a regular gaming type computer.

Accelerating global optimization of aerodynamic shapes using a new surrogate-assisted parallel genetic algorithm

NASA Astrophysics Data System (ADS)

Ebrahimi, Mehdi; Jahangirian, Alireza

2017-12-01

An efficient strategy is presented for global shape optimization of wing sections with a parallel genetic algorithm. Several computational techniques are applied to increase the convergence rate and the efficiency of the method. A variable fidelity computational evaluation method is applied in which the expensive Navier-Stokes flow solver is complemented by an inexpensive multi-layer perceptron neural network for the objective function evaluations. A population dispersion method that consists of two phases, of exploration and refinement, is developed to improve the convergence rate and the robustness of the genetic algorithm. Owing to the nature of the optimization problem, a parallel framework based on the master/slave approach is used. The outcomes indicate that the method is able to find the global optimum with significantly lower computational time in comparison to the conventional genetic algorithm.

An efficient method to compute spurious end point contributions in PO solutions. [Physical Optics

NASA Technical Reports Server (NTRS)

Gupta, Inder J.; Burnside, Walter D.; Pistorius, Carl W. I.

1987-01-01

A method is given to compute the spurious endpoint contributions in the physical optics solution for electromagnetic scattering from conducting bodies. The method is applicable to general three-dimensional structures. The only information required to use the method is the radius of curvature of the body at the shadow boundary. Thus, the method is very efficient for numerical computations. As an illustration, the method is applied to several bodies of revolution to compute the endpoint contributions for backscattering in the case of axial incidence. It is shown that in high-frequency situations, the endpoint contributions obtained using the method are equal to the true endpoint contributions.

A RUTCOR Project on Discrete Applied Mathematics

DTIC Science & Technology

1989-01-30

the more important results of this work is the possibility that Groebner basis methods of computational commutative algebra might lead to effective...Billera, L.J., " Groebner Basis Methods for Multivariate Splines," prepared for the Proceedings of the Oslo Conference on Computer-aided Geometric Design

Elliptic Length Scales in Laminar, Two-Dimensional Supersonic Flows

DTIC Science & Technology

2015-06-01

sophisticated computational fluid dynamics ( CFD ) methods. Additionally, for 3D interactions, the length scales would require determination in spanwise as well...Manna, M. “Experimental, Analytical, and Computational Methods Applied to Hypersonic Compression Ramp Flows,” AIAA Journal, Vol. 32, No. 2, Feb. 1994

Developing a multimodal biometric authentication system using soft computing methods.

PubMed

Malcangi, Mario

2015-01-01

Robust personal authentication is becoming ever more important in computer-based applications. Among a variety of methods, biometric offers several advantages, mainly in embedded system applications. Hard and soft multi-biometric, combined with hard and soft computing methods, can be applied to improve the personal authentication process and to generalize the applicability. This chapter describes the embedded implementation of a multi-biometric (voiceprint and fingerprint) multimodal identification system based on hard computing methods (DSP) for feature extraction and matching, an artificial neural network (ANN) for soft feature pattern matching, and a fuzzy logic engine (FLE) for data fusion and decision.

Pressure algorithm for elliptic flow calculations with the PDF method

NASA Technical Reports Server (NTRS)

Anand, M. S.; Pope, S. B.; Mongia, H. C.

1991-01-01

An algorithm to determine the mean pressure field for elliptic flow calculations with the probability density function (PDF) method is developed and applied. The PDF method is a most promising approach for the computation of turbulent reacting flows. Previous computations of elliptic flows with the method were in conjunction with conventional finite volume based calculations that provided the mean pressure field. The algorithm developed and described here permits the mean pressure field to be determined within the PDF calculations. The PDF method incorporating the pressure algorithm is applied to the flow past a backward-facing step. The results are in good agreement with data for the reattachment length, mean velocities, and turbulence quantities including triple correlations.

A Modeling and Data Analysis of Laser Beam Propagation in the Maritime Domain

DTIC Science & Technology

2015-05-18

approach to computing pdfs is the Kernel Density Method (Reference [9] has an intro - duction to the method), which we will apply to compute the pdf of our...The project has two parts to it: 1) we present a computational analysis of different probability density function approximation techniques; and 2) we... computational analysis of different probability density function approximation techniques; and 2) we introduce preliminary steps towards developing a

Reconstruction method for fluorescent X-ray computed tomography by least-squares method using singular value decomposition

NASA Astrophysics Data System (ADS)

Yuasa, T.; Akiba, M.; Takeda, T.; Kazama, M.; Hoshino, A.; Watanabe, Y.; Hyodo, K.; Dilmanian, F. A.; Akatsuka, T.; Itai, Y.

1997-02-01

We describe a new attenuation correction method for fluorescent X-ray computed tomography (FXCT) applied to image nonradioactive contrast materials in vivo. The principle of the FXCT imaging is that of computed tomography of the first generation. Using monochromatized synchrotron radiation from the BLNE-5A bending-magnet beam line of Tristan Accumulation Ring in KEK, Japan, we studied phantoms with the FXCT method, and we succeeded in delineating a 4-mm-diameter channel filled with a 500 /spl mu/g I/ml iodine solution in a 20-mm-diameter acrylic cylindrical phantom. However, to detect smaller iodine concentrations, attenuation correction is needed. We present a correction method based on the equation representing the measurement process. The discretized equation system is solved by the least-squares method using the singular value decomposition. The attenuation correction method is applied to the projections by the Monte Carlo simulation and the experiment to confirm its effectiveness.

A Delphi Study on Technology Enhanced Learning (TEL) Applied on Computer Science (CS) Skills

ERIC Educational Resources Information Center

Porta, Marcela; Mas-Machuca, Marta; Martinez-Costa, Carme; Maillet, Katherine

2012-01-01

Technology Enhanced Learning (TEL) is a new pedagogical domain aiming to study the usage of information and communication technologies to support teaching and learning. The following study investigated how this domain is used to increase technical skills in Computer Science (CS). A Delphi method was applied, using three-rounds of online survey…

Lattice Boltzmann computation of creeping fluid flow in roll-coating applications

NASA Astrophysics Data System (ADS)

Rajan, Isac; Kesana, Balashanker; Perumal, D. Arumuga

2018-04-01

Lattice Boltzmann Method (LBM) has advanced as a class of Computational Fluid Dynamics (CFD) methods used to solve complex fluid systems and heat transfer problems. It has ever-increasingly attracted the interest of researchers in computational physics to solve challenging problems of industrial and academic importance. In this current study, LBM is applied to simulate the creeping fluid flow phenomena commonly encountered in manufacturing technologies. In particular, we apply this novel method to simulate the fluid flow phenomena associated with the "meniscus roll coating" application. This prevalent industrial problem encountered in polymer processing and thin film coating applications is modelled as standard lid-driven cavity problem to which creeping flow analysis is applied. This incompressible viscous flow problem is studied in various speed ratios, the ratio of upper to lower lid speed in two different configurations of lid movement - parallel and anti-parallel wall motion. The flow exhibits interesting patterns which will help in design of roll coaters.

Applying Mathematical Optimization Methods to an ACT-R Instance-Based Learning Model.

PubMed

Said, Nadia; Engelhart, Michael; Kirches, Christian; Körkel, Stefan; Holt, Daniel V

2016-01-01

Computational models of cognition provide an interface to connect advanced mathematical tools and methods to empirically supported theories of behavior in psychology, cognitive science, and neuroscience. In this article, we consider a computational model of instance-based learning, implemented in the ACT-R cognitive architecture. We propose an approach for obtaining mathematical reformulations of such cognitive models that improve their computational tractability. For the well-established Sugar Factory dynamic decision making task, we conduct a simulation study to analyze central model parameters. We show how mathematical optimization techniques can be applied to efficiently identify optimal parameter values with respect to different optimization goals. Beyond these methodological contributions, our analysis reveals the sensitivity of this particular task with respect to initial settings and yields new insights into how average human performance deviates from potential optimal performance. We conclude by discussing possible extensions of our approach as well as future steps towards applying more powerful derivative-based optimization methods.

Computer program CDCID: an automated quality control program using CDC update

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

Singer, G.L.; Aguilar, F.

1984-04-01

A computer program, CDCID, has been developed in coordination with a quality control program to provide a highly automated method of documenting changes to computer codes at EG and G Idaho, Inc. The method uses the standard CDC UPDATE program in such a manner that updates and their associated documentation are easily made and retrieved in various formats. The method allows each card image of a source program to point to the document which describes it, who created the card, and when it was created. The method described is applicable to the quality control of computer programs in general. Themore » computer program described is executable only on CDC computing systems, but the program could be modified and applied to any computing system with an adequate updating program.« less

Computational Electromagnetic Modeling of SansEC(Trade Mark) Sensors

NASA Technical Reports Server (NTRS)

Smith, Laura J.; Dudley, Kenneth L.; Szatkowski, George N.

2011-01-01

This paper describes the preliminary effort to apply computational design tools to aid in the development of an electromagnetic SansEC resonant sensor composite materials damage detection system. The computational methods and models employed on this research problem will evolve in complexity over time and will lead to the development of new computational methods and experimental sensor systems that demonstrate the capability to detect, diagnose, and monitor the damage of composite materials and structures on aerospace vehicles.

An Integrated Optimization Design Method Based on Surrogate Modeling Applied to Diverging Duct Design

NASA Astrophysics Data System (ADS)

Hanan, Lu; Qiushi, Li; Shaobin, Li

2016-12-01

This paper presents an integrated optimization design method in which uniform design, response surface methodology and genetic algorithm are used in combination. In detail, uniform design is used to select the experimental sampling points in the experimental domain and the system performance is evaluated by means of computational fluid dynamics to construct a database. After that, response surface methodology is employed to generate a surrogate mathematical model relating the optimization objective and the design variables. Subsequently, genetic algorithm is adopted and applied to the surrogate model to acquire the optimal solution in the case of satisfying some constraints. The method has been applied to the optimization design of an axisymmetric diverging duct, dealing with three design variables including one qualitative variable and two quantitative variables. The method of modeling and optimization design performs well in improving the duct aerodynamic performance and can be also applied to wider fields of mechanical design and seen as a useful tool for engineering designers, by reducing the design time and computation consumption.

5 CFR 531.607 - Computing hourly, daily, weekly, and biweekly locality rates.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 5 Administrative Personnel 1 2010-01-01 2010-01-01 false Computing hourly, daily, weekly, and... Computing hourly, daily, weekly, and biweekly locality rates. (a) Apply the following methods to convert an... firefighter whose pay is computed under 5 U.S.C. 5545b, a firefighter hourly locality rate is computed using a...

Quantification of histone modification ChIP-seq enrichment for data mining and machine learning applications

PubMed Central

2011-01-01

Background The advent of ChIP-seq technology has made the investigation of epigenetic regulatory networks a computationally tractable problem. Several groups have applied statistical computing methods to ChIP-seq datasets to gain insight into the epigenetic regulation of transcription. However, methods for estimating enrichment levels in ChIP-seq data for these computational studies are understudied and variable. Since the conclusions drawn from these data mining and machine learning applications strongly depend on the enrichment level inputs, a comparison of estimation methods with respect to the performance of statistical models should be made. Results Various methods were used to estimate the gene-wise ChIP-seq enrichment levels for 20 histone methylations and the histone variant H2A.Z. The Multivariate Adaptive Regression Splines (MARS) algorithm was applied for each estimation method using the estimation of enrichment levels as predictors and gene expression levels as responses. The methods used to estimate enrichment levels included tag counting and model-based methods that were applied to whole genes and specific gene regions. These methods were also applied to various sizes of estimation windows. The MARS model performance was assessed with the Generalized Cross-Validation Score (GCV). We determined that model-based methods of enrichment estimation that spatially weight enrichment based on average patterns provided an improvement over tag counting methods. Also, methods that included information across the entire gene body provided improvement over methods that focus on a specific sub-region of the gene (e.g., the 5' or 3' region). Conclusion The performance of data mining and machine learning methods when applied to histone modification ChIP-seq data can be improved by using data across the entire gene body, and incorporating the spatial distribution of enrichment. Refinement of enrichment estimation ultimately improved accuracy of model predictions. PMID:21834981

Methods for Computationally Efficient Structured CFD Simulations of Complex Turbomachinery Flows

NASA Technical Reports Server (NTRS)

Herrick, Gregory P.; Chen, Jen-Ping

2012-01-01

This research presents more efficient computational methods by which to perform multi-block structured Computational Fluid Dynamics (CFD) simulations of turbomachinery, thus facilitating higher-fidelity solutions of complicated geometries and their associated flows. This computational framework offers flexibility in allocating resources to balance process count and wall-clock computation time, while facilitating research interests of simulating axial compressor stall inception with more complete gridding of the flow passages and rotor tip clearance regions than is typically practiced with structured codes. The paradigm presented herein facilitates CFD simulation of previously impractical geometries and flows. These methods are validated and demonstrate improved computational efficiency when applied to complicated geometries and flows.

A SCILAB Program for Computing General-Relativistic Models of Rotating Neutron Stars by Implementing Hartle's Perturbation Method

NASA Astrophysics Data System (ADS)

Papasotiriou, P. J.; Geroyannis, V. S.

We implement Hartle's perturbation method to the computation of relativistic rigidly rotating neutron star models. The program has been written in SCILAB (© INRIA ENPC), a matrix-oriented high-level programming language. The numerical method is described in very detail and is applied to many models in slow or fast rotation. We show that, although the method is perturbative, it gives accurate results for all practical purposes and it should prove an efficient tool for computing rapidly rotating pulsars.

A systematic and efficient method to compute multi-loop master integrals

NASA Astrophysics Data System (ADS)

Liu, Xiao; Ma, Yan-Qing; Wang, Chen-Yu

2018-04-01

We propose a novel method to compute multi-loop master integrals by constructing and numerically solving a system of ordinary differential equations, with almost trivial boundary conditions. Thus it can be systematically applied to problems with arbitrary kinematic configurations. Numerical tests show that our method can not only achieve results with high precision, but also be much faster than the only existing systematic method sector decomposition. As a by product, we find a new strategy to compute scalar one-loop integrals without reducing them to master integrals.

CSM Testbed Development and Large-Scale Structural Applications

NASA Technical Reports Server (NTRS)

Knight, Norman F., Jr.; Gillian, R. E.; Mccleary, Susan L.; Lotts, C. G.; Poole, E. L.; Overman, A. L.; Macy, S. C.

1989-01-01

A research activity called Computational Structural Mechanics (CSM) conducted at the NASA Langley Research Center is described. This activity is developing advanced structural analysis and computational methods that exploit high-performance computers. Methods are developed in the framework of the CSM Testbed software system and applied to representative complex structural analysis problems from the aerospace industry. An overview of the CSM Testbed methods development environment is presented and some new numerical methods developed on a CRAY-2 are described. Selected application studies performed on the NAS CRAY-2 are also summarized.

Long-term Stable Conservative Multiscale Methods for Vortex Flows

DTIC Science & Technology

2017-10-31

Computational and Applied Mathematics and Engeneering, Eccomas 2016 (Crete, June, 2016) - M. A. Olshanskii, Scientific computing seminar of Math ...UMass Dartmouth (October 2015) - L. Rebholz, Applied Math Seminar Talk, University of Alberta (October 2015) - L. Rebholz, Colloquium Talk, Scientific...Colloquium, (November 2016) - L. Rebholz, Joint Math Meetings 2017, Special session on recent advances in numerical analysis of PDEs, Atlanta GA

Applied Linguistics Project: Student-Led Computer Assisted Research in High School EAL/EAP

ERIC Educational Resources Information Center

Bohát, Róbert; Rödlingová, Beata; Horáková, Nina

2015-01-01

The Applied Linguistics Project (ALP) started at the International School of Prague (ISP) in 2013. Every year, Grade 9 English as an Additional Language (EAL) students identify an area of learning in need of improvement and design a research method followed by data collection and analysis using basic computer software tools or online corpora.…

Path-Following Solutions Of Nonlinear Equations

NASA Technical Reports Server (NTRS)

Barger, Raymond L.; Walters, Robert W.

1989-01-01

Report describes some path-following techniques for solution of nonlinear equations and compares with other methods. Use of multipurpose techniques applicable at more than one stage of path-following computation results in system relatively simple to understand, program, and use. Comparison of techniques with method of parametric differentiation (MPD) reveals definite advantages for path-following methods. Emphasis in investigation on multiuse techniques being applied at more than one stage of path-following computation. Incorporation of multipurpose techniques results in concise computer code relatively simple to use.

Finite Element Methods for real-time Haptic Feedback of Soft-Tissue Models in Virtual Reality Simulators

NASA Technical Reports Server (NTRS)

Frank, Andreas O.; Twombly, I. Alexander; Barth, Timothy J.; Smith, Jeffrey D.; Dalton, Bonnie P. (Technical Monitor)

2001-01-01

We have applied the linear elastic finite element method to compute haptic force feedback and domain deformations of soft tissue models for use in virtual reality simulators. Our results show that, for virtual object models of high-resolution 3D data (>10,000 nodes), haptic real time computations (>500 Hz) are not currently possible using traditional methods. Current research efforts are focused in the following areas: 1) efficient implementation of fully adaptive multi-resolution methods and 2) multi-resolution methods with specialized basis functions to capture the singularity at the haptic interface (point loading). To achieve real time computations, we propose parallel processing of a Jacobi preconditioned conjugate gradient method applied to a reduced system of equations resulting from surface domain decomposition. This can effectively be achieved using reconfigurable computing systems such as field programmable gate arrays (FPGA), thereby providing a flexible solution that allows for new FPGA implementations as improved algorithms become available. The resulting soft tissue simulation system would meet NASA Virtual Glovebox requirements and, at the same time, provide a generalized simulation engine for any immersive environment application, such as biomedical/surgical procedures or interactive scientific applications.

Computational methods for constructing protein structure models from 3D electron microscopy maps.

PubMed

Esquivel-Rodríguez, Juan; Kihara, Daisuke

2013-10-01

Protein structure determination by cryo-electron microscopy (EM) has made significant progress in the past decades. Resolutions of EM maps have been improving as evidenced by recently reported structures that are solved at high resolutions close to 3Å. Computational methods play a key role in interpreting EM data. Among many computational procedures applied to an EM map to obtain protein structure information, in this article we focus on reviewing computational methods that model protein three-dimensional (3D) structures from a 3D EM density map that is constructed from two-dimensional (2D) maps. The computational methods we discuss range from de novo methods, which identify structural elements in an EM map, to structure fitting methods, where known high resolution structures are fit into a low-resolution EM map. A list of available computational tools is also provided. Copyright © 2013 Elsevier Inc. All rights reserved.

Computer-aided drug discovery.

PubMed

Bajorath, Jürgen

2015-01-01

Computational approaches are an integral part of interdisciplinary drug discovery research. Understanding the science behind computational tools, their opportunities, and limitations is essential to make a true impact on drug discovery at different levels. If applied in a scientifically meaningful way, computational methods improve the ability to identify and evaluate potential drug molecules, but there remain weaknesses in the methods that preclude naïve applications. Herein, current trends in computer-aided drug discovery are reviewed, and selected computational areas are discussed. Approaches are highlighted that aid in the identification and optimization of new drug candidates. Emphasis is put on the presentation and discussion of computational concepts and methods, rather than case studies or application examples. As such, this contribution aims to provide an overview of the current methodological spectrum of computational drug discovery for a broad audience.

EMRlog method for computer security for electronic medical records with logic and data mining.

PubMed

Martínez Monterrubio, Sergio Mauricio; Frausto Solis, Juan; Monroy Borja, Raúl

2015-01-01

The proper functioning of a hospital computer system is an arduous work for managers and staff. However, inconsistent policies are frequent and can produce enormous problems, such as stolen information, frequent failures, and loss of the entire or part of the hospital data. This paper presents a new method named EMRlog for computer security systems in hospitals. EMRlog is focused on two kinds of security policies: directive and implemented policies. Security policies are applied to computer systems that handle huge amounts of information such as databases, applications, and medical records. Firstly, a syntactic verification step is applied by using predicate logic. Then data mining techniques are used to detect which security policies have really been implemented by the computer systems staff. Subsequently, consistency is verified in both kinds of policies; in addition these subsets are contrasted and validated. This is performed by an automatic theorem prover. Thus, many kinds of vulnerabilities can be removed for achieving a safer computer system.

EMRlog Method for Computer Security for Electronic Medical Records with Logic and Data Mining

PubMed Central

Frausto Solis, Juan; Monroy Borja, Raúl

2015-01-01

The proper functioning of a hospital computer system is an arduous work for managers and staff. However, inconsistent policies are frequent and can produce enormous problems, such as stolen information, frequent failures, and loss of the entire or part of the hospital data. This paper presents a new method named EMRlog for computer security systems in hospitals. EMRlog is focused on two kinds of security policies: directive and implemented policies. Security policies are applied to computer systems that handle huge amounts of information such as databases, applications, and medical records. Firstly, a syntactic verification step is applied by using predicate logic. Then data mining techniques are used to detect which security policies have really been implemented by the computer systems staff. Subsequently, consistency is verified in both kinds of policies; in addition these subsets are contrasted and validated. This is performed by an automatic theorem prover. Thus, many kinds of vulnerabilities can be removed for achieving a safer computer system. PMID:26495300

Shape optimization of self-avoiding curves

NASA Astrophysics Data System (ADS)

Walker, Shawn W.

2016-04-01

This paper presents a softened notion of proximity (or self-avoidance) for curves. We then derive a sensitivity result, based on shape differential calculus, for the proximity. This is combined with a gradient-based optimization approach to compute three-dimensional, parameterized curves that minimize the sum of an elastic (bending) energy and a proximity energy that maintains self-avoidance by a penalization technique. Minimizers are computed by a sequential-quadratic-programming (SQP) method where the bending energy and proximity energy are approximated by a finite element method. We then apply this method to two problems. First, we simulate adsorbed polymer strands that are constrained to be bound to a surface and be (locally) inextensible. This is a basic model of semi-flexible polymers adsorbed onto a surface (a current topic in material science). Several examples of minimizing curve shapes on a variety of surfaces are shown. An advantage of the method is that it can be much faster than using molecular dynamics for simulating polymer strands on surfaces. Second, we apply our proximity penalization to the computation of ideal knots. We present a heuristic scheme, utilizing the SQP method above, for minimizing rope-length and apply it in the case of the trefoil knot. Applications of this method could be for generating good initial guesses to a more accurate (but expensive) knot-tightening algorithm.

A combined direct/inverse three-dimensional transonic wing design method for vector computers

NASA Technical Reports Server (NTRS)

Weed, R. A.; Carlson, L. A.; Anderson, W. K.

1984-01-01

A three-dimensional transonic-wing design algorithm for vector computers is developed, and the results of sample computations are presented graphically. The method incorporates the direct/inverse scheme of Carlson (1975), a Cartesian grid system with boundary conditions applied at a mean plane, and a potential-flow solver based on the conservative form of the full potential equation and using the ZEBRA II vectorizable solution algorithm of South et al. (1980). The accuracy and consistency of the method with regard to direct and inverse analysis and trailing-edge closure are verified in the test computations.

The computation of three-dimensional flows using unstructured grids

NASA Technical Reports Server (NTRS)

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

1991-01-01

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

Flow and Turbulence Modeling and Computation of Shock Buffet Onset for Conventional and Supercritical Airfoils

NASA Technical Reports Server (NTRS)

Bartels, Robert E.

1998-01-01

Flow and turbulence models applied to the problem of shock buffet onset are studied. The accuracy of the interactive boundary layer and the thin-layer Navier-Stokes equations solved with recent upwind techniques using similar transport field equation turbulence models is assessed for standard steady test cases, including conditions having significant shock separation. The two methods are found to compare well in the shock buffet onset region of a supercritical airfoil that involves strong trailing-edge separation. A computational analysis using the interactive-boundary layer has revealed a Reynolds scaling effect in the shock buffet onset of the supercritical airfoil, which compares well with experiment. The methods are next applied to a conventional airfoil. Steady shock-separated computations of the conventional airfoil with the two methods compare well with experiment. Although the interactive boundary layer computations in the shock buffet region compare well with experiment for the conventional airfoil, the thin-layer Navier-Stokes computations do not. These findings are discussed in connection with possible mechanisms important in the onset of shock buffet and the constraints imposed by current numerical modeling techniques.

Bayesian Treed Calibration: An Application to Carbon Capture With AX Sorbent

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

Konomi, Bledar A.; Karagiannis, Georgios; Lai, Kevin

2017-01-02

In cases where field or experimental measurements are not available, computer models can model real physical or engineering systems to reproduce their outcomes. They are usually calibrated in light of experimental data to create a better representation of the real system. Statistical methods, based on Gaussian processes, for calibration and prediction have been especially important when the computer models are expensive and experimental data limited. In this paper, we develop the Bayesian treed calibration (BTC) as an extension of standard Gaussian process calibration methods to deal with non-stationarity computer models and/or their discrepancy from the field (or experimental) data. Ourmore » proposed method partitions both the calibration and observable input space, based on a binary tree partitioning, into sub-regions where existing model calibration methods can be applied to connect a computer model with the real system. The estimation of the parameters in the proposed model is carried out using Markov chain Monte Carlo (MCMC) computational techniques. Different strategies have been applied to improve mixing. We illustrate our method in two artificial examples and a real application that concerns the capture of carbon dioxide with AX amine based sorbents. The source code and the examples analyzed in this paper are available as part of the supplementary materials.« less

Applying Human Computation Methods to Information Science

ERIC Educational Resources Information Center

Harris, Christopher Glenn

2013-01-01

Human Computation methods such as crowdsourcing and games with a purpose (GWAP) have each recently drawn considerable attention for their ability to synergize the strengths of people and technology to accomplish tasks that are challenging for either to do well alone. Despite this increased attention, much of this transformation has been focused on…

26 CFR 1.9001-1 - Change from retirement to straight-line method of computing depreciation.

Code of Federal Regulations, 2010 CFR

2010-04-01

..., DEPARTMENT OF THE TREASURY (CONTINUED) INCOME TAX (CONTINUED) INCOME TAXES General Actuarial Valuations § 1.9001-1 Change from retirement to straight-line method of computing depreciation. (a) In general. The... irrevocable election to have the provisions of the Retirement-Straight Line Adjustment Act of 1958 apply. This...

A Brain-Computer Interface Project Applied in Computer Engineering

ERIC Educational Resources Information Center

Katona, Jozsef; Kovari, Attila

2016-01-01

Keeping up with novel methods and keeping abreast of new applications are crucial issues in engineering education. In brain research, one of the most significant research areas in recent decades, many developments have application in both modern engineering technology and education. New measurement methods in the observation of brain activity open…

Inverse targeting —An effective immunization strategy

NASA Astrophysics Data System (ADS)

Schneider, C. M.; Mihaljev, T.; Herrmann, H. J.

2012-05-01

We propose a new method to immunize populations or computer networks against epidemics which is more efficient than any continuous immunization method considered before. The novelty of our method resides in the way of determining the immunization targets. First we identify those individuals or computers that contribute the least to the disease spreading measured through their contribution to the size of the largest connected cluster in the social or a computer network. The immunization process follows the list of identified individuals or computers in inverse order, immunizing first those which are most relevant for the epidemic spreading. We have applied our immunization strategy to several model networks and two real networks, the Internet and the collaboration network of high-energy physicists. We find that our new immunization strategy is in the case of model networks up to 14%, and for real networks up to 33% more efficient than immunizing dynamically the most connected nodes in a network. Our strategy is also numerically efficient and can therefore be applied to large systems.

Superresolution radar imaging based on fast inverse-free sparse Bayesian learning for multiple measurement vectors

NASA Astrophysics Data System (ADS)

He, Xingyu; Tong, Ningning; Hu, Xiaowei

2018-01-01

Compressive sensing has been successfully applied to inverse synthetic aperture radar (ISAR) imaging of moving targets. By exploiting the block sparse structure of the target image, sparse solution for multiple measurement vectors (MMV) can be applied in ISAR imaging and a substantial performance improvement can be achieved. As an effective sparse recovery method, sparse Bayesian learning (SBL) for MMV involves a matrix inverse at each iteration. Its associated computational complexity grows significantly with the problem size. To address this problem, we develop a fast inverse-free (IF) SBL method for MMV. A relaxed evidence lower bound (ELBO), which is computationally more amiable than the traditional ELBO used by SBL, is obtained by invoking fundamental property for smooth functions. A variational expectation-maximization scheme is then employed to maximize the relaxed ELBO, and a computationally efficient IF-MSBL algorithm is proposed. Numerical results based on simulated and real data show that the proposed method can reconstruct row sparse signal accurately and obtain clear superresolution ISAR images. Moreover, the running time and computational complexity are reduced to a great extent compared with traditional SBL methods.

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

NASA Astrophysics Data System (ADS)

Senegačnik, Jure; Tavčar, Gregor; Katrašnik, Tomaž

2015-03-01

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

Two pass method and radiation interchange processing when applied to thermal-structural analysis of large space truss structures

NASA Technical Reports Server (NTRS)

Warren, Andrew H.; Arelt, Joseph E.; Lalicata, Anthony L.; Rogers, Karen M.

1993-01-01

A method of efficient and automated thermal-structural processing of very large space structures is presented. The method interfaces the finite element and finite difference techniques. It also results in a pronounced reduction of the quantity of computations, computer resources and manpower required for the task, while assuring the desired accuracy of the results.

Selected papers in the applied computer sciences 1992

USGS Publications Warehouse

Wiltshire, Denise A.

1992-01-01

This compilation of short papers reports on technical advances in the applied computer sciences. The papers describe computer applications in support of earth science investigations and research. This is the third volume in the series "Selected Papers in the Applied Computer Sciences." Listed below are the topics addressed in the compilation:Integration of geographic information systems and expert systems for resource management,Visualization of topography using digital image processing,Development of a ground-water data base for the southeastern Uited States using a geographic information system,Integration and aggregation of stream-drainage data using a geographic information system,Procedures used in production of digital geologic coverage using compact disc read-only memory (CD-ROM) technology, andAutomated methods for producing a technical publication on estimated water use in the United States.

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

Analysis of iterative region-of-interest image reconstruction for x-ray computed tomography

PubMed Central

Sidky, Emil Y.; Kraemer, David N.; Roth, Erin G.; Ullberg, Christer; Reiser, Ingrid S.; Pan, Xiaochuan

2014-01-01

Abstract. One of the challenges for iterative image reconstruction (IIR) is that such algorithms solve an imaging model implicitly, requiring a complete representation of the scanned subject within the viewing domain of the scanner. This requirement can place a prohibitively high computational burden for IIR applied to x-ray computed tomography (CT), especially when high-resolution tomographic volumes are required. In this work, we aim to develop an IIR algorithm for direct region-of-interest (ROI) image reconstruction. The proposed class of IIR algorithms is based on an optimization problem that incorporates a data fidelity term, which compares a derivative of the estimated data with the available projection data. In order to characterize this optimization problem, we apply it to computer-simulated two-dimensional fan-beam CT data, using both ideal noiseless data and realistic data containing a level of noise comparable to that of the breast CT application. The proposed method is demonstrated for both complete field-of-view and ROI imaging. To demonstrate the potential utility of the proposed ROI imaging method, it is applied to actual CT scanner data. PMID:25685824

Analysis of iterative region-of-interest image reconstruction for x-ray computed tomography.

PubMed

Sidky, Emil Y; Kraemer, David N; Roth, Erin G; Ullberg, Christer; Reiser, Ingrid S; Pan, Xiaochuan

2014-10-03

One of the challenges for iterative image reconstruction (IIR) is that such algorithms solve an imaging model implicitly, requiring a complete representation of the scanned subject within the viewing domain of the scanner. This requirement can place a prohibitively high computational burden for IIR applied to x-ray computed tomography (CT), especially when high-resolution tomographic volumes are required. In this work, we aim to develop an IIR algorithm for direct region-of-interest (ROI) image reconstruction. The proposed class of IIR algorithms is based on an optimization problem that incorporates a data fidelity term, which compares a derivative of the estimated data with the available projection data. In order to characterize this optimization problem, we apply it to computer-simulated two-dimensional fan-beam CT data, using both ideal noiseless data and realistic data containing a level of noise comparable to that of the breast CT application. The proposed method is demonstrated for both complete field-of-view and ROI imaging. To demonstrate the potential utility of the proposed ROI imaging method, it is applied to actual CT scanner data.

15 CFR 904.4 - Computation of time periods.

Code of Federal Regulations, 2010 CFR

2010-01-01

...) NATIONAL OCEANIC AND ATMOSPHERIC ADMINISTRATION, DEPARTMENT OF COMMERCE GENERAL REGULATIONS CIVIL PROCEDURES General § 904.4 Computation of time periods. For a NOVA, NOPS or NIDP, the 30 day response period... business day. This method of computing time periods also applies to any act, such as paying a civil penalty...

15 CFR 904.4 - Computation of time periods.

Code of Federal Regulations, 2011 CFR

2011-01-01

...) NATIONAL OCEANIC AND ATMOSPHERIC ADMINISTRATION, DEPARTMENT OF COMMERCE GENERAL REGULATIONS CIVIL PROCEDURES General § 904.4 Computation of time periods. For a NOVA, NOPS or NIDP, the 30 day response period... business day. This method of computing time periods also applies to any act, such as paying a civil penalty...

Eyetracking Methodology in SCMC: A Tool for Empowering Learning and Teaching

ERIC Educational Resources Information Center

Stickler, Ursula; Shi, Lijing

2017-01-01

Computer-assisted language learning, or CALL, is an interdisciplinary area of research, positioned between science and social science, computing and education, linguistics and applied linguistics. This paper argues that by appropriating methods originating in some areas of CALL-related research, for example human-computer interaction (HCI) or…

Students' Attitudes towards Control Methods in Computer-Assisted Instruction.

ERIC Educational Resources Information Center

Hintze, Hanne; And Others

1988-01-01

Describes study designed to investigate dental students' attitudes toward computer-assisted teaching as applied in programs for oral radiology in Denmark. Programs using personal computers and slide projectors with varying degrees of learner and teacher control are described, and differences in attitudes between male and female students are…

Stability and error estimation for Component Adaptive Grid methods

NASA Technical Reports Server (NTRS)

Oliger, Joseph; Zhu, Xiaolei

1994-01-01

Component adaptive grid (CAG) methods for solving hyperbolic partial differential equations (PDE's) are discussed in this paper. Applying recent stability results for a class of numerical methods on uniform grids. The convergence of these methods for linear problems on component adaptive grids is established here. Furthermore, the computational error can be estimated on CAG's using the stability results. Using these estimates, the error can be controlled on CAG's. Thus, the solution can be computed efficiently on CAG's within a given error tolerance. Computational results for time dependent linear problems in one and two space dimensions are presented.

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

Quon, Eliot; Platt, Andrew; Yu, Yi-Hsiang

Extreme loads are often a key cost driver for wave energy converters (WECs). As an alternative to exhaustive Monte Carlo or long-term simulations, the most likely extreme response (MLER) method allows mid- and high-fidelity simulations to be used more efficiently in evaluating WEC response to events at the edges of the design envelope, and is therefore applicable to system design analysis. The study discussed in this paper applies the MLER method to investigate the maximum heave, pitch, and surge force of a point absorber WEC. Most likely extreme waves were obtained from a set of wave statistics data based onmore » spectral analysis and the response amplitude operators (RAOs) of the floating body; the RAOs were computed from a simple radiation-and-diffraction-theory-based numerical model. A weakly nonlinear numerical method and a computational fluid dynamics (CFD) method were then applied to compute the short-term response to the MLER wave. Effects of nonlinear wave and floating body interaction on the WEC under the anticipated 100-year waves were examined by comparing the results from the linearly superimposed RAOs, the weakly nonlinear model, and CFD simulations. Overall, the MLER method was successfully applied. In particular, when coupled to a high-fidelity CFD analysis, the nonlinear fluid dynamics can be readily captured.« less

A New Dual-purpose Quality Control Dosimetry Protocol for Diagnostic Reference-level Determination in Computed Tomography.

PubMed

Sohrabi, Mehdi; Parsi, Masoumeh; Sina, Sedigheh

2018-05-17

A diagnostic reference level is an advisory dose level set by a regulatory authority in a country as an efficient criterion for protection of patients from unwanted medical exposure. In computed tomography, the direct dose measurement and data collection methods are commonly applied for determination of diagnostic reference levels. Recently, a new quality-control-based dose survey method was proposed by the authors to simplify the diagnostic reference-level determination using a retrospective quality control database usually available at a regulatory authority in a country. In line with such a development, a prospective dual-purpose quality control dosimetry protocol is proposed for determination of diagnostic reference levels in a country, which can be simply applied by quality control service providers. This new proposed method was applied to five computed tomography scanners in Shiraz, Iran, and diagnostic reference levels for head, abdomen/pelvis, sinus, chest, and lumbar spine examinations were determined. The results were compared to those obtained by the data collection and quality-control-based dose survey methods, carried out in parallel in this study, and were found to agree well within approximately 6%. This is highly acceptable for quality-control-based methods according to International Atomic Energy Agency tolerance levels (±20%).

Using block pulse functions for seismic vibration semi-active control of structures with MR dampers

NASA Astrophysics Data System (ADS)

Rahimi Gendeshmin, Saeed; Davarnia, Daniel

2018-03-01

This article applied the idea of block pulse functions in the semi-active control of structures. The BP functions give effective tools to approximate complex problems. The applied control algorithm has a major effect on the performance of the controlled system and the requirements of the control devices. In control problems, it is important to devise an accurate analytical technique with less computational cost. It is proved that the BP functions are fundamental tools in approximation problems which have been applied in disparate areas in last decades. This study focuses on the employment of BP functions in control algorithm concerning reduction the computational cost. Magneto-rheological (MR) dampers are one of the well-known semi-active tools that can be used to control the response of civil Structures during earthquake. For validation purposes, numerical simulations of a 5-story shear building frame with MR dampers are presented. The results of suggested method were compared with results obtained by controlling the frame by the optimal control method based on linear quadratic regulator theory. It can be seen from simulation results that the suggested method can be helpful in reducing seismic structural responses. Besides, this method has acceptable accuracy and is in agreement with optimal control method with less computational costs.

A comparative study of Conroy and Monte Carlo methods applied to multiple quadratures and multiple scattering

NASA Technical Reports Server (NTRS)

Deepak, A.; Fluellen, A.

1978-01-01

An efficient numerical method of multiple quadratures, the Conroy method, is applied to the problem of computing multiple scattering contributions in the radiative transfer through realistic planetary atmospheres. A brief error analysis of the method is given and comparisons are drawn with the more familiar Monte Carlo method. Both methods are stochastic problem-solving models of a physical or mathematical process and utilize the sampling scheme for points distributed over a definite region. In the Monte Carlo scheme the sample points are distributed randomly over the integration region. In the Conroy method, the sample points are distributed systematically, such that the point distribution forms a unique, closed, symmetrical pattern which effectively fills the region of the multidimensional integration. The methods are illustrated by two simple examples: one, of multidimensional integration involving two independent variables, and the other, of computing the second order scattering contribution to the sky radiance.

Modeling compressible multiphase flows with dispersed particles in both dense and dilute regimes

NASA Astrophysics Data System (ADS)

McGrath, T.; St. Clair, J.; Balachandar, S.

2018-05-01

Many important explosives and energetics applications involve multiphase formulations employing dispersed particles. While considerable progress has been made toward developing mathematical models and computational methodologies for these flows, significant challenges remain. In this work, we apply a mathematical model for compressible multiphase flows with dispersed particles to existing shock and explosive dispersal problems from the literature. The model is cast in an Eulerian framework, treats all phases as compressible, is hyperbolic, and satisfies the second law of thermodynamics. It directly applies the continuous-phase pressure gradient as a forcing function for particle acceleration and thereby retains relaxed characteristics for the dispersed particle phase that remove the constituent material sound velocity from the eigenvalues. This is consistent with the expected characteristics of dispersed particle phases and can significantly improve the stable time-step size for explicit methods. The model is applied to test cases involving the shock and explosive dispersal of solid particles and compared to data from the literature. Computed results compare well with experimental measurements, providing confidence in the model and computational methods applied.

A Novel College Network Resource Management Method using Cloud Computing

NASA Astrophysics Data System (ADS)

Lin, Chen

At present information construction of college mainly has construction of college networks and management information system; there are many problems during the process of information. Cloud computing is development of distributed processing, parallel processing and grid computing, which make data stored on the cloud, make software and services placed in the cloud and build on top of various standards and protocols, you can get it through all kinds of equipments. This article introduces cloud computing and function of cloud computing, then analyzes the exiting problems of college network resource management, the cloud computing technology and methods are applied in the construction of college information sharing platform.

Inverse kinematics of a dual linear actuator pitch/roll heliostat

NASA Astrophysics Data System (ADS)

Freeman, Joshua; Shankar, Balakrishnan; Sundaram, Ganesh

2017-06-01

This work presents a simple, computationally efficient inverse kinematics solution for a pitch/roll heliostat using two linear actuators. The heliostat design and kinematics have been developed, modeled and tested using computer simulation software. A physical heliostat prototype was fabricated to validate the theoretical computations and data. Pitch/roll heliostats have numerous advantages including reduced cost potential and reduced space requirements, with a primary disadvantage being the significantly more complicated kinematics, which are solved here. Novel methods are applied to simplify the inverse kinematics problem which could be applied to other similar problems.

Electrochemical impedance spectroscopy system and methods for determining spatial locations of defects

DOEpatents

Glenn, David F.; Matthern, Gretchen E.; Propp, W. Alan; Glenn, Anne W.; Shaw, Peter G.

2006-08-08

A method and apparatus for determining spatial locations of defects in a material are described. The method includes providing a plurality of electrodes in contact with a material, applying a sinusoidal voltage to a select number of the electrodes at a predetermined frequency, determining gain and phase angle measurements at other of the electrodes in response to applying the sinusoidal voltage to the select number of electrodes, determining impedance values from the gain and phase angle measurements, computing an impedance spectrum for an area of the material from the determined impedance values, and comparing the computed impedance spectrum with a known impedance spectrum to identify spatial locations of defects in the material.

Forward calculation of gravity and its gradient using polyhedral representation of density interfaces: an application of spherical or ellipsoidal topographic gravity effect

NASA Astrophysics Data System (ADS)

Zhang, Yi; Chen, Chao

2018-02-01

A density interface modeling method using polyhedral representation is proposed to construct 3-D models of spherical or ellipsoidal interfaces such as the terrain surface of the Earth and applied to forward calculating gravity effect of topography and bathymetry for regional or global applications. The method utilizes triangular facets to fit undulation of the target interface. The model maintains almost equal accuracy and resolution at different locations of the globe. Meanwhile, the exterior gravitational field of the model, including its gravity and gravity gradients, is obtained simultaneously using analytic solutions. Additionally, considering the effect of distant relief, an adaptive computation process is introduced to reduce the computational burden. Then features and errors of the method are analyzed. Subsequently, the method is applied to an area for the ellipsoidal Bouguer shell correction as an example and the result is compared to existing methods, which shows our method provides high accuracy and great computational efficiency. Suggestions for further developments and conclusions are drawn at last.

HOPI: on-line injection optimization program

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

LeMaire, J L

1977-10-26

A method of matching the beam from the 200 MeV linac to the AGS without the necessity of making emittance measurements is presented. An on-line computer program written on the PDP10 computer performs the matching by modifying independently the horizontal and vertical emittance. Experimental results show success with this method, which can be applied to any matching section.

A Model for Minimizing Numeric Function Generator Complexity and Delay

DTIC Science & Technology

2007-12-01

allow computation of difficult mathematical functions in less time and with less hardware than commonly employed methods. They compute piecewise...Programmable Gate Arrays (FPGAs). The algorithms and estimation techniques apply to various NFG architectures and mathematical functions. This...thesis compares hardware utilization and propagation delay for various NFG architectures, mathematical functions, word widths, and segmentation methods

Fractal Analysis of Rock Joint Profiles

NASA Astrophysics Data System (ADS)

Audy, Ondřej; Ficker, Tomáš

2017-10-01

Surface reliefs of rock joints are analyzed in geotechnics when shear strength of rocky slopes is estimated. The rock joint profiles actually are self-affine fractal curves and computations of their fractal dimensions require special methods. Many papers devoted to the fractal properties of these profiles were published in the past but only a few of those papers employed a convenient computational method that would have guaranteed a sound value of that dimension. As a consequence, anomalously low dimensions were presented. This contribution deals with two computational modifications that lead to sound fractal dimensions of the self-affine rock joint profiles. These are the modified box-counting method and the modified yard-stick method sometimes called the compass method. Both these methods are frequently applied to self-similar fractal curves but the self-affine profile curves due to their self-affine nature require modified computational procedures implemented in computer programs.

Waveform inversion with source encoding for breast sound speed reconstruction in ultrasound computed tomography.

PubMed

Wang, Kun; Matthews, Thomas; Anis, Fatima; Li, Cuiping; Duric, Neb; Anastasio, Mark A

2015-03-01

Ultrasound computed tomography (USCT) holds great promise for improving the detection and management of breast cancer. Because they are based on the acoustic wave equation, waveform inversion-based reconstruction methods can produce images that possess improved spatial resolution properties over those produced by ray-based methods. However, waveform inversion methods are computationally demanding and have not been applied widely in USCT breast imaging. In this work, source encoding concepts are employed to develop an accelerated USCT reconstruction method that circumvents the large computational burden of conventional waveform inversion methods. This method, referred to as the waveform inversion with source encoding (WISE) method, encodes the measurement data using a random encoding vector and determines an estimate of the sound speed distribution by solving a stochastic optimization problem by use of a stochastic gradient descent algorithm. Both computer simulation and experimental phantom studies are conducted to demonstrate the use of the WISE method. The results suggest that the WISE method maintains the high spatial resolution of waveform inversion methods while significantly reducing the computational burden.

Earth Science Informatics Comes of Age

NASA Technical Reports Server (NTRS)

Jodha, Siri; Khalsa, S.; Ramachandran, Rahul

2014-01-01

The volume and complexity of Earth science data have steadily increased, placing ever-greater demands on researchers, software developers and data managers tasked with handling such data. Additional demands arise from requirements being levied by funding agencies and governments to better manage, preserve and provide open access to data. Fortunately, over the past 10-15 years significant advances in information technology, such as increased processing power, advanced programming languages, more sophisticated and practical standards, and near-ubiquitous internet access have made the jobs of those acquiring, processing, distributing and archiving data easier. These advances have also led to an increasing number of individuals entering the field of informatics as it applies to Geoscience and Remote Sensing. Informatics is the science and technology of applying computers and computational methods to the systematic analysis, management, interchange, and representation of data, information, and knowledge. Informatics also encompasses the use of computers and computational methods to support decisionmaking and other applications for societal benefits.

Experimental and computational flow-field results for an all-body hypersonic aircraft

NASA Technical Reports Server (NTRS)

Cleary, Joseph W.

1989-01-01

A comprehensive test program is defined which is being implemented in the NASA/Ames 3.5 foot Hypersonic Wind Tunnel for obtaining data on a generic all-body hypersonic vehicle for computational fluid dynamics (CFD) code validation. Computational methods (approximate inviscid methods and an upwind parabolized Navier-Stokes code) currently being applied to the all-body model are outlined. Experimental and computational results on surface pressure distributions and Pitot-pressure surveys for the basic sharp-nose model (without control surfaces) at a free-stream Mach number of 7 are presented.

Discovery and Development of ATP-Competitive mTOR Inhibitors Using Computational Approaches.

PubMed

Luo, Yao; Wang, Ling

2017-11-16

The mammalian target of rapamycin (mTOR) is a central controller of cell growth, proliferation, metabolism, and angiogenesis. This protein is an attractive target for new anticancer drug development. Significant progress has been made in hit discovery, lead optimization, drug candidate development and determination of the three-dimensional (3D) structure of mTOR. Computational methods have been applied to accelerate the discovery and development of mTOR inhibitors helping to model the structure of mTOR, screen compound databases, uncover structure-activity relationship (SAR) and optimize the hits, mine the privileged fragments and design focused libraries. Besides, computational approaches were also applied to study protein-ligand interactions mechanisms and in natural product-driven drug discovery. Herein, we survey the most recent progress on the application of computational approaches to advance the discovery and development of compounds targeting mTOR. Future directions in the discovery of new mTOR inhibitors using computational methods are also discussed. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

A GPU-accelerated implicit meshless method for compressible flows

NASA Astrophysics Data System (ADS)

Zhang, Jia-Le; Ma, Zhi-Hua; Chen, Hong-Quan; Cao, Cheng

2018-05-01

This paper develops a recently proposed GPU based two-dimensional explicit meshless method (Ma et al., 2014) by devising and implementing an efficient parallel LU-SGS implicit algorithm to further improve the computational efficiency. The capability of the original 2D meshless code is extended to deal with 3D complex compressible flow problems. To resolve the inherent data dependency of the standard LU-SGS method, which causes thread-racing conditions destabilizing numerical computation, a generic rainbow coloring method is presented and applied to organize the computational points into different groups by painting neighboring points with different colors. The original LU-SGS method is modified and parallelized accordingly to perform calculations in a color-by-color manner. The CUDA Fortran programming model is employed to develop the key kernel functions to apply boundary conditions, calculate time steps, evaluate residuals as well as advance and update the solution in the temporal space. A series of two- and three-dimensional test cases including compressible flows over single- and multi-element airfoils and a M6 wing are carried out to verify the developed code. The obtained solutions agree well with experimental data and other computational results reported in the literature. Detailed analysis on the performance of the developed code reveals that the developed CPU based implicit meshless method is at least four to eight times faster than its explicit counterpart. The computational efficiency of the implicit method could be further improved by ten to fifteen times on the GPU.

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

NASA Astrophysics Data System (ADS)

Raghupathy, Arun; Ghia, Karman; Ghia, Urmila

2008-11-01

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

A STUDY OF PREDICTED BONE MARROW DISTRIBUTION ON CALCULATED MARROW DOSE FROM EXTERNAL RADIATION EXPOSURES USING TWO SETS OF IMAGE DATA FOR THE SAME INDIVIDUAL

PubMed Central

Caracappa, Peter F.; Chao, T. C. Ephraim; Xu, X. George

2010-01-01

Red bone marrow is among the tissues of the human body that are most sensitive to ionizing radiation, but red bone marrow cannot be distinguished from yellow bone marrow by normal radiographic means. When using a computational model of the body constructed from computed tomography (CT) images for radiation dose, assumptions must be applied to calculate the dose to the red bone marrow. This paper presents an analysis of two methods of calculating red bone marrow distribution: 1) a homogeneous mixture of red and yellow bone marrow throughout the skeleton, and 2) International Commission on Radiological Protection cellularity factors applied to each bone segment. A computational dose model was constructed from the CT image set of the Visible Human Project and compared to the VIP-Man model, which was derived from color photographs of the same individual. These two data sets for the same individual provide the unique opportunity to compare the methods applied to the CT-based model against the observed distribution of red bone marrow for that individual. The mass of red bone marrow in each bone segment was calculated using both methods. The effect of the different red bone marrow distributions was analyzed by calculating the red bone marrow dose using the EGS4 Monte Carlo code for parallel beams of monoenergetic photons over an energy range of 30 keV to 6 MeV, cylindrical (simplified CT) sources centered about the head and abdomen over an energy range of 30 keV to 1 MeV, and a whole-body electron irradiation treatment protocol for 3.9 MeV electrons. Applying the method with cellularity factors improves the average difference in the estimation of mass in each bone segment as compared to the mass in VIP-Man by 45% over the homogenous mixture method. Red bone marrow doses calculated by the two methods are similar for parallel photon beams at high energy (above about 200 keV), but differ by as much as 40% at lower energies. The calculated red bone marrow doses differ significantly for simplified CT and electron beam irradiation, since the computed red bone marrow dose is a strong function of the cellularity factor applied to bone segments within the primary radiation beam. These results demonstrate the importance of properly applying realistic cellularity factors to computation dose models of the human body. PMID:19430219

A study of predicted bone marrow distribution on calculated marrow dose from external radiation exposures using two sets of image data for the same individual.

PubMed

Caracappa, Peter F; Chao, T C Ephraim; Xu, X George

2009-06-01

Red bone marrow is among the tissues of the human body that are most sensitive to ionizing radiation, but red bone marrow cannot be distinguished from yellow bone marrow by normal radiographic means. When using a computational model of the body constructed from computed tomography (CT) images for radiation dose, assumptions must be applied to calculate the dose to the red bone marrow. This paper presents an analysis of two methods of calculating red bone marrow distribution: 1) a homogeneous mixture of red and yellow bone marrow throughout the skeleton, and 2) International Commission on Radiological Protection cellularity factors applied to each bone segment. A computational dose model was constructed from the CT image set of the Visible Human Project and compared to the VIP-Man model, which was derived from color photographs of the same individual. These two data sets for the same individual provide the unique opportunity to compare the methods applied to the CT-based model against the observed distribution of red bone marrow for that individual. The mass of red bone marrow in each bone segment was calculated using both methods. The effect of the different red bone marrow distributions was analyzed by calculating the red bone marrow dose using the EGS4 Monte Carlo code for parallel beams of monoenergetic photons over an energy range of 30 keV to 6 MeV, cylindrical (simplified CT) sources centered about the head and abdomen over an energy range of 30 keV to 1 MeV, and a whole-body electron irradiation treatment protocol for 3.9 MeV electrons. Applying the method with cellularity factors improves the average difference in the estimation of mass in each bone segment as compared to the mass in VIP-Man by 45% over the homogenous mixture method. Red bone marrow doses calculated by the two methods are similar for parallel photon beams at high energy (above about 200 keV), but differ by as much as 40% at lower energies. The calculated red bone marrow doses differ significantly for simplified CT and electron beam irradiation, since the computed red bone marrow dose is a strong function of the cellularity factor applied to bone segments within the primary radiation beam. These results demonstrate the importance of properly applying realistic cellularity factors to computation dose models of the human body.

A boundary element alternating method for two-dimensional mixed-mode fracture problems

NASA Technical Reports Server (NTRS)

Raju, I. S.; Krishnamurthy, T.

1992-01-01

A boundary element alternating method, denoted herein as BEAM, is presented for two dimensional fracture problems. This is an iterative method which alternates between two solutions. An analytical solution for arbitrary polynomial normal and tangential pressure distributions applied to the crack faces of an embedded crack in an infinite plate is used as the fundamental solution in the alternating method. A boundary element method for an uncracked finite plate is the second solution. For problems of edge cracks a technique of utilizing finite elements with BEAM is presented to overcome the inherent singularity in boundary element stress calculation near the boundaries. Several computational aspects that make the algorithm efficient are presented. Finally, the BEAM is applied to a variety of two dimensional crack problems with different configurations and loadings to assess the validity of the method. The method gives accurate stress intensity factors with minimal computing effort.

Symbolic programming language in molecular multicenter integral problem

NASA Astrophysics Data System (ADS)

Safouhi, Hassan; Bouferguene, Ahmed

It is well known that in any ab initio molecular orbital (MO) calculation, the major task involves the computation of molecular integrals, among which the computation of three-center nuclear attraction and Coulomb integrals is the most frequently encountered. As the molecular system becomes larger, computation of these integrals becomes one of the most laborious and time-consuming steps in molecular systems calculation. Improvement of the computational methods of molecular integrals would be indispensable to further development in computational studies of large molecular systems. To develop fast and accurate algorithms for the numerical evaluation of these integrals over B functions, we used nonlinear transformations for improving convergence of highly oscillatory integrals. These methods form the basis of new methods for solving various problems that were unsolvable otherwise and have many applications as well. To apply these nonlinear transformations, the integrands should satisfy linear differential equations with coefficients having asymptotic power series in the sense of Poincaré, which in their turn should satisfy some limit conditions. These differential equations are very difficult to obtain explicitly. In the case of molecular integrals, we used a symbolic programming language (MAPLE) to demonstrate that all the conditions required to apply these nonlinear transformation methods are satisfied. Differential equations are obtained explicitly, allowing us to demonstrate that the limit conditions are also satisfied.

Third-order accurate conservative method on unstructured meshes for gasdynamic simulations

NASA Astrophysics Data System (ADS)

Shirobokov, D. A.

2017-04-01

A third-order accurate finite-volume method on unstructured meshes is proposed for solving viscous gasdynamic problems. The method is described as applied to the advection equation. The accuracy of the method is verified by computing the evolution of a vortex on meshes of various degrees of detail with variously shaped cells. Additionally, unsteady flows around a cylinder and a symmetric airfoil are computed. The numerical results are presented in the form of plots and tables.

System and methods for determining masking signals for applying empirical mode decomposition (EMD) and for demodulating intrinsic mode functions obtained from application of EMD

DOEpatents

Senroy, Nilanjan [New Delhi, IN; Suryanarayanan, Siddharth [Littleton, CO

2011-03-15

A computer-implemented method of signal processing is provided. The method includes generating one or more masking signals based upon a computed Fourier transform of a received signal. The method further includes determining one or more intrinsic mode functions (IMFs) of the received signal by performing a masking-signal-based empirical mode decomposition (EMD) using the at least one masking signal.

Maximum entropy method applied to deblurring images on a MasPar MP-1 computer

NASA Technical Reports Server (NTRS)

Bonavito, N. L.; Dorband, John; Busse, Tim

1991-01-01

A statistical inference method based on the principle of maximum entropy is developed for the purpose of enhancing and restoring satellite images. The proposed maximum entropy image restoration method is shown to overcome the difficulties associated with image restoration and provide the smoothest and most appropriate solution consistent with the measured data. An implementation of the method on the MP-1 computer is described, and results of tests on simulated data are presented.

Computational efficiency for the surface renewal method

NASA Astrophysics Data System (ADS)

Kelley, Jason; Higgins, Chad

2018-04-01

Measuring surface fluxes using the surface renewal (SR) method requires programmatic algorithms for tabulation, algebraic calculation, and data quality control. A number of different methods have been published describing automated calibration of SR parameters. Because the SR method utilizes high-frequency (10 Hz+) measurements, some steps in the flux calculation are computationally expensive, especially when automating SR to perform many iterations of these calculations. Several new algorithms were written that perform the required calculations more efficiently and rapidly, and that tested for sensitivity to length of flux averaging period, ability to measure over a large range of lag timescales, and overall computational efficiency. These algorithms utilize signal processing techniques and algebraic simplifications that demonstrate simple modifications that dramatically improve computational efficiency. The results here complement efforts by other authors to standardize a robust and accurate computational SR method. Increased speed of computation time grants flexibility to implementing the SR method, opening new avenues for SR to be used in research, for applied monitoring, and in novel field deployments.

Analysis and computation of a least-squares method for consistent mesh tying

DOE PAGES

Day, David; Bochev, Pavel

2007-07-10

We report in the finite element method, a standard approach to mesh tying is to apply Lagrange multipliers. If the interface is curved, however, discretization generally leads to adjoining surfaces that do not coincide spatially. Straightforward Lagrange multiplier methods lead to discrete formulations failing a first-order patch test [T.A. Laursen, M.W. Heinstein, Consistent mesh-tying methods for topologically distinct discretized surfaces in non-linear solid mechanics, Internat. J. Numer. Methods Eng. 57 (2003) 1197–1242]. This paper presents a theoretical and computational study of a least-squares method for mesh tying [P. Bochev, D.M. Day, A least-squares method for consistent mesh tying, Internat. J.more » Numer. Anal. Modeling 4 (2007) 342–352], applied to the partial differential equation -∇ 2φ+αφ=f. We prove optimal convergence rates for domains represented as overlapping subdomains and show that the least-squares method passes a patch test of the order of the finite element space by construction. To apply the method to subdomain configurations with gaps and overlaps we use interface perturbations to eliminate the gaps. Finally, theoretical error estimates are illustrated by numerical experiments.« less

A solar radiation model for use in climate studies

NASA Technical Reports Server (NTRS)

Chou, Ming-Dah

1992-01-01

A solar radiation routine is developed for use in climate studies that includes absorption and scattering due to ozone, water vapor, oxygen, carbon dioxide, clouds, and aerosols. Rayleigh scattering is also included. Broadband parameterization is used to compute the absorption by water vapor in a clear atmosphere, and the k-distribution method is applied to compute fluxes in a scattering atmosphere. The reflectivity and transmissivity of a scattering layer are computed analytically using the delta-four-stream discrete-ordinate approximation. The two-stream adding method is then applied to compute fluxes for a composite of clear and scattering layers. Compared to the results of high spectral resolution and detailed multiple-scattering calculations, fluxes and heating rate are accurately computed to within a few percent. The high accuracy of the flux and heating-rate calculations is achieved with a reasonable amount of computing time. With the UV and visible region grouped into four bands, this solar radiation routine is useful not only for climate studies but also for studies on photolysis in the upper atmosphere and photosynthesis in the biosphere.

EPAS TOXCAST PROGRAM FOR PREDICTING HAZARD AND PRIORITIZING TOXICITY TESTING OF ENVIRONMENTAL CHEMICALS(S).

EPA Science Inventory

EPAs National Center for Computational Toxicology is developing methods that apply computational chemistry, high-throughput screening (HTS) and genomic technologies to predict potential toxicity and prioritize the use of limited testing resources.

Three dimensional electrochemical simulation of solid oxide fuel cell cathode based on microstructure reconstructed by marching cubes method

NASA Astrophysics Data System (ADS)

He, An; Gong, Jiaming; Shikazono, Naoki

2018-05-01

In the present study, a model is introduced to correlate the electrochemical performance of solid oxide fuel cell (SOFC) with the 3D microstructure reconstructed by focused ion beam scanning electron microscopy (FIB-SEM) in which the solid surface is modeled by the marching cubes (MC) method. Lattice Boltzmann method (LBM) is used to solve the governing equations. In order to maintain the geometries reconstructed by the MC method, local effective diffusivities and conductivities computed based on the MC geometries are applied in each grid, and partial bounce-back scheme is applied according to the boundary predicted by the MC method. From the tortuosity factor and overpotential calculation results, it is concluded that the MC geometry drastically improves the computational accuracy by giving more precise topology information.

A two-phase method for timber supply analysis

Treesearch

Stephen Smith

1978-01-01

There is an increasing need to clarify the long-term wood supply implications of current harvesting rates. To assess the wood supply and to set timber production objectives, different linear programming techniques are applied to the short and long term. The transportation method is applied to the short term and the B. C. Forest Service computer-assisted resource...

Radial mixing in turbomachines

NASA Astrophysics Data System (ADS)

Segaert, P.; Hirsch, Ch.; Deruyck, J.

1991-03-01

A method for computing the effects of radial mixing in a turbomachinery blade row has been developed. The method fits in the framework of a quasi-3D flow computation and hence is applied in a corrective fashion to through flow distributions. The method takes into account both secondary flows and turbulent diffusion as possible sources of mixing. Secondary flow velocities determine the magnitude of the convection terms in the energy redistribution equation while a turbulent diffusion coefficient determines the magnitude of the diffusion terms. Secondary flows are computed by solving a Poisson equation for a secondary streamfunction on a transversal S3-plane, whereby the right-hand side axial vorticity is composed of different contributions, each associated to a particular flow region: inviscid core flow, end-wall boundary layers, profile boundary layers and wakes. The turbulent mixing coefficient is estimated by a semi-empirical correlation. Secondary flow theory is applied to the VUB cascade testcase and comparisons are made between the computational results and the extensive experimental data available for this testcase. This comparison shows that the secondary flow computations yield reliable predictions of the secondary flow pattern, both qualitatively and quantitatively, taking into account the limitations of the model. However, the computations show that use of a uniform mixing coefficient has to be replaced by a more sophisticated approach.

EIT image reconstruction based on a hybrid FE-EFG forward method and the complete-electrode model.

PubMed

Hadinia, M; Jafari, R; Soleimani, M

2016-06-01

This paper presents the application of the hybrid finite element-element free Galerkin (FE-EFG) method for the forward and inverse problems of electrical impedance tomography (EIT). The proposed method is based on the complete electrode model. Finite element (FE) and element-free Galerkin (EFG) methods are accurate numerical techniques. However, the FE technique has meshing task problems and the EFG method is computationally expensive. In this paper, the hybrid FE-EFG method is applied to take both advantages of FE and EFG methods, the complete electrode model of the forward problem is solved, and an iterative regularized Gauss-Newton method is adopted to solve the inverse problem. The proposed method is applied to compute Jacobian in the inverse problem. Utilizing 2D circular homogenous models, the numerical results are validated with analytical and experimental results and the performance of the hybrid FE-EFG method compared with the FE method is illustrated. Results of image reconstruction are presented for a human chest experimental phantom.

A comparison of methods for computing the sigma-coordinate pressure gradient force for flow over sloped terrain in a hybrid theta-sigma model

NASA Technical Reports Server (NTRS)

Johnson, D. R.; Uccellini, L. W.

1983-01-01

In connection with the employment of the sigma coordinates introduced by Phillips (1957), problems can arise regarding an accurate finite-difference computation of the pressure gradient force. Over steeply sloped terrain, the calculation of the sigma-coordinate pressure gradient force involves computing the difference between two large terms of opposite sign which results in large truncation error. To reduce the truncation error, several finite-difference methods have been designed and implemented. The present investigation has the objective to provide another method of computing the sigma-coordinate pressure gradient force. Phillips' method is applied for the elimination of a hydrostatic component to a flux formulation. The new technique is compared with four other methods for computing the pressure gradient force. The work is motivated by the desire to use an isentropic and sigma-coordinate hybrid model for experiments designed to study flow near mountainous terrain.

Improved Quasi-Newton method via PSB update for solving systems of nonlinear equations

NASA Astrophysics Data System (ADS)

Mamat, Mustafa; Dauda, M. K.; Waziri, M. Y.; Ahmad, Fadhilah; Mohamad, Fatma Susilawati

2016-10-01

The Newton method has some shortcomings which includes computation of the Jacobian matrix which may be difficult or even impossible to compute and solving the Newton system in every iteration. Also, the common setback with some quasi-Newton methods is that they need to compute and store an n × n matrix at each iteration, this is computationally costly for large scale problems. To overcome such drawbacks, an improved Method for solving systems of nonlinear equations via PSB (Powell-Symmetric-Broyden) update is proposed. In the proposed method, the approximate Jacobian inverse Hk of PSB is updated and its efficiency has improved thereby require low memory storage, hence the main aim of this paper. The preliminary numerical results show that the proposed method is practically efficient when applied on some benchmark problems.

Method and apparatus for sensor fusion

NASA Technical Reports Server (NTRS)

Krishen, Kumar (Inventor); Shaw, Scott (Inventor); Defigueiredo, Rui J. P. (Inventor)

1991-01-01

Method and apparatus for fusion of data from optical and radar sensors by error minimization procedure is presented. The method was applied to the problem of shape reconstruction of an unknown surface at a distance. The method involves deriving an incomplete surface model from an optical sensor. The unknown characteristics of the surface are represented by some parameter. The correct value of the parameter is computed by iteratively generating theoretical predictions of the radar cross sections (RCS) of the surface, comparing the predicted and the observed values for the RCS, and improving the surface model from results of the comparison. Theoretical RCS may be computed from the surface model in several ways. One RCS prediction technique is the method of moments. The method of moments can be applied to an unknown surface only if some shape information is available from an independent source. The optical image provides the independent information.

A note on the preconditioner Pm=(I+Sm)

NASA Astrophysics Data System (ADS)

Kohno, Toshiyuki; Niki, Hiroshi

2009-03-01

Kotakemori et al. [H. Kotakemori, K. Harada, M. Morimoto, H. Niki, A comparison theorem for the iterative method with the preconditioner (I+Smax), Journal of Computational and Applied Mathematics 145 (2002) 373-378] have reported that the convergence rate of the iterative method with a preconditioner Pm=(I+Sm) was superior to one of the modified Gauss-Seidel method under the condition. These authors derived a theorem comparing the Gauss-Seidel method with the proposed method. However, through application of a counter example, Wen Li [Wen Li, A note on the preconditioned GaussSeidel (GS) method for linear systems, Journal of Computational and Applied Mathematics 182 (2005) 81-91] pointed out that there exists a special matrix that does not satisfy this comparison theorem. In this note, we analyze the reason why such a to counter example may be produced, and propose a preconditioner to overcome this problem.

An efficient method for the computation of Legendre moments.

PubMed

Yap, Pew-Thian; Paramesran, Raveendran

2005-12-01

Legendre moments are continuous moments, hence, when applied to discrete-space images, numerical approximation is involved and error occurs. This paper proposes a method to compute the exact values of the moments by mathematically integrating the Legendre polynomials over the corresponding intervals of the image pixels. Experimental results show that the values obtained match those calculated theoretically, and the image reconstructed from these moments have lower error than that of the conventional methods for the same order. Although the same set of exact Legendre moments can be obtained indirectly from the set of geometric moments, the computation time taken is much longer than the proposed method.

A multidimensional finite element method for CFD

NASA Technical Reports Server (NTRS)

Pepper, Darrell W.; Humphrey, Joseph W.

1991-01-01

A finite element method is used to solve the equations of motion for 2- and 3-D fluid flow. The time-dependent equations are solved explicitly using quadrilateral (2-D) and hexahedral (3-D) elements, mass lumping, and reduced integration. A Petrov-Galerkin technique is applied to the advection terms. The method requires a minimum of computational storage, executes quickly, and is scalable for execution on computer systems ranging from PCs to supercomputers.

Jet production in the CoLoRFulNNLO method: Event shapes in electron-positron collisions

NASA Astrophysics Data System (ADS)

Del Duca, Vittorio; Duhr, Claude; Kardos, Adam; Somogyi, Gábor; Szőr, Zoltán; Trócsányi, Zoltán; Tulipánt, Zoltán

2016-10-01

We present the CoLoRFulNNLO method to compute higher order radiative corrections to jet cross sections in perturbative QCD. We apply our method to the computation of event shape observables in electron-positron collisions at NNLO accuracy and validate our code by comparing our predictions to previous results in the literature. We also calculate for the first time jet cone energy fraction at NNLO.

Rapid extraction of image texture by co-occurrence using a hybrid data structure

NASA Astrophysics Data System (ADS)

Clausi, David A.; Zhao, Yongping

2002-07-01

Calculation of co-occurrence probabilities is a popular method for determining texture features within remotely sensed digital imagery. Typically, the co-occurrence features are calculated by using a grey level co-occurrence matrix (GLCM) to store the co-occurring probabilities. Statistics are applied to the probabilities in the GLCM to generate the texture features. This method is computationally intensive since the matrix is usually sparse leading to many unnecessary calculations involving zero probabilities when applying the statistics. An improvement on the GLCM method is to utilize a grey level co-occurrence linked list (GLCLL) to store only the non-zero co-occurring probabilities. The GLCLL suffers since, to achieve preferred computational speeds, the list should be sorted. An improvement on the GLCLL is to utilize a grey level co-occurrence hybrid structure (GLCHS) based on an integrated hash table and linked list approach. Texture features obtained using this technique are identical to those obtained using the GLCM and GLCLL. The GLCHS method is implemented using the C language in a Unix environment. Based on a Brodatz test image, the GLCHS method is demonstrated to be a superior technique when compared across various window sizes and grey level quantizations. The GLCHS method required, on average, 33.4% ( σ=3.08%) of the computational time required by the GLCLL. Significant computational gains are made using the GLCHS method.

A computing method for spatial accessibility based on grid partition

NASA Astrophysics Data System (ADS)

Ma, Linbing; Zhang, Xinchang

2007-06-01

An accessibility computing method and process based on grid partition was put forward in the paper. As two important factors impacting on traffic, density of road network and relative spatial resistance for difference land use was integrated into computing traffic cost in each grid. A* algorithms was inducted to searching optimum traffic cost of grids path, a detailed searching process and definition of heuristic evaluation function was described in the paper. Therefore, the method can be implemented more simply and its data source is obtained more easily. Moreover, by changing heuristic searching information, more reasonable computing result can be obtained. For confirming our research, a software package was developed with C# language under ArcEngine9 environment. Applying the computing method, a case study on accessibility of business districts in Guangzhou city was carried out.

Position Paper: Applying Machine Learning to Software Analysis to Achieve Trusted, Repeatable Scientific Computing

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

Prowell, Stacy J; Symons, Christopher T

2015-01-01

Producing trusted results from high-performance codes is essential for policy and has significant economic impact. We propose combining rigorous analytical methods with machine learning techniques to achieve the goal of repeatable, trustworthy scientific computing.

Efficient Implementation of the Invariant Imbedding T-Matrix Method and the Separation of Variables Method Applied to Large Nonspherical Inhomogeneous Particles

NASA Technical Reports Server (NTRS)

Bi, Lei; Yang, Ping; Kattawar, George W.; Mishchenko, Michael I.

2012-01-01

Three terms, ''Waterman's T-matrix method'', ''extended boundary condition method (EBCM)'', and ''null field method'', have been interchangeable in the literature to indicate a method based on surface integral equations to calculate the T-matrix. Unlike the previous method, the invariant imbedding method (IIM) calculates the T-matrix by the use of a volume integral equation. In addition, the standard separation of variables method (SOV) can be applied to compute the T-matrix of a sphere centered at the origin of the coordinate system and having a maximal radius such that the sphere remains inscribed within a nonspherical particle. This study explores the feasibility of a numerical combination of the IIM and the SOV, hereafter referred to as the IIMþSOV method, for computing the single-scattering properties of nonspherical dielectric particles, which are, in general, inhomogeneous. The IIMþSOV method is shown to be capable of solving light-scattering problems for large nonspherical particles where the standard EBCM fails to converge. The IIMþSOV method is flexible and applicable to inhomogeneous particles and aggregated nonspherical particles (overlapped circumscribed spheres) representing a challenge to the standard superposition T-matrix method. The IIMþSOV computational program, developed in this study, is validated against EBCM simulated spheroid and cylinder cases with excellent numerical agreement (up to four decimal places). In addition, solutions for cylinders with large aspect ratios, inhomogeneous particles, and two-particle systems are compared with results from discrete dipole approximation (DDA) computations, and comparisons with the improved geometric-optics method (IGOM) are found to be quite encouraging.

Methodology for Benefit Analysis of CAD/CAM (Computer-Aided Design/Computer-Aided Manufacturing) in USN Shipyards.

DTIC Science & Technology

1984-03-01

difference calcula- tion, would result in erroneously lower productivity ratios. Only two topics are not adequately addressed with the method --the first...for determination of this term. 3. CAIDQS P.22li y §easuI~gZ._ Jelbo The next method differs significantly from the previous two in that it deals with...Chasen’s Method (as applied by Lonq Beach M.S.) . . . . . . . o . o . . . . . 31 2. Shah G Yans Method . . . . . . . . . . . 34 3. CARDOS Productivity

A new Lagrangian random choice method for steady two-dimensional supersonic/hypersonic flow

NASA Technical Reports Server (NTRS)

Loh, C. Y.; Hui, W. H.

1991-01-01

Glimm's (1965) random choice method has been successfully applied to compute steady two-dimensional supersonic/hypersonic flow using a new Lagrangian formulation. The method is easy to program, fast to execute, yet it is very accurate and robust. It requires no grid generation, resolves slipline and shock discontinuities crisply, can handle boundary conditions most easily, and is applicable to hypersonic as well as supersonic flow. It represents an accurate and fast alternative to the existing Eulerian methods. Many computed examples are given.

Trend analysis of salt load and evaluation of the frequency of water-quality measurements for the Gunnison, the Colorado, and the Dolores rivers in Colorado and Utah

USGS Publications Warehouse

Kircher, J.E.; Dinicola, Richard S.; Middelburg, R.F.

1984-01-01

Monthly values were computed for water-quality constituents at four streamflow gaging stations in the Upper Colorado River basin for the determination of trends. Seasonal regression and seasonal Kendall trend analysis techniques were applied to two monthly data sets at each station site for four different time periods. A recently developed method for determining optimal water-discharge data-collection frequency was also applied to the monthly water-quality data. Trend analysis results varied with each monthly load computational method, period of record, and trend detection model used. No conclusions could be reached regarding which computational method was best to use in trend analysis. Time-period selection for analysis was found to be important with regard to intended use of the results. Seasonal Kendall procedures were found to be applicable to most data sets. Seasonal regression models were more difficult to apply and were sometimes of questionable validity; however, those results were more informative than seasonal Kendall results. The best model to use depends upon the characteristics of the data and the amount of trend information needed. The measurement-frequency optimization method had potential for application to water-quality data, but refinements are needed. (USGS)

Methods of parallel computation applied on granular simulations

NASA Astrophysics Data System (ADS)

Martins, Gustavo H. B.; Atman, Allbens P. F.

2017-06-01

Every year, parallel computing has becoming cheaper and more accessible. As consequence, applications were spreading over all research areas. Granular materials is a promising area for parallel computing. To prove this statement we study the impact of parallel computing in simulations of the BNE (Brazil Nut Effect). This property is due the remarkable arising of an intruder confined to a granular media when vertically shaken against gravity. By means of DEM (Discrete Element Methods) simulations, we study the code performance testing different methods to improve clock time. A comparison between serial and parallel algorithms, using OpenMP® is also shown. The best improvement was obtained by optimizing the function that find contacts using Verlet's cells.

Animations, games, and virtual reality for the Jing-Hang Grand Canal.

PubMed

Chen, Wenzhi; Zhang, Mingmin; Pan, Zhigeng; Liu, Gengdai; Shen, Huaqing; Chen, Shengnan; Liu, Yong

2010-01-01

Digital heritage, an effective method to preserve and present natural and cultural heritage, is engaging many heritage preservation specialists and computer scientists. In particular, computer graphics researchers have become involved, and digital heritage has employed many CG techniques. For example, Daniel Pletinckx and his colleagues employed VR in a real museum at Ename, Belgium, and Zhigeng Pan and his colleagues applied it to construct a virtual Olympics museum. Soo-Chang Pei and his colleagues focused on restoring ancient Chinese paintings. Here, we describe how we've applied animations, computer games, and VR to China's famous Jing-Hang Grand Canal.

Design of Intelligent Robot as A Tool for Teaching Media Based on Computer Interactive Learning and Computer Assisted Learning to Improve the Skill of University Student

NASA Astrophysics Data System (ADS)

Zuhrie, M. S.; Basuki, I.; Asto B, I. G. P.; Anifah, L.

2018-01-01

The focus of the research is the teaching module which incorporates manufacturing, planning mechanical designing, controlling system through microprocessor technology and maneuverability of the robot. Computer interactive and computer-assisted learning is strategies that emphasize the use of computers and learning aids (computer assisted learning) in teaching and learning activity. This research applied the 4-D model research and development. The model is suggested by Thiagarajan, et.al (1974). 4-D Model consists of four stages: Define Stage, Design Stage, Develop Stage, and Disseminate Stage. This research was conducted by applying the research design development with an objective to produce a tool of learning in the form of intelligent robot modules and kit based on Computer Interactive Learning and Computer Assisted Learning. From the data of the Indonesia Robot Contest during the period of 2009-2015, it can be seen that the modules that have been developed confirm the fourth stage of the research methods of development; disseminate method. The modules which have been developed for students guide students to produce Intelligent Robot Tool for Teaching Based on Computer Interactive Learning and Computer Assisted Learning. Results of students’ responses also showed a positive feedback to relate to the module of robotics and computer-based interactive learning.

Cost-of-illness studies based on massive data: a prevalence-based, top-down regression approach.

PubMed

Stollenwerk, Björn; Welchowski, Thomas; Vogl, Matthias; Stock, Stephanie

2016-04-01

Despite the increasing availability of routine data, no analysis method has yet been presented for cost-of-illness (COI) studies based on massive data. We aim, first, to present such a method and, second, to assess the relevance of the associated gain in numerical efficiency. We propose a prevalence-based, top-down regression approach consisting of five steps: aggregating the data; fitting a generalized additive model (GAM); predicting costs via the fitted GAM; comparing predicted costs between prevalent and non-prevalent subjects; and quantifying the stochastic uncertainty via error propagation. To demonstrate the method, it was applied to aggregated data in the context of chronic lung disease to German sickness funds data (from 1999), covering over 7.3 million insured. To assess the gain in numerical efficiency, the computational time of the innovative approach has been compared with corresponding GAMs applied to simulated individual-level data. Furthermore, the probability of model failure was modeled via logistic regression. Applying the innovative method was reasonably fast (19 min). In contrast, regarding patient-level data, computational time increased disproportionately by sample size. Furthermore, using patient-level data was accompanied by a substantial risk of model failure (about 80 % for 6 million subjects). The gain in computational efficiency of the innovative COI method seems to be of practical relevance. Furthermore, it may yield more precise cost estimates.

Evaluation of MTANNs for eliminating false-positive with different computer aided pulmonary nodules detection software.

PubMed

Shi, Zhenghao; Ma, Jiejue; Feng, Yaning; He, Lifeng; Suzuki, Kenji

2015-11-01

MTANN (Massive Training Artificial Neural Network) is a promising tool, which applied to eliminate false-positive for thoracic CT in recent years. In order to evaluate whether this method is feasible to eliminate false-positive of different CAD schemes, especially, when it is applied to commercial CAD software, this paper evaluate the performance of the method for eliminating false-positives produced by three different versions of commercial CAD software for lung nodules detection in chest radiographs. Experimental results demonstrate that the approach is useful in reducing FPs for different computer aided lung nodules detection software in chest radiographs.

Wavelet-based multicomponent denoising on GPU to improve the classification of hyperspectral images

NASA Astrophysics Data System (ADS)

Quesada-Barriuso, Pablo; Heras, Dora B.; Argüello, Francisco; Mouriño, J. C.

2017-10-01

Supervised classification allows handling a wide range of remote sensing hyperspectral applications. Enhancing the spatial organization of the pixels over the image has proven to be beneficial for the interpretation of the image content, thus increasing the classification accuracy. Denoising in the spatial domain of the image has been shown as a technique that enhances the structures in the image. This paper proposes a multi-component denoising approach in order to increase the classification accuracy when a classification method is applied. It is computed on multicore CPUs and NVIDIA GPUs. The method combines feature extraction based on a 1Ddiscrete wavelet transform (DWT) applied in the spectral dimension followed by an Extended Morphological Profile (EMP) and a classifier (SVM or ELM). The multi-component noise reduction is applied to the EMP just before the classification. The denoising recursively applies a separable 2D DWT after which the number of wavelet coefficients is reduced by using a threshold. Finally, inverse 2D-DWT filters are applied to reconstruct the noise free original component. The computational cost of the classifiers as well as the cost of the whole classification chain is high but it is reduced achieving real-time behavior for some applications through their computation on NVIDIA multi-GPU platforms.

The dimension split element-free Galerkin method for three-dimensional potential problems

NASA Astrophysics Data System (ADS)

Meng, Z. J.; Cheng, H.; Ma, L. D.; Cheng, Y. M.

2018-06-01

This paper presents the dimension split element-free Galerkin (DSEFG) method for three-dimensional potential problems, and the corresponding formulae are obtained. The main idea of the DSEFG method is that a three-dimensional potential problem can be transformed into a series of two-dimensional problems. For these two-dimensional problems, the improved moving least-squares (IMLS) approximation is applied to construct the shape function, which uses an orthogonal function system with a weight function as the basis functions. The Galerkin weak form is applied to obtain a discretized system equation, and the penalty method is employed to impose the essential boundary condition. The finite difference method is selected in the splitting direction. For the purposes of demonstration, some selected numerical examples are solved using the DSEFG method. The convergence study and error analysis of the DSEFG method are presented. The numerical examples show that the DSEFG method has greater computational precision and computational efficiency than the IEFG method.

Sensitivity Analysis for Coupled Aero-structural Systems

NASA Technical Reports Server (NTRS)

Giunta, Anthony A.

1999-01-01

A novel method has been developed for calculating gradients of aerodynamic force and moment coefficients for an aeroelastic aircraft model. This method uses the Global Sensitivity Equations (GSE) to account for the aero-structural coupling, and a reduced-order modal analysis approach to condense the coupling bandwidth between the aerodynamic and structural models. Parallel computing is applied to reduce the computational expense of the numerous high fidelity aerodynamic analyses needed for the coupled aero-structural system. Good agreement is obtained between aerodynamic force and moment gradients computed with the GSE/modal analysis approach and the same quantities computed using brute-force, computationally expensive, finite difference approximations. A comparison between the computational expense of the GSE/modal analysis method and a pure finite difference approach is presented. These results show that the GSE/modal analysis approach is the more computationally efficient technique if sensitivity analysis is to be performed for two or more aircraft design parameters.

Interplay of Computer and Paper-Based Sketching in Graphic Design

ERIC Educational Resources Information Center

Pan, Rui; Kuo, Shih-Ping; Strobel, Johannes

2013-01-01

The purpose of this study is to investigate student designers' attitude and choices towards the use of computers and paper sketches when involved in a graphic design process. 65 computer graphic technology undergraduates participated in this research. A mixed method study with survey and in-depth interviews was applied to answer the research…

Breast ultrasound computed tomography using waveform inversion with source encoding

NASA Astrophysics Data System (ADS)

Wang, Kun; Matthews, Thomas; Anis, Fatima; Li, Cuiping; Duric, Neb; Anastasio, Mark A.

2015-03-01

Ultrasound computed tomography (USCT) holds great promise for improving the detection and management of breast cancer. Because they are based on the acoustic wave equation, waveform inversion-based reconstruction methods can produce images that possess improved spatial resolution properties over those produced by ray-based methods. However, waveform inversion methods are computationally demanding and have not been applied widely in USCT breast imaging. In this work, source encoding concepts are employed to develop an accelerated USCT reconstruction method that circumvents the large computational burden of conventional waveform inversion methods. This method, referred to as the waveform inversion with source encoding (WISE) method, encodes the measurement data using a random encoding vector and determines an estimate of the speed-of-sound distribution by solving a stochastic optimization problem by use of a stochastic gradient descent algorithm. Computer-simulation studies are conducted to demonstrate the use of the WISE method. Using a single graphics processing unit card, each iteration can be completed within 25 seconds for a 128 × 128 mm2 reconstruction region. The results suggest that the WISE method maintains the high spatial resolution of waveform inversion methods while significantly reducing the computational burden.

Parallelized Stochastic Cutoff Method for Long-Range Interacting Systems

NASA Astrophysics Data System (ADS)

Endo, Eishin; Toga, Yuta; Sasaki, Munetaka

2015-07-01

We present a method of parallelizing the stochastic cutoff (SCO) method, which is a Monte-Carlo method for long-range interacting systems. After interactions are eliminated by the SCO method, we subdivide a lattice into noninteracting interpenetrating sublattices. This subdivision enables us to parallelize the Monte-Carlo calculation in the SCO method. Such subdivision is found by numerically solving the vertex coloring of a graph created by the SCO method. We use an algorithm proposed by Kuhn and Wattenhofer to solve the vertex coloring by parallel computation. This method was applied to a two-dimensional magnetic dipolar system on an L × L square lattice to examine its parallelization efficiency. The result showed that, in the case of L = 2304, the speed of computation increased about 102 times by parallel computation with 288 processors.

The Real-World Connection.

ERIC Educational Resources Information Center

Estes, Charles R.

1994-01-01

Discusses theoretical versus applied science and the use of the scientific method for analysis of social issues. Topics addressed include the use of simulation and modeling; the growth in computer power, including nanotechnology; distributed computing; self-evolving programs; spiritual matters; human engineering, i.e., molding individuals;…

Computing Trimmed, Mean-Camber Surfaces At Minimum Drag

NASA Technical Reports Server (NTRS)

Lamar, John E.; Hodges, William T.

1995-01-01

VLMD computer program determines subsonic mean-camber surfaces of trimmed noncoplanar planforms with minimum vortex drag at specified lift coefficient. Up to two planforms designed together. Method used that of subsonic vortex lattice method of chord loading specification, ranging from rectangular to triangular, left specified by user. Program versatile and applied to isolated wings, wing/canard configurations, tandem wing, and wing/-winglet configuration. Written in FORTRAN.

Investigating Patterns of Interaction in Networked Learning and Computer-Supported Collaborative Learning: A Role for Social Network Analysis

ERIC Educational Resources Information Center

de Laat, Maarten; Lally, Vic; Lipponen, Lasse; Simons, Robert-Jan

2007-01-01

The focus of this study is to explore the advances that Social Network Analysis (SNA) can bring, in combination with other methods, when studying Networked Learning/Computer-Supported Collaborative Learning (NL/CSCL). We present a general overview of how SNA is applied in NL/CSCL research; we then go on to illustrate how this research method can…

A scalable parallel black oil simulator on distributed memory parallel computers

NASA Astrophysics Data System (ADS)

Wang, Kun; Liu, Hui; Chen, Zhangxin

2015-11-01

This paper presents our work on developing a parallel black oil simulator for distributed memory computers based on our in-house parallel platform. The parallel simulator is designed to overcome the performance issues of common simulators that are implemented for personal computers and workstations. The finite difference method is applied to discretize the black oil model. In addition, some advanced techniques are employed to strengthen the robustness and parallel scalability of the simulator, including an inexact Newton method, matrix decoupling methods, and algebraic multigrid methods. A new multi-stage preconditioner is proposed to accelerate the solution of linear systems from the Newton methods. Numerical experiments show that our simulator is scalable and efficient, and is capable of simulating extremely large-scale black oil problems with tens of millions of grid blocks using thousands of MPI processes on parallel computers.

Verification, Validation, and Solution Quality in Computational Physics: CFD Methods Applied to Ice Sheet Physics

NASA Technical Reports Server (NTRS)

Thompson, David E.

2005-01-01

Procedures and methods for veri.cation of coding algebra and for validations of models and calculations used in the aerospace computational fluid dynamics (CFD) community would be ef.cacious if used by the glacier dynamics modeling community. This paper presents some of those methods, and how they might be applied to uncertainty management supporting code veri.cation and model validation for glacier dynamics. The similarities and differences between their use in CFD analysis and the proposed application of these methods to glacier modeling are discussed. After establishing sources of uncertainty and methods for code veri.cation, the paper looks at a representative sampling of veri.cation and validation efforts that are underway in the glacier modeling community, and establishes a context for these within an overall solution quality assessment. Finally, a vision of a new information architecture and interactive scienti.c interface is introduced and advocated.

Parallel fast multipole boundary element method applied to computational homogenization

NASA Astrophysics Data System (ADS)

Ptaszny, Jacek

2018-01-01

In the present work, a fast multipole boundary element method (FMBEM) and a parallel computer code for 3D elasticity problem is developed and applied to the computational homogenization of a solid containing spherical voids. The system of equation is solved by using the GMRES iterative solver. The boundary of the body is dicretized by using the quadrilateral serendipity elements with an adaptive numerical integration. Operations related to a single GMRES iteration, performed by traversing the corresponding tree structure upwards and downwards, are parallelized by using the OpenMP standard. The assignment of tasks to threads is based on the assumption that the tree nodes at which the moment transformations are initialized can be partitioned into disjoint sets of equal or approximately equal size and assigned to the threads. The achieved speedup as a function of number of threads is examined.

Space-time least-squares Petrov-Galerkin projection in nonlinear model reduction.

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

Choi, Youngsoo; Carlberg, Kevin Thomas

Our work proposes a space-time least-squares Petrov-Galerkin (ST-LSPG) projection method for model reduction of nonlinear dynamical systems. In contrast to typical nonlinear model-reduction methods that first apply Petrov-Galerkin projection in the spatial dimension and subsequently apply time integration to numerically resolve the resulting low-dimensional dynamical system, the proposed method applies projection in space and time simultaneously. To accomplish this, the method first introduces a low-dimensional space-time trial subspace, which can be obtained by computing tensor decompositions of state-snapshot data. The method then computes discrete-optimal approximations in this space-time trial subspace by minimizing the residual arising after time discretization over allmore » space and time in a weighted ℓ 2-norm. This norm can be de ned to enable complexity reduction (i.e., hyper-reduction) in time, which leads to space-time collocation and space-time GNAT variants of the ST-LSPG method. Advantages of the approach relative to typical spatial-projection-based nonlinear model reduction methods such as Galerkin projection and least-squares Petrov-Galerkin projection include: (1) a reduction of both the spatial and temporal dimensions of the dynamical system, (2) the removal of spurious temporal modes (e.g., unstable growth) from the state space, and (3) error bounds that exhibit slower growth in time. Numerical examples performed on model problems in fluid dynamics demonstrate the ability of the method to generate orders-of-magnitude computational savings relative to spatial-projection-based reduced-order models without sacrificing accuracy.« less

Comparison of static and dynamic computer-assisted guidance methods in implantology.

PubMed

Mischkowski, R A; Zinser, M J; Neugebauer, J; Kübler, A C; Zöller, J E

2006-01-01

The planning of dental implant position and its transfer to the operation site can be considered as one of the most important factors for the long-term success of implant-supported prosthetic and epithetic restorations. This study compares computer-assisted fabricated surgical templates as the static method with intro-operative image guided navigation as the dynamic method for transfer of three-dimensional pre-operative planning. For the static method, the systems Med3D, coDiagnostix/ gonyX, and SimPlant were used. For the dynamic method, the systems RoboDent und VectorVision2 were applied. A total of 746 implants were inserted between August 1999 and December 2005 in 206 patients. The static approach was used most frequently, accounting for 611 fixtures in 168 patients. The failure ratios within the first 6 months were 1.31% in the statically controlled insertion group compared to 2.96% in the dynamically controlled insertion group. Complications related to an incorrect position of the implants have not been observed so far in either group. All computer-assisted methods included in this study were successfully applied in a clinical setting after a certain start-up period. The indications for application of computer-assisted methods in implantology are currently given in difficult anatomical situations. Due to uncomplicated handling and low resource demands, the static template technique can be recommended as the method of choice for the majority of all cases falling into this category.

Extension of a streamwise upwind algorithm to a moving grid system

NASA Technical Reports Server (NTRS)

Obayashi, Shigeru; Goorjian, Peter M.; Guruswamy, Guru P.

1990-01-01

A new streamwise upwind algorithm was derived to compute unsteady flow fields with the use of a moving-grid system. The temporally nonconservative LU-ADI (lower-upper-factored, alternating-direction-implicit) method was applied for time marching computations. A comparison of the temporally nonconservative method with a time-conservative implicit upwind method indicates that the solutions are insensitive to the conservative properties of the implicit solvers when practical time steps are used. Using this new method, computations were made for an oscillating wing at a transonic Mach number. The computed results confirm that the present upwind scheme captures the shock motion better than the central-difference scheme based on the beam-warming algorithm. The new upwind option of the code allows larger time-steps and thus is more efficient, even though it requires slightly more computational time per time step than the central-difference option.

Computer-aided detection of initial polyp candidates with level set-based adaptive convolution

NASA Astrophysics Data System (ADS)

Zhu, Hongbin; Duan, Chaijie; Liang, Zhengrong

2009-02-01

In order to eliminate or weaken the interference between different topological structures on the colon wall, adaptive and normalized convolution methods were used to compute the first and second order spatial derivatives of computed tomographic colonography images, which is the beginning of various geometric analyses. However, the performance of such methods greatly depends on the single-layer representation of the colon wall, which is called the starting layer (SL) in the following text. In this paper, we introduce a level set-based adaptive convolution (LSAC) method to compute the spatial derivatives, in which the level set method is employed to determine a more reasonable SL. The LSAC was applied to a computer-aided detection (CAD) scheme to detect the initial polyp candidates, and experiments showed that it benefits the CAD scheme in both the detection sensitivity and specificity as compared to our previous work.

Fast hydrological model calibration based on the heterogeneous parallel computing accelerated shuffled complex evolution method

NASA Astrophysics Data System (ADS)

Kan, Guangyuan; He, Xiaoyan; Ding, Liuqian; Li, Jiren; Hong, Yang; Zuo, Depeng; Ren, Minglei; Lei, Tianjie; Liang, Ke

2018-01-01

Hydrological model calibration has been a hot issue for decades. The shuffled complex evolution method developed at the University of Arizona (SCE-UA) has been proved to be an effective and robust optimization approach. However, its computational efficiency deteriorates significantly when the amount of hydrometeorological data increases. In recent years, the rise of heterogeneous parallel computing has brought hope for the acceleration of hydrological model calibration. This study proposed a parallel SCE-UA method and applied it to the calibration of a watershed rainfall-runoff model, the Xinanjiang model. The parallel method was implemented on heterogeneous computing systems using OpenMP and CUDA. Performance testing and sensitivity analysis were carried out to verify its correctness and efficiency. Comparison results indicated that heterogeneous parallel computing-accelerated SCE-UA converged much more quickly than the original serial version and possessed satisfactory accuracy and stability for the task of fast hydrological model calibration.

A Real-Time High Performance Computation Architecture for Multiple Moving Target Tracking Based on Wide-Area Motion Imagery via Cloud and Graphic Processing Units

PubMed Central

Liu, Kui; Wei, Sixiao; Chen, Zhijiang; Jia, Bin; Chen, Genshe; Ling, Haibin; Sheaff, Carolyn; Blasch, Erik

2017-01-01

This paper presents the first attempt at combining Cloud with Graphic Processing Units (GPUs) in a complementary manner within the framework of a real-time high performance computation architecture for the application of detecting and tracking multiple moving targets based on Wide Area Motion Imagery (WAMI). More specifically, the GPU and Cloud Moving Target Tracking (GC-MTT) system applied a front-end web based server to perform the interaction with Hadoop and highly parallelized computation functions based on the Compute Unified Device Architecture (CUDA©). The introduced multiple moving target detection and tracking method can be extended to other applications such as pedestrian tracking, group tracking, and Patterns of Life (PoL) analysis. The cloud and GPUs based computing provides an efficient real-time target recognition and tracking approach as compared to methods when the work flow is applied using only central processing units (CPUs). The simultaneous tracking and recognition results demonstrate that a GC-MTT based approach provides drastically improved tracking with low frame rates over realistic conditions. PMID:28208684

A Real-Time High Performance Computation Architecture for Multiple Moving Target Tracking Based on Wide-Area Motion Imagery via Cloud and Graphic Processing Units.

PubMed

Liu, Kui; Wei, Sixiao; Chen, Zhijiang; Jia, Bin; Chen, Genshe; Ling, Haibin; Sheaff, Carolyn; Blasch, Erik

2017-02-12

This paper presents the first attempt at combining Cloud with Graphic Processing Units (GPUs) in a complementary manner within the framework of a real-time high performance computation architecture for the application of detecting and tracking multiple moving targets based on Wide Area Motion Imagery (WAMI). More specifically, the GPU and Cloud Moving Target Tracking (GC-MTT) system applied a front-end web based server to perform the interaction with Hadoop and highly parallelized computation functions based on the Compute Unified Device Architecture (CUDA©). The introduced multiple moving target detection and tracking method can be extended to other applications such as pedestrian tracking, group tracking, and Patterns of Life (PoL) analysis. The cloud and GPUs based computing provides an efficient real-time target recognition and tracking approach as compared to methods when the work flow is applied using only central processing units (CPUs). The simultaneous tracking and recognition results demonstrate that a GC-MTT based approach provides drastically improved tracking with low frame rates over realistic conditions.

Applications of automatic differentiation in computational fluid dynamics

NASA Technical Reports Server (NTRS)

Green, Lawrence L.; Carle, A.; Bischof, C.; Haigler, Kara J.; Newman, Perry A.

1994-01-01

Automatic differentiation (AD) is a powerful computational method that provides for computing exact sensitivity derivatives (SD) from existing computer programs for multidisciplinary design optimization (MDO) or in sensitivity analysis. A pre-compiler AD tool for FORTRAN programs called ADIFOR has been developed. The ADIFOR tool has been easily and quickly applied by NASA Langley researchers to assess the feasibility and computational impact of AD in MDO with several different FORTRAN programs. These include a state-of-the-art three dimensional multigrid Navier-Stokes flow solver for wings or aircraft configurations in transonic turbulent flow. With ADIFOR the user specifies sets of independent and dependent variables with an existing computer code. ADIFOR then traces the dependency path throughout the code, applies the chain rule to formulate derivative expressions, and generates new code to compute the required SD matrix. The resulting codes have been verified to compute exact non-geometric and geometric SD for a variety of cases. in less time than is required to compute the SD matrix using centered divided differences.

The preconditioned Gauss-Seidel method faster than the SOR method

NASA Astrophysics Data System (ADS)

Niki, Hiroshi; Kohno, Toshiyuki; Morimoto, Munenori

2008-09-01

In recent years, a number of preconditioners have been applied to linear systems [A.D. Gunawardena, S.K. Jain, L. Snyder, Modified iterative methods for consistent linear systems, Linear Algebra Appl. 154-156 (1991) 123-143; T. Kohno, H. Kotakemori, H. Niki, M. Usui, Improving modified Gauss-Seidel method for Z-matrices, Linear Algebra Appl. 267 (1997) 113-123; H. Kotakemori, K. Harada, M. Morimoto, H. Niki, A comparison theorem for the iterative method with the preconditioner (I+Smax), J. Comput. Appl. Math. 145 (2002) 373-378; H. Kotakemori, H. Niki, N. Okamoto, Accelerated iteration method for Z-matrices, J. Comput. Appl. Math. 75 (1996) 87-97; M. Usui, H. Niki, T.Kohno, Adaptive Gauss-Seidel method for linear systems, Internat. J. Comput. Math. 51(1994)119-125 [10

Conformational free energies of methyl-α-L-iduronic and methyl-β-D-glucuronic acids in water

NASA Astrophysics Data System (ADS)

Babin, Volodymyr; Sagui, Celeste

2010-03-01

We present a simulation protocol that allows for efficient sampling of the degrees of freedom of a solute in explicit solvent. The protocol involves using a nonequilibrium umbrella sampling method, in this case, the recently developed adaptively biased molecular dynamics method, to compute an approximate free energy for the slow modes of the solute in explicit solvent. This approximate free energy is then used to set up a Hamiltonian replica exchange scheme that samples both from biased and unbiased distributions. The final accurate free energy is recovered via the weighted histogram analysis technique applied to all the replicas, and equilibrium properties of the solute are computed from the unbiased trajectory. We illustrate the approach by applying it to the study of the puckering landscapes of the methyl glycosides of α-L-iduronic acid and its C5 epimer β-D-glucuronic acid in water. Big savings in computational resources are gained in comparison to the standard parallel tempering method.

Conformational free energies of methyl-alpha-L-iduronic and methyl-beta-D-glucuronic acids in water.

PubMed

Babin, Volodymyr; Sagui, Celeste

2010-03-14

We present a simulation protocol that allows for efficient sampling of the degrees of freedom of a solute in explicit solvent. The protocol involves using a nonequilibrium umbrella sampling method, in this case, the recently developed adaptively biased molecular dynamics method, to compute an approximate free energy for the slow modes of the solute in explicit solvent. This approximate free energy is then used to set up a Hamiltonian replica exchange scheme that samples both from biased and unbiased distributions. The final accurate free energy is recovered via the weighted histogram analysis technique applied to all the replicas, and equilibrium properties of the solute are computed from the unbiased trajectory. We illustrate the approach by applying it to the study of the puckering landscapes of the methyl glycosides of alpha-L-iduronic acid and its C5 epimer beta-D-glucuronic acid in water. Big savings in computational resources are gained in comparison to the standard parallel tempering method.

Computer models of complex multiloop branched pipeline systems

NASA Astrophysics Data System (ADS)

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

2013-11-01

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

Precision Learning Assessment: An Alternative to Traditional Assessment Techniques.

ERIC Educational Resources Information Center

Caltagirone, Paul J.; Glover, Christopher E.

1985-01-01

A continuous and curriculum-based assessment method, Precision Learning Assessment (PLA), which integrates precision teaching and norm-referenced techniques, was applied to a math computation curriculum for 214 third graders. The resulting districtwide learning curves defining average annual progress through the computation curriculum provided…

Infrared imaging - A validation technique for computational fluid dynamics codes used in STOVL applications

NASA Technical Reports Server (NTRS)

Hardman, R. R.; Mahan, J. R.; Smith, M. H.; Gelhausen, P. A.; Van Dalsem, W. R.

1991-01-01

The need for a validation technique for computational fluid dynamics (CFD) codes in STOVL applications has led to research efforts to apply infrared thermal imaging techniques to visualize gaseous flow fields. Specifically, a heated, free-jet test facility was constructed. The gaseous flow field of the jet exhaust was characterized using an infrared imaging technique in the 2 to 5.6 micron wavelength band as well as conventional pitot tube and thermocouple methods. These infrared images are compared to computer-generated images using the equations of radiative exchange based on the temperature distribution in the jet exhaust measured with the thermocouple traverses. Temperature and velocity measurement techniques, infrared imaging, and the computer model of the infrared imaging technique are presented and discussed. From the study, it is concluded that infrared imaging techniques coupled with the radiative exchange equations applied to CFD models are a valid method to qualitatively verify CFD codes used in STOVL applications.

Fast image interpolation via random forests.

PubMed

Huang, Jun-Jie; Siu, Wan-Chi; Liu, Tian-Rui

2015-10-01

This paper proposes a two-stage framework for fast image interpolation via random forests (FIRF). The proposed FIRF method gives high accuracy, as well as requires low computation. The underlying idea of this proposed work is to apply random forests to classify the natural image patch space into numerous subspaces and learn a linear regression model for each subspace to map the low-resolution image patch to high-resolution image patch. The FIRF framework consists of two stages. Stage 1 of the framework removes most of the ringing and aliasing artifacts in the initial bicubic interpolated image, while Stage 2 further refines the Stage 1 interpolated image. By varying the number of decision trees in the random forests and the number of stages applied, the proposed FIRF method can realize computationally scalable image interpolation. Extensive experimental results show that the proposed FIRF(3, 2) method achieves more than 0.3 dB improvement in peak signal-to-noise ratio over the state-of-the-art nonlocal autoregressive modeling (NARM) method. Moreover, the proposed FIRF(1, 1) obtains similar or better results as NARM while only takes its 0.3% computational time.

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.

High-Order Implicit-Explicit Multi-Block Time-stepping Method for Hyperbolic PDEs

NASA Technical Reports Server (NTRS)

Nielsen, Tanner B.; Carpenter, Mark H.; Fisher, Travis C.; Frankel, Steven H.

2014-01-01

This work seeks to explore and improve the current time-stepping schemes used in computational fluid dynamics (CFD) in order to reduce overall computational time. A high-order scheme has been developed using a combination of implicit and explicit (IMEX) time-stepping Runge-Kutta (RK) schemes which increases numerical stability with respect to the time step size, resulting in decreased computational time. The IMEX scheme alone does not yield the desired increase in numerical stability, but when used in conjunction with an overlapping partitioned (multi-block) domain significant increase in stability is observed. To show this, the Overlapping-Partition IMEX (OP IMEX) scheme is applied to both one-dimensional (1D) and two-dimensional (2D) problems, the nonlinear viscous Burger's equation and 2D advection equation, respectively. The method uses two different summation by parts (SBP) derivative approximations, second-order and fourth-order accurate. The Dirichlet boundary conditions are imposed using the Simultaneous Approximation Term (SAT) penalty method. The 6-stage additive Runge-Kutta IMEX time integration schemes are fourth-order accurate in time. An increase in numerical stability 65 times greater than the fully explicit scheme is demonstrated to be achievable with the OP IMEX method applied to 1D Burger's equation. Results from the 2D, purely convective, advection equation show stability increases on the order of 10 times the explicit scheme using the OP IMEX method. Also, the domain partitioning method in this work shows potential for breaking the computational domain into manageable sizes such that implicit solutions for full three-dimensional CFD simulations can be computed using direct solving methods rather than the standard iterative methods currently used.

Fast methods to numerically integrate the Reynolds equation for gas fluid films

NASA Technical Reports Server (NTRS)

Dimofte, Florin

1992-01-01

The alternating direction implicit (ADI) method is adopted, modified, and applied to the Reynolds equation for thin, gas fluid films. An efficient code is developed to predict both the steady-state and dynamic performance of an aerodynamic journal bearing. An alternative approach is shown for hybrid journal gas bearings by using Liebmann's iterative solution (LIS) for elliptic partial differential equations. The results are compared with known design criteria from experimental data. The developed methods show good accuracy and very short computer running time in comparison with methods based on an inverting of a matrix. The computer codes need a small amount of memory and can be run on either personal computers or on mainframe systems.

Computation of Pressurized Gas Bearings Using CE/SE Method

NASA Technical Reports Server (NTRS)

Cioc, Sorin; Dimofte, Florin; Keith, Theo G., Jr.; Fleming, David P.

2003-01-01

The space-time conservation element and solution element (CE/SE) method is extended to compute compressible viscous flows in pressurized thin fluid films. This numerical scheme has previously been used successfully to solve a wide variety of compressible flow problems, including flows with large and small discontinuities. In this paper, the method is applied to calculate the pressure distribution in a hybrid gas journal bearing. The formulation of the problem is presented, including the modeling of the feeding system. the numerical results obtained are compared with experimental data. Good agreement between the computed results and the test data were obtained, and thus validate the CE/SE method to solve such problems.

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.

Computational drug discovery

PubMed Central

Ou-Yang, Si-sheng; Lu, Jun-yan; Kong, Xiang-qian; Liang, Zhong-jie; Luo, Cheng; Jiang, Hualiang

2012-01-01

Computational drug discovery is an effective strategy for accelerating and economizing drug discovery and development process. Because of the dramatic increase in the availability of biological macromolecule and small molecule information, the applicability of computational drug discovery has been extended and broadly applied to nearly every stage in the drug discovery and development workflow, including target identification and validation, lead discovery and optimization and preclinical tests. Over the past decades, computational drug discovery methods such as molecular docking, pharmacophore modeling and mapping, de novo design, molecular similarity calculation and sequence-based virtual screening have been greatly improved. In this review, we present an overview of these important computational methods, platforms and successful applications in this field. PMID:22922346

Green's function methods in heavy ion shielding

NASA Technical Reports Server (NTRS)

Wilson, John W.; Costen, Robert C.; Shinn, Judy L.; Badavi, Francis F.

1993-01-01

An analytic solution to the heavy ion transport in terms of Green's function is used to generate a highly efficient computer code for space applications. The efficiency of the computer code is accomplished by a nonperturbative technique extending Green's function over the solution domain. The computer code can also be applied to accelerator boundary conditions to allow code validation in laboratory experiments.

Applying an analytical method to study neutron behavior for dosimetry

NASA Astrophysics Data System (ADS)

Shirazi, S. A. Mousavi

2016-12-01

In this investigation, a new dosimetry process is studied by applying an analytical method. This novel process is associated with a human liver tissue. The human liver tissue has compositions including water, glycogen and etc. In this study, organic compound materials of liver are decomposed into their constituent elements based upon mass percentage and density of every element. The absorbed doses are computed by analytical method in all constituent elements of liver tissue. This analytical method is introduced applying mathematical equations based on neutron behavior and neutron collision rules. The results show that the absorbed doses are converged for neutron energy below 15MeV. This method can be applied to study the interaction of neutrons in other tissues and estimating the absorbed dose for a wide range of neutron energy.

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.

Efficient computation of photonic crystal waveguide modes with dispersive material.

PubMed

Schmidt, Kersten; Kappeler, Roman

2010-03-29

The optimization of PhC waveguides is a key issue for successfully designing PhC devices. Since this design task is computationally expensive, efficient methods are demanded. The available codes for computing photonic bands are also applied to PhC waveguides. They are reliable but not very efficient, which is even more pronounced for dispersive material. We present a method based on higher order finite elements with curved cells, which allows to solve for the band structure taking directly into account the dispersiveness of the materials. This is accomplished by reformulating the wave equations as a linear eigenproblem in the complex wave-vectors k. For this method, we demonstrate the high efficiency for the computation of guided PhC waveguide modes by a convergence analysis.

Dynamic modeling of parallel robots for computed-torque control implementation

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

Codourey, A.

1998-12-01

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

Integrating Compact Constraint and Distance Regularization with Level Set for Hepatocellular Carcinoma (HCC) Segmentation on Computed Tomography (CT) Images

NASA Astrophysics Data System (ADS)

Gui, Luying; He, Jian; Qiu, Yudong; Yang, Xiaoping

2017-01-01

This paper presents a variational level set approach to segment lesions with compact shapes on medical images. In this study, we investigate to address the problem of segmentation for hepatocellular carcinoma which are usually of various shapes, variable intensities, and weak boundaries. An efficient constraint which is called the isoperimetric constraint to describe the compactness of shapes is applied in this method. In addition, in order to ensure the precise segmentation and stable movement of the level set, a distance regularization is also implemented in the proposed variational framework. Our method is applied to segment various hepatocellular carcinoma regions on Computed Tomography images with promising results. Comparison results also prove that the proposed method is more accurate than other two approaches.

Computer-Based Methods for Collecting Peer Nomination Data: Utility, Practice, and Empirical Support.

PubMed

van den Berg, Yvonne H M; Gommans, Rob

2017-09-01

New technologies have led to several major advances in psychological research over the past few decades. Peer nomination research is no exception. Thanks to these technological innovations, computerized data collection is becoming more common in peer nomination research. However, computer-based assessment is more than simply programming the questionnaire and asking respondents to fill it in on computers. In this chapter the advantages and challenges of computer-based assessments are discussed. In addition, a list of practical recommendations and considerations is provided to inform researchers on how computer-based methods can be applied to their own research. Although the focus is on the collection of peer nomination data in particular, many of the requirements, considerations, and implications are also relevant for those who consider the use of other sociometric assessment methods (e.g., paired comparisons, peer ratings, peer rankings) or computer-based assessments in general. © 2017 Wiley Periodicals, Inc.

Numerical computation of linear instability of detonations

NASA Astrophysics Data System (ADS)

Kabanov, Dmitry; Kasimov, Aslan

2017-11-01

We propose a method to study linear stability of detonations by direct numerical computation. The linearized governing equations together with the shock-evolution equation are solved in the shock-attached frame using a high-resolution numerical algorithm. The computed results are processed by the Dynamic Mode Decomposition technique to generate dispersion relations. The method is applied to the reactive Euler equations with simple-depletion chemistry as well as more complex multistep chemistry. The results are compared with those known from normal-mode analysis. We acknowledge financial support from King Abdullah University of Science and Technology.

Finite element analysis and computer graphics visualization of flow around pitching and plunging airfoils

NASA Technical Reports Server (NTRS)

Bratanow, T.; Ecer, A.

1973-01-01

A general computational method for analyzing unsteady flow around pitching and plunging airfoils was developed. The finite element method was applied in developing an efficient numerical procedure for the solution of equations describing the flow around airfoils. The numerical results were employed in conjunction with computer graphics techniques to produce visualization of the flow. The investigation involved mathematical model studies of flow in two phases: (1) analysis of a potential flow formulation and (2) analysis of an incompressible, unsteady, viscous flow from Navier-Stokes equations.

Computational methods for 2D materials: discovery, property characterization, and application design.

PubMed

Paul, J T; Singh, A K; Dong, Z; Zhuang, H; Revard, B C; Rijal, B; Ashton, M; Linscheid, A; Blonsky, M; Gluhovic, D; Guo, J; Hennig, R G

2017-11-29

The discovery of two-dimensional (2D) materials comes at a time when computational methods are mature and can predict novel 2D materials, characterize their properties, and guide the design of 2D materials for applications. This article reviews the recent progress in computational approaches for 2D materials research. We discuss the computational techniques and provide an overview of the ongoing research in the field. We begin with an overview of known 2D materials, common computational methods, and available cyber infrastructures. We then move onto the discovery of novel 2D materials, discussing the stability criteria for 2D materials, computational methods for structure prediction, and interactions of monolayers with electrochemical and gaseous environments. Next, we describe the computational characterization of the 2D materials' electronic, optical, magnetic, and superconducting properties and the response of the properties under applied mechanical strain and electrical fields. From there, we move on to discuss the structure and properties of defects in 2D materials, and describe methods for 2D materials device simulations. We conclude by providing an outlook on the needs and challenges for future developments in the field of computational research for 2D materials.

Computational methods for 2D materials: discovery, property characterization, and application design

NASA Astrophysics Data System (ADS)

Paul, J. T.; Singh, A. K.; Dong, Z.; Zhuang, H.; Revard, B. C.; Rijal, B.; Ashton, M.; Linscheid, A.; Blonsky, M.; Gluhovic, D.; Guo, J.; Hennig, R. G.

2017-11-01

The discovery of two-dimensional (2D) materials comes at a time when computational methods are mature and can predict novel 2D materials, characterize their properties, and guide the design of 2D materials for applications. This article reviews the recent progress in computational approaches for 2D materials research. We discuss the computational techniques and provide an overview of the ongoing research in the field. We begin with an overview of known 2D materials, common computational methods, and available cyber infrastructures. We then move onto the discovery of novel 2D materials, discussing the stability criteria for 2D materials, computational methods for structure prediction, and interactions of monolayers with electrochemical and gaseous environments. Next, we describe the computational characterization of the 2D materials’ electronic, optical, magnetic, and superconducting properties and the response of the properties under applied mechanical strain and electrical fields. From there, we move on to discuss the structure and properties of defects in 2D materials, and describe methods for 2D materials device simulations. We conclude by providing an outlook on the needs and challenges for future developments in the field of computational research for 2D materials.

Computation of magnetic suspension of maglev systems using dynamic circuit theory

NASA Technical Reports Server (NTRS)

He, J. L.; Rote, D. M.; Coffey, H. T.

1992-01-01

Dynamic circuit theory is applied to several magnetic suspensions associated with maglev systems. These suspension systems are the loop-shaped coil guideway, the figure-eight-shaped null-flux coil guideway, and the continuous sheet guideway. Mathematical models, which can be used for the development of computer codes, are provided for each of these suspension systems. The differences and similarities of the models in using dynamic circuit theory are discussed in the paper. The paper emphasizes the transient and dynamic analysis and computer simulation of maglev systems. In general, the method discussed here can be applied to many electrodynamic suspension system design concepts. It is also suited for the computation of the performance of maglev propulsion systems. Numerical examples are presented in the paper.

Application of augmented-Lagrangian methods in meteorology: Comparison of different conjugate-gradient codes for large-scale minimization

NASA Technical Reports Server (NTRS)

Navon, I. M.

1984-01-01

A Lagrange multiplier method using techniques developed by Bertsekas (1982) was applied to solving the problem of enforcing simultaneous conservation of the nonlinear integral invariants of the shallow water equations on a limited area domain. This application of nonlinear constrained optimization is of the large dimensional type and the conjugate gradient method was found to be the only computationally viable method for the unconstrained minimization. Several conjugate-gradient codes were tested and compared for increasing accuracy requirements. Robustness and computational efficiency were the principal criteria.

Gradient optimization and nonlinear control

NASA Technical Reports Server (NTRS)

Hasdorff, L.

1976-01-01

The book represents an introduction to computation in control by an iterative, gradient, numerical method, where linearity is not assumed. The general language and approach used are those of elementary functional analysis. The particular gradient method that is emphasized and used is conjugate gradient descent, a well known method exhibiting quadratic convergence while requiring very little more computation than simple steepest descent. Constraints are not dealt with directly, but rather the approach is to introduce them as penalty terms in the criterion. General conjugate gradient descent methods are developed and applied to problems in control.

The application of a computer data acquisition system to a new high temperature tribometer

NASA Technical Reports Server (NTRS)

Bonham, Charles D.; Dellacorte, Christopher

1991-01-01

The two data acquisition computer programs are described which were developed for a high temperature friction and wear test apparatus, a tribometer. The raw data produced by the tribometer and the methods used to sample that data are explained. In addition, the instrumentation and computer hardware and software are presented. Also shown is how computer data acquisition was applied to increase convenience and productivity on a high temperature tribometer.

The application of a computer data acquisition system for a new high temperature tribometer

NASA Technical Reports Server (NTRS)

Bonham, Charles D.; Dellacorte, Christopher

1990-01-01

The two data acquisition computer programs are described which were developed for a high temperature friction and wear test apparatus, a tribometer. The raw data produced by the tribometer and the methods used to sample that data are explained. In addition, the instrumentation and computer hardware and software are presented. Also shown is how computer data acquisition was applied to increase convenience and productivity on a high temperature tribometer.

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

DTIC Science & Technology

2007-11-05

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

Community Detection in Complex Networks via Clique Conductance.

PubMed

Lu, Zhenqi; Wahlström, Johan; Nehorai, Arye

2018-04-13

Network science plays a central role in understanding and modeling complex systems in many areas including physics, sociology, biology, computer science, economics, politics, and neuroscience. One of the most important features of networks is community structure, i.e., clustering of nodes that are locally densely interconnected. Communities reveal the hierarchical organization of nodes, and detecting communities is of great importance in the study of complex systems. Most existing community-detection methods consider low-order connection patterns at the level of individual links. But high-order connection patterns, at the level of small subnetworks, are generally not considered. In this paper, we develop a novel community-detection method based on cliques, i.e., local complete subnetworks. The proposed method overcomes the deficiencies of previous similar community-detection methods by considering the mathematical properties of cliques. We apply the proposed method to computer-generated graphs and real-world network datasets. When applied to networks with known community structure, the proposed method detects the structure with high fidelity and sensitivity. When applied to networks with no a priori information regarding community structure, the proposed method yields insightful results revealing the organization of these complex networks. We also show that the proposed method is guaranteed to detect near-optimal clusters in the bipartition case.

Hybrid computer optimization of systems with random parameters

NASA Technical Reports Server (NTRS)

White, R. C., Jr.

1972-01-01

A hybrid computer Monte Carlo technique for the simulation and optimization of systems with random parameters is presented. The method is applied to the simultaneous optimization of the means and variances of two parameters in the radar-homing missile problem treated by McGhee and Levine.

Simultaneous Aerodynamic and Structural Design Optimization (SASDO) for a 3-D Wing

NASA Technical Reports Server (NTRS)

Gumbert, Clyde R.; Hou, Gene J.-W.; Newman, Perry A.

2001-01-01

The formulation and implementation of an optimization method called Simultaneous Aerodynamic and Structural Design Optimization (SASDO) is shown as an extension of the Simultaneous Aerodynamic Analysis and Design Optimization (SAADO) method. It is extended by the inclusion of structure element sizing parameters as design variables and Finite Element Method (FEM) analysis responses as constraints. The method aims to reduce the computational expense. incurred in performing shape and sizing optimization using state-of-the-art Computational Fluid Dynamics (CFD) flow analysis, FEM structural analysis and sensitivity analysis tools. SASDO is applied to a simple. isolated, 3-D wing in inviscid flow. Results show that the method finds the saine local optimum as a conventional optimization method with some reduction in the computational cost and without significant modifications; to the analysis tools.

Aerodynamic design applying automatic differentiation and using robust variable fidelity optimization

NASA Astrophysics Data System (ADS)

Takemiya, Tetsushi

In modern aerospace engineering, the physics-based computational design method is becoming more important, as it is more efficient than experiments and because it is more suitable in designing new types of aircraft (e.g., unmanned aerial vehicles or supersonic business jets) than the conventional design method, which heavily relies on historical data. To enhance the reliability of the physics-based computational design method, researchers have made tremendous efforts to improve the fidelity of models. However, high-fidelity models require longer computational time, so the advantage of efficiency is partially lost. This problem has been overcome with the development of variable fidelity optimization (VFO). In VFO, different fidelity models are simultaneously employed in order to improve the speed and the accuracy of convergence in an optimization process. Among the various types of VFO methods, one of the most promising methods is the approximation management framework (AMF). In the AMF, objective and constraint functions of a low-fidelity model are scaled at a design point so that the scaled functions, which are referred to as "surrogate functions," match those of a high-fidelity model. Since scaling functions and the low-fidelity model constitutes surrogate functions, evaluating the surrogate functions is faster than evaluating the high-fidelity model. Therefore, in the optimization process, in which gradient-based optimization is implemented and thus many function calls are required, the surrogate functions are used instead of the high-fidelity model to obtain a new design point. The best feature of the AMF is that it may converge to a local optimum of the high-fidelity model in much less computational time than the high-fidelity model. However, through literature surveys and implementations of the AMF, the author xx found that (1) the AMF is very vulnerable when the computational analysis models have numerical noise, which is very common in high-fidelity models, and that (2) the AMF terminates optimization erroneously when the optimization problems have constraints. The first problem is due to inaccuracy in computing derivatives in the AMF, and the second problem is due to erroneous treatment of the trust region ratio, which sets the size of the domain for an optimization in the AMF. In order to solve the first problem of the AMF, automatic differentiation (AD) technique, which reads the codes of analysis models and automatically generates new derivative codes based on some mathematical rules, is applied. If derivatives are computed with the generated derivative code, they are analytical, and the required computational time is independent of the number of design variables, which is very advantageous for realistic aerospace engineering problems. However, if analysis models implement iterative computations such as computational fluid dynamics (CFD), which solves system partial differential equations iteratively, computing derivatives through the AD requires a massive memory size. The author solved this deficiency by modifying the AD approach and developing a more efficient implementation with CFD, and successfully applied the AD to general CFD software. In order to solve the second problem of the AMF, the governing equation of the trust region ratio, which is very strict against the violation of constraints, is modified so that it can accept the violation of constraints within some tolerance. By accepting violations of constraints during the optimization process, the AMF can continue optimization without terminating immaturely and eventually find the true optimum design point. With these modifications, the AMF is referred to as "Robust AMF," and it is applied to airfoil and wing aerodynamic design problems using Euler CFD software. The former problem has 21 design variables, and the latter 64. In both problems, derivatives computed with the proposed AD method are first compared with those computed with the finite differentiation (FD) method, and then, the Robust AMF is implemented along with the sequential quadratic programming (SQP) optimization method with only high-fidelity models. The proposed AD method computes derivatives more accurately and faster than the FD method, and the Robust AMF successfully optimizes shapes of the airfoil and the wing in a much shorter time than SQP with only high-fidelity models. These results clearly show the effectiveness of the Robust AMF. Finally, the feasibility of reducing computational time for calculating derivatives and the necessity of AMF with an optimum design point always in the feasible region are discussed as future work.

Regression modeling of ground-water flow

USGS Publications Warehouse

Cooley, R.L.; Naff, R.L.

1985-01-01

Nonlinear multiple regression methods are developed to model and analyze groundwater flow systems. Complete descriptions of regression methodology as applied to groundwater flow models allow scientists and engineers engaged in flow modeling to apply the methods to a wide range of problems. Organization of the text proceeds from an introduction that discusses the general topic of groundwater flow modeling, to a review of basic statistics necessary to properly apply regression techniques, and then to the main topic: exposition and use of linear and nonlinear regression to model groundwater flow. Statistical procedures are given to analyze and use the regression models. A number of exercises and answers are included to exercise the student on nearly all the methods that are presented for modeling and statistical analysis. Three computer programs implement the more complex methods. These three are a general two-dimensional, steady-state regression model for flow in an anisotropic, heterogeneous porous medium, a program to calculate a measure of model nonlinearity with respect to the regression parameters, and a program to analyze model errors in computed dependent variables such as hydraulic head. (USGS)

Goal-based angular adaptivity applied to a wavelet-based discretisation of the neutral particle transport equation

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

Goffin, Mark A., E-mail: mark.a.goffin@gmail.com; Buchan, Andrew G.; Dargaville, Steven

2015-01-15

A method for applying goal-based adaptive methods to the angular resolution of the neutral particle transport equation is presented. The methods are applied to an octahedral wavelet discretisation of the spherical angular domain which allows for anisotropic resolution. The angular resolution is adapted across both the spatial and energy dimensions. The spatial domain is discretised using an inner-element sub-grid scale finite element method. The goal-based adaptive methods optimise the angular discretisation to minimise the error in a specific functional of the solution. The goal-based error estimators require the solution of an adjoint system to determine the importance to the specifiedmore » functional. The error estimators and the novel methods to calculate them are described. Several examples are presented to demonstrate the effectiveness of the methods. It is shown that the methods can significantly reduce the number of unknowns and computational time required to obtain a given error. The novelty of the work is the use of goal-based adaptive methods to obtain anisotropic resolution in the angular domain for solving the transport equation. -- Highlights: •Wavelet angular discretisation used to solve transport equation. •Adaptive method developed for the wavelet discretisation. •Anisotropic angular resolution demonstrated through the adaptive method. •Adaptive method provides improvements in computational efficiency.« 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.

Novel Method for Incorporating Model Uncertainties into Gravitational Wave Parameter Estimates

NASA Astrophysics Data System (ADS)

Moore, Christopher J.; Gair, Jonathan R.

2014-12-01

Posterior distributions on parameters computed from experimental data using Bayesian techniques are only as accurate as the models used to construct them. In many applications, these models are incomplete, which both reduces the prospects of detection and leads to a systematic error in the parameter estimates. In the analysis of data from gravitational wave detectors, for example, accurate waveform templates can be computed using numerical methods, but the prohibitive cost of these simulations means this can only be done for a small handful of parameters. In this Letter, a novel method to fold model uncertainties into data analysis is proposed; the waveform uncertainty is analytically marginalized over using with a prior distribution constructed by using Gaussian process regression to interpolate the waveform difference from a small training set of accurate templates. The method is well motivated, easy to implement, and no more computationally expensive than standard techniques. The new method is shown to perform extremely well when applied to a toy problem. While we use the application to gravitational wave data analysis to motivate and illustrate the technique, it can be applied in any context where model uncertainties exist.

On some Aitken-like acceleration of the Schwarz method

NASA Astrophysics Data System (ADS)

Garbey, M.; Tromeur-Dervout, D.

2002-12-01

In this paper we present a family of domain decomposition based on Aitken-like acceleration of the Schwarz method seen as an iterative procedure with a linear rate of convergence. We first present the so-called Aitken-Schwarz procedure for linear differential operators. The solver can be a direct solver when applied to the Helmholtz problem with five-point finite difference scheme on regular grids. We then introduce the Steffensen-Schwarz variant which is an iterative domain decomposition solver that can be applied to linear and nonlinear problems. We show that these solvers have reasonable numerical efficiency compared to classical fast solvers for the Poisson problem or multigrids for more general linear and nonlinear elliptic problems. However, the salient feature of our method is that our algorithm has high tolerance to slow network in the context of distributed parallel computing and is attractive, generally speaking, to use with computer architecture for which performance is limited by the memory bandwidth rather than the flop performance of the CPU. This is nowadays the case for most parallel. computer using the RISC processor architecture. We will illustrate this highly desirable property of our algorithm with large-scale computing experiments.

University of Tennessee Center for Space Transportation and Applied Research (CSTAR)

NASA Astrophysics Data System (ADS)

1995-10-01

The Center for Space Transportation and Applied Research had projects with space applications in six major areas: laser materials processing, artificial intelligence/expert systems, space transportation, computational methods, chemical propulsion, and electric propulsion. The closeout status of all these projects is addressed.

Railroad Tie Responses to Directly Applied Rail Seat Loading in Ballasted Tracks : A Computational Study.

DOT National Transportation Integrated Search

2012-04-17

This paper describes work in-progress that applies the : finite element (FE) method in predicting the responses of : individual railroad crossties to rail seat pressure loading in a : ballasted track. Both wood and prestressed concrete crossties : ar...

University of Tennessee Center for Space Transportation and Applied Research (CSTAR)

NASA Technical Reports Server (NTRS)

1995-01-01

The Center for Space Transportation and Applied Research had projects with space applications in six major areas: laser materials processing, artificial intelligence/expert systems, space transportation, computational methods, chemical propulsion, and electric propulsion. The closeout status of all these projects is addressed.

Management of health care expenditure by soft computing methodology

NASA Astrophysics Data System (ADS)

Maksimović, Goran; Jović, Srđan; Jovanović, Radomir; Aničić, Obrad

2017-01-01

In this study was managed the health care expenditure by soft computing methodology. The main goal was to predict the gross domestic product (GDP) according to several factors of health care expenditure. Soft computing methodologies were applied since GDP prediction is very complex task. The performances of the proposed predictors were confirmed with the simulation results. According to the results, support vector regression (SVR) has better prediction accuracy compared to other soft computing methodologies. The soft computing methods benefit from the soft computing capabilities of global optimization in order to avoid local minimum issues.

Fast projection/backprojection and incremental methods applied to synchrotron light tomographic reconstruction.

PubMed

de Lima, Camila; Salomão Helou, Elias

2018-01-01

Iterative methods for tomographic image reconstruction have the computational cost of each iteration dominated by the computation of the (back)projection operator, which take roughly O(N 3 ) floating point operations (flops) for N × N pixels images. Furthermore, classical iterative algorithms may take too many iterations in order to achieve acceptable images, thereby making the use of these techniques unpractical for high-resolution images. Techniques have been developed in the literature in order to reduce the computational cost of the (back)projection operator to O(N 2 logN) flops. Also, incremental algorithms have been devised that reduce by an order of magnitude the number of iterations required to achieve acceptable images. The present paper introduces an incremental algorithm with a cost of O(N 2 logN) flops per iteration and applies it to the reconstruction of very large tomographic images obtained from synchrotron light illuminated data.

Computational Medicine: Translating Models to Clinical Care

PubMed Central

Winslow, Raimond L.; Trayanova, Natalia; Geman, Donald; Miller, Michael I.

2013-01-01

Because of the inherent complexity of coupled nonlinear biological systems, the development of computational models is necessary for achieving a quantitative understanding of their structure and function in health and disease. Statistical learning is applied to high-dimensional biomolecular data to create models that describe relationships between molecules and networks. Multiscale modeling links networks to cells, organs, and organ systems. Computational approaches are used to characterize anatomic shape and its variations in health and disease. In each case, the purposes of modeling are to capture all that we know about disease and to develop improved therapies tailored to the needs of individuals. We discuss advances in computational medicine, with specific examples in the fields of cancer, diabetes, cardiology, and neurology. Advances in translating these computational methods to the clinic are described, as well as challenges in applying models for improving patient health. PMID:23115356

Tracking perturbations in Boolean networks with spectral methods

NASA Astrophysics Data System (ADS)

Kesseli, Juha; Rämö, Pauli; Yli-Harja, Olli

2005-08-01

In this paper we present a method for predicting the spread of perturbations in Boolean networks. The method is applicable to networks that have no regular topology. The prediction of perturbations can be performed easily by using a presented result which enables the efficient computation of the required iterative formulas. This result is based on abstract Fourier transform of the functions in the network. In this paper the method is applied to show the spread of perturbations in networks containing a distribution of functions found from biological data. The advances in the study of the spread of perturbations can directly be applied to enable ways of quantifying chaos in Boolean networks. Derrida plots over an arbitrary number of time steps can be computed and thus distributions of functions compared with each other with respect to the amount of order they create in random networks.

An Introduction to the BFS Method and Its Use to Model Binary NiAl Alloys

NASA Technical Reports Server (NTRS)

Bozzolo, Guillermo; Noebe, Ronald D.; Ferrante, J.; Amador, C.

1998-01-01

We introduce the Bozzolo-Ferrante-Smith (BFS) method for alloys as a computationally efficient tool for aiding in the process of alloy design. An intuitive description of the BFS method is provided, followed by a formal discussion of its implementation. The method is applied to the study of the defect structure of NiAl binary alloys. The groundwork is laid for a detailed progression to higher order NiAl-based alloys linking theoretical calculations and computer simulations based on the BFS method and experimental work validating each step of the alloy design process.

Computational inverse methods of heat source in fatigue damage problems

NASA Astrophysics Data System (ADS)

Chen, Aizhou; Li, Yuan; Yan, Bo

2018-04-01

Fatigue dissipation energy is the research focus in field of fatigue damage at present. It is a new idea to solve the problem of calculating fatigue dissipation energy by introducing inverse method of heat source into parameter identification of fatigue dissipation energy model. This paper introduces the research advances on computational inverse method of heat source and regularization technique to solve inverse problem, as well as the existing heat source solution method in fatigue process, prospects inverse method of heat source applying in fatigue damage field, lays the foundation for further improving the effectiveness of fatigue dissipation energy rapid prediction.

Computational approach to integrate 3D X-ray microtomography and NMR data

NASA Astrophysics Data System (ADS)

Lucas-Oliveira, Everton; Araujo-Ferreira, Arthur G.; Trevizan, Willian A.; Fortulan, Carlos A.; Bonagamba, Tito J.

2018-07-01

Nowadays, most of the efforts in NMR applied to porous media are dedicated to studying the molecular fluid dynamics within and among the pores. These analyses have a higher complexity due to morphology and chemical composition of rocks, besides dynamic effects as restricted diffusion, diffusional coupling, and exchange processes. Since the translational nuclear spin diffusion in a confined geometry (e.g. pores and fractures) requires specific boundary conditions, the theoretical solutions are restricted to some special problems and, in many cases, computational methods are required. The Random Walk Method is a classic way to simulate self-diffusion along a Digital Porous Medium. Bergman model considers the magnetic relaxation process of the fluid molecules by including a probability rate of magnetization survival under surface interactions. Here we propose a statistical approach to correlate surface magnetic relaxivity with the computational method applied to the NMR relaxation in order to elucidate the relationship between simulated relaxation time and pore size of the Digital Porous Medium. The proposed computational method simulates one- and two-dimensional NMR techniques reproducing, for example, longitudinal and transverse relaxation times (T1 and T2, respectively), diffusion coefficients (D), as well as their correlations. For a good approximation between the numerical and experimental results, it is necessary to preserve the complexity of translational diffusion through the microstructures in the digital rocks. Therefore, we use Digital Porous Media obtained by 3D X-ray microtomography. To validate the method, relaxation times of ideal spherical pores were obtained and compared with the previous determinations by the Brownstein-Tarr model, as well as the computational approach proposed by Bergman. Furthermore, simulated and experimental results of synthetic porous media are compared. These results make evident the potential of computational physics in the analysis of the NMR data for complex porous materials.

Experimental Mathematics and Computational Statistics

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

Bailey, David H.; Borwein, Jonathan M.

2009-04-30

The field of statistics has long been noted for techniques to detect patterns and regularities in numerical data. In this article we explore connections between statistics and the emerging field of 'experimental mathematics'. These includes both applications of experimental mathematics in statistics, as well as statistical methods applied to computational mathematics.

Univariate and Bivariate Loglinear Models for Discrete Test Score Distributions.

ERIC Educational Resources Information Center

Holland, Paul W.; Thayer, Dorothy T.

2000-01-01

Applied the theory of exponential families of distributions to the problem of fitting the univariate histograms and discrete bivariate frequency distributions that often arise in the analysis of test scores. Considers efficient computation of the maximum likelihood estimates of the parameters using Newton's Method and computationally efficient…

76 FR 5833 - Amended Certification Regarding Eligibility to Apply for Worker Adjustment Assistance

Federal Register 2010, 2011, 2012, 2013, 2014

2011-02-02

..., INSTAMATION, INC., DYNAMIC METHODS, COLLEGIATE, CORNELIUS PROFESSIONAL SERVICES, CIBER, UC4 AND ENVISIONS... the supply of computer systems design and support services for colleges and universities. New... subject firm and the supply of computer systems design and support services for the subject firm. The...

Non-LTE profiles of strong solar lines

NASA Technical Reports Server (NTRS)

Schneeberger, T. J.; Beebe, H. A.

1976-01-01

The complete linearization method is applied to the formation of strong lines in the solar atmosphere. Transitions in Na(I), Mg(I), Ca(I), Mg(II), and Ca(II) are computed with a standard atmosphere and microturbulent velocity model. The computed profiles are compared to observations at disk center.

SIMCA T 1.0: A SAS Computer Program for Simulating Computer Adaptive Testing

ERIC Educational Resources Information Center

Raiche, Gilles; Blais, Jean-Guy

2006-01-01

Monte Carlo methodologies are frequently applied to study the sampling distribution of the estimated proficiency level in adaptive testing. These methods eliminate real situational constraints. However, these Monte Carlo methodologies are not currently supported by the available software programs, and when these programs are available, their…

Compressed Sensing for Chemistry

NASA Astrophysics Data System (ADS)

Sanders, Jacob Nathan

Many chemical applications, from spectroscopy to quantum chemistry, involve measuring or computing a large amount of data, and then compressing this data to retain the most chemically-relevant information. In contrast, compressed sensing is an emergent technique that makes it possible to measure or compute an amount of data that is roughly proportional to its information content. In particular, compressed sensing enables the recovery of a sparse quantity of information from significantly undersampled data by solving an ℓ 1-optimization problem. This thesis represents the application of compressed sensing to problems in chemistry. The first half of this thesis is about spectroscopy. Compressed sensing is used to accelerate the computation of vibrational and electronic spectra from real-time time-dependent density functional theory simulations. Using compressed sensing as a drop-in replacement for the discrete Fourier transform, well-resolved frequency spectra are obtained at one-fifth the typical simulation time and computational cost. The technique is generalized to multiple dimensions and applied to two-dimensional absorption spectroscopy using experimental data collected on atomic rubidium vapor. Finally, a related technique known as super-resolution is applied to open quantum systems to obtain realistic models of a protein environment, in the form of atomistic spectral densities, at lower computational cost. The second half of this thesis deals with matrices in quantum chemistry. It presents a new use of compressed sensing for more efficient matrix recovery whenever the calculation of individual matrix elements is the computational bottleneck. The technique is applied to the computation of the second-derivative Hessian matrices in electronic structure calculations to obtain the vibrational modes and frequencies of molecules. When applied to anthracene, this technique results in a threefold speed-up, with greater speed-ups possible for larger molecules. The implementation of the method in the Q-Chem commercial software package is described. Moreover, the method provides a general framework for bootstrapping cheap low-accuracy calculations in order to reduce the required number of expensive high-accuracy calculations.

Numerical experiment for ultrasonic-measurement-integrated simulation of three-dimensional unsteady blood flow.

PubMed

Funamoto, Kenichi; Hayase, Toshiyuki; Saijo, Yoshifumi; Yambe, Tomoyuki

2008-08-01

Integration of ultrasonic measurement and numerical simulation is a possible way to break through limitations of existing methods for obtaining complete information on hemodynamics. We herein propose Ultrasonic-Measurement-Integrated (UMI) simulation, in which feedback signals based on the optimal estimation of errors in the velocity vector determined by measured and computed Doppler velocities at feedback points are added to the governing equations. With an eye towards practical implementation of UMI simulation with real measurement data, its efficiency for three-dimensional unsteady blood flow analysis and a method for treating low time resolution of ultrasonic measurement were investigated by a numerical experiment dealing with complicated blood flow in an aneurysm. Even when simplified boundary conditions were applied, the UMI simulation reduced the errors of velocity and pressure to 31% and 53% in the feedback domain which covered the aneurysm, respectively. Local maximum wall shear stress was estimated, showing both the proper position and the value with 1% deviance. A properly designed intermittent feedback applied only at the time when measurement data were obtained had the same computational accuracy as feedback applied at every computational time step. Hence, this feedback method is a possible solution to overcome the insufficient time resolution of ultrasonic measurement.

Nonequilibrium hypersonic flows simulations with asymptotic-preserving Monte Carlo methods

NASA Astrophysics Data System (ADS)

Ren, Wei; Liu, Hong; Jin, Shi

2014-12-01

In the rarefied gas dynamics, the DSMC method is one of the most popular numerical tools. It performs satisfactorily in simulating hypersonic flows surrounding re-entry vehicles and micro-/nano- flows. However, the computational cost is expensive, especially when Kn → 0. Even for flows in the near-continuum regime, pure DSMC simulations require a number of computational efforts for most cases. Albeit several DSMC/NS hybrid methods are proposed to deal with this, those methods still suffer from the boundary treatment, which may cause nonphysical solutions. Filbet and Jin [1] proposed a framework of new numerical methods of Boltzmann equation, called asymptotic preserving schemes, whose computational costs are affordable as Kn → 0. Recently, Ren et al. [2] realized the AP schemes with Monte Carlo methods (AP-DSMC), which have better performance than counterpart methods. In this paper, AP-DSMC is applied in simulating nonequilibrium hypersonic flows. Several numerical results are computed and analyzed to study the efficiency and capability of capturing complicated flow characteristics.

Automated breast segmentation in ultrasound computer tomography SAFT images

NASA Astrophysics Data System (ADS)

Hopp, T.; You, W.; Zapf, M.; Tan, W. Y.; Gemmeke, H.; Ruiter, N. V.

2017-03-01

Ultrasound Computer Tomography (USCT) is a promising new imaging system for breast cancer diagnosis. An essential step before further processing is to remove the water background from the reconstructed images. In this paper we present a fully-automated image segmentation method based on three-dimensional active contours. The active contour method is extended by applying gradient vector flow and encoding the USCT aperture characteristics as additional weighting terms. A surface detection algorithm based on a ray model is developed to initialize the active contour, which is iteratively deformed to capture the breast outline in USCT reflection images. The evaluation with synthetic data showed that the method is able to cope with noisy images, and is not influenced by the position of the breast and the presence of scattering objects within the breast. The proposed method was applied to 14 in-vivo images resulting in an average surface deviation from a manual segmentation of 2.7 mm. We conclude that automated segmentation of USCT reflection images is feasible and produces results comparable to a manual segmentation. By applying the proposed method, reproducible segmentation results can be obtained without manual interaction by an expert.

Cost efficient CFD simulations: Proper selection of domain partitioning strategies

NASA Astrophysics Data System (ADS)

Haddadi, Bahram; Jordan, Christian; Harasek, Michael

2017-10-01

Computational Fluid Dynamics (CFD) is one of the most powerful simulation methods, which is used for temporally and spatially resolved solutions of fluid flow, heat transfer, mass transfer, etc. One of the challenges of Computational Fluid Dynamics is the extreme hardware demand. Nowadays super-computers (e.g. High Performance Computing, HPC) featuring multiple CPU cores are applied for solving-the simulation domain is split into partitions for each core. Some of the different methods for partitioning are investigated in this paper. As a practical example, a new open source based solver was utilized for simulating packed bed adsorption, a common separation method within the field of thermal process engineering. Adsorption can for example be applied for removal of trace gases from a gas stream or pure gases production like Hydrogen. For comparing the performance of the partitioning methods, a 60 million cell mesh for a packed bed of spherical adsorbents was created; one second of the adsorption process was simulated. Different partitioning methods available in OpenFOAM® (Scotch, Simple, and Hierarchical) have been used with different numbers of sub-domains. The effect of the different methods and number of processor cores on the simulation speedup and also energy consumption were investigated for two different hardware infrastructures (Vienna Scientific Clusters VSC 2 and VSC 3). As a general recommendation an optimum number of cells per processor core was calculated. Optimized simulation speed, lower energy consumption and consequently the cost effects are reported here.

A Statistical Approach for the Concurrent Coupling of Molecular Dynamics and Finite Element Methods

NASA Technical Reports Server (NTRS)

Saether, E.; Yamakov, V.; Glaessgen, E.

2007-01-01

Molecular dynamics (MD) methods are opening new opportunities for simulating the fundamental processes of material behavior at the atomistic level. However, increasing the size of the MD domain quickly presents intractable computational demands. A robust approach to surmount this computational limitation has been to unite continuum modeling procedures such as the finite element method (FEM) with MD analyses thereby reducing the region of atomic scale refinement. The challenging problem is to seamlessly connect the two inherently different simulation techniques at their interface. In the present work, a new approach to MD-FEM coupling is developed based on a restatement of the typical boundary value problem used to define a coupled domain. The method uses statistical averaging of the atomistic MD domain to provide displacement interface boundary conditions to the surrounding continuum FEM region, which, in return, generates interface reaction forces applied as piecewise constant traction boundary conditions to the MD domain. The two systems are computationally disconnected and communicate only through a continuous update of their boundary conditions. With the use of statistical averages of the atomistic quantities to couple the two computational schemes, the developed approach is referred to as an embedded statistical coupling method (ESCM) as opposed to a direct coupling method where interface atoms and FEM nodes are individually related. The methodology is inherently applicable to three-dimensional domains, avoids discretization of the continuum model down to atomic scales, and permits arbitrary temperatures to be applied.

Experiences with Probabilistic Analysis Applied to Controlled Systems

NASA Technical Reports Server (NTRS)

Kenny, Sean P.; Giesy, Daniel P.

2004-01-01

This paper presents a semi-analytic method for computing frequency dependent means, variances, and failure probabilities for arbitrarily large-order closed-loop dynamical systems possessing a single uncertain parameter or with multiple highly correlated uncertain parameters. The approach will be shown to not suffer from the same computational challenges associated with computing failure probabilities using conventional FORM/SORM techniques. The approach is demonstrated by computing the probabilistic frequency domain performance of an optimal feed-forward disturbance rejection scheme.

Parallel Implicit Runge-Kutta Methods Applied to Coupled Orbit/Attitude Propagation

NASA Astrophysics Data System (ADS)

Hatten, Noble; Russell, Ryan P.

2017-12-01

A variable-step Gauss-Legendre implicit Runge-Kutta (GLIRK) propagator is applied to coupled orbit/attitude propagation. Concepts previously shown to improve efficiency in 3DOF propagation are modified and extended to the 6DOF problem, including the use of variable-fidelity dynamics models. The impact of computing the stage dynamics of a single step in parallel is examined using up to 23 threads and 22 associated GLIRK stages; one thread is reserved for an extra dynamics function evaluation used in the estimation of the local truncation error. Efficiency is found to peak for typical examples when using approximately 8 to 12 stages for both serial and parallel implementations. Accuracy and efficiency compare favorably to explicit Runge-Kutta and linear-multistep solvers for representative scenarios. However, linear-multistep methods are found to be more efficient for some applications, particularly in a serial computing environment, or when parallelism can be applied across multiple trajectories.

Computer Vision and Machine Learning for Autonomous Characterization of AM Powder Feedstocks

NASA Astrophysics Data System (ADS)

DeCost, Brian L.; Jain, Harshvardhan; Rollett, Anthony D.; Holm, Elizabeth A.

2017-03-01

By applying computer vision and machine learning methods, we develop a system to characterize powder feedstock materials for metal additive manufacturing (AM). Feature detection and description algorithms are applied to create a microstructural scale image representation that can be used to cluster, compare, and analyze powder micrographs. When applied to eight commercial feedstock powders, the system classifies powder images into the correct material systems with greater than 95% accuracy. The system also identifies both representative and atypical powder images. These results suggest the possibility of measuring variations in powders as a function of processing history, relating microstructural features of powders to properties relevant to their performance in AM processes, and defining objective material standards based on visual images. A significant advantage of the computer vision approach is that it is autonomous, objective, and repeatable.

Tracking and Control of a Neutral Particle Beam Using Multiple Model Adaptive Meer Filter.

DTIC Science & Technology

1987-12-01

34 method incorporated by Zicker in 1983 [32]. Once the beam estimation problem had been solved, the problem of beam control was examined. Zicker conducted a...filter. Then, the methods applied by Meer, and later Zicker , to reduce the computational load of a simple Meer filter, will be presented. 2.5.1 Basic...number of possible methods to prune the hypothesis tree and chose the "Best Half Method" as the most viable (21). Zicker [323, applied the work of Weiss

Spatial Brain Control Interface using Optical and Electrophysiological Measures

DTIC Science & Technology

2013-08-27

appropriate for implementing a reliable brain-computer interface ( BCI ). The LSVM method 1. REPORT DATE (DD-MM-YYYY) 4. TITLE AND SUBTITLE 27-08-2013 13...Machine (LSVM) was the most appropriate for implementing a reliable brain-computer interface ( BCI ). The LSVM method was applied to the imaging data...local field potentials proved to be fast and strongly tuned for the spatial parameters of the task. Thus, a reliable BCI that can predict upcoming

Studying Transonic Gases With a Hydraulic Analog

NASA Technical Reports Server (NTRS)

Wagner, W.; Lepore, F.

1986-01-01

Water table for hydraulic-flow research yields valuable information about gas flow at transonic speeds. Used to study fuel and oxidizer flow in high-pressure rocket engines. Method applied to gas flows in such equipment as furnaces, nozzles, and chemical lasers. Especially suitable when wall contours nonuniform, discontinuous, or unusually shaped. Wall shapes changed quickly for study and evaluated on spot. Method used instead of computer simulation when computer models unavailable, inaccurate, or costly to run.

The PDF method for turbulent combustion

NASA Technical Reports Server (NTRS)

Pope, S. B.

1991-01-01

Probability Density Function (PDF) methods provide a means of calculating the properties of turbulent reacting flows. They have been successfully applied to many turbulent flames, including some with finite rate kinetic effects. Here the methods are reviewed with an emphasis on computational issues and their application to turbulent combustion.

Computer Analysis of Electromagnetic Field Exposure Hazard for Space Station Astronauts during Extravehicular Activity

NASA Technical Reports Server (NTRS)

Hwu, Shian U.; Kelley, James S.; Panneton, Robert B.; Arndt, G. Dickey

1995-01-01

In order to estimate the RF radiation hazards to astronauts and electronics equipment due to various Space Station transmitters, the electric fields around the various Space Station antennas are computed using the rigorous Computational Electromagnetics (CEM) techniques. The Method of Moments (MoM) was applied to the UHF and S-band low gain antennas. The Aperture Integration (AI) method and the Geometrical Theory of Diffraction (GTD) method were used to compute the electric field intensities for the S- and Ku-band high gain antennas. As a result of this study, The regions in which the electric fields exceed the specified exposure levels for the Extravehicular Mobility Unit (EMU) electronics equipment and Extravehicular Activity (EVA) astronaut are identified for various Space Station transmitters.

Is scaffold hopping a reliable indicator for the ability of computational methods to identify structurally diverse active compounds?

NASA Astrophysics Data System (ADS)

Dimova, Dilyana; Bajorath, Jürgen

2017-07-01

Computational scaffold hopping aims to identify core structure replacements in active compounds. To evaluate scaffold hopping potential from a principal point of view, regardless of the computational methods that are applied, a global analysis of conventional scaffolds in analog series from compound activity classes was carried out. The majority of analog series was found to contain multiple scaffolds, thus enabling the detection of intra-series scaffold hops among closely related compounds. More than 1000 activity classes were found to contain increasing proportions of multi-scaffold analog series. Thus, using such activity classes for scaffold hopping analysis is likely to overestimate the scaffold hopping (core structure replacement) potential of computational methods, due to an abundance of artificial scaffold hops that are possible within analog series.

Research on Quantum Authentication Methods for the Secure Access Control Among Three Elements of Cloud Computing

NASA Astrophysics Data System (ADS)

Dong, Yumin; Xiao, Shufen; Ma, Hongyang; Chen, Libo

2016-12-01

Cloud computing and big data have become the developing engine of current information technology (IT) as a result of the rapid development of IT. However, security protection has become increasingly important for cloud computing and big data, and has become a problem that must be solved to develop cloud computing. The theft of identity authentication information remains a serious threat to the security of cloud computing. In this process, attackers intrude into cloud computing services through identity authentication information, thereby threatening the security of data from multiple perspectives. Therefore, this study proposes a model for cloud computing protection and management based on quantum authentication, introduces the principle of quantum authentication, and deduces the quantum authentication process. In theory, quantum authentication technology can be applied in cloud computing for security protection. This technology cannot be cloned; thus, it is more secure and reliable than classical methods.

Ensemble Grouping Strategies for Embedded Stochastic Collocation Methods Applied to Anisotropic Diffusion Problems

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

D'Elia, M.; Edwards, H. C.; Hu, J.

Previous work has demonstrated that propagating groups of samples, called ensembles, together through forward simulations can dramatically reduce the aggregate cost of sampling-based uncertainty propagation methods [E. Phipps, M. D'Elia, H. C. Edwards, M. Hoemmen, J. Hu, and S. Rajamanickam, SIAM J. Sci. Comput., 39 (2017), pp. C162--C193]. However, critical to the success of this approach when applied to challenging problems of scientific interest is the grouping of samples into ensembles to minimize the total computational work. For example, the total number of linear solver iterations for ensemble systems may be strongly influenced by which samples form the ensemble whenmore » applying iterative linear solvers to parameterized and stochastic linear systems. In this paper we explore sample grouping strategies for local adaptive stochastic collocation methods applied to PDEs with uncertain input data, in particular canonical anisotropic diffusion problems where the diffusion coefficient is modeled by truncated Karhunen--Loève expansions. Finally, we demonstrate that a measure of the total anisotropy of the diffusion coefficient is a good surrogate for the number of linear solver iterations for each sample and therefore provides a simple and effective metric for grouping samples.« less

Ensemble Grouping Strategies for Embedded Stochastic Collocation Methods Applied to Anisotropic Diffusion Problems

DOE PAGES

D'Elia, M.; Edwards, H. C.; Hu, J.; ...

2018-01-18

Previous work has demonstrated that propagating groups of samples, called ensembles, together through forward simulations can dramatically reduce the aggregate cost of sampling-based uncertainty propagation methods [E. Phipps, M. D'Elia, H. C. Edwards, M. Hoemmen, J. Hu, and S. Rajamanickam, SIAM J. Sci. Comput., 39 (2017), pp. C162--C193]. However, critical to the success of this approach when applied to challenging problems of scientific interest is the grouping of samples into ensembles to minimize the total computational work. For example, the total number of linear solver iterations for ensemble systems may be strongly influenced by which samples form the ensemble whenmore » applying iterative linear solvers to parameterized and stochastic linear systems. In this paper we explore sample grouping strategies for local adaptive stochastic collocation methods applied to PDEs with uncertain input data, in particular canonical anisotropic diffusion problems where the diffusion coefficient is modeled by truncated Karhunen--Loève expansions. Finally, we demonstrate that a measure of the total anisotropy of the diffusion coefficient is a good surrogate for the number of linear solver iterations for each sample and therefore provides a simple and effective metric for grouping samples.« less

Scalable quantum computer architecture with coupled donor-quantum dot qubits

DOEpatents

Schenkel, Thomas; Lo, Cheuk Chi; Weis, Christoph; Lyon, Stephen; Tyryshkin, Alexei; Bokor, Jeffrey

2014-08-26

A quantum bit computing architecture includes a plurality of single spin memory donor atoms embedded in a semiconductor layer, a plurality of quantum dots arranged with the semiconductor layer and aligned with the donor atoms, wherein a first voltage applied across at least one pair of the aligned quantum dot and donor atom controls a donor-quantum dot coupling. A method of performing quantum computing in a scalable architecture quantum computing apparatus includes arranging a pattern of single spin memory donor atoms in a semiconductor layer, forming a plurality of quantum dots arranged with the semiconductor layer and aligned with the donor atoms, applying a first voltage across at least one aligned pair of a quantum dot and donor atom to control a donor-quantum dot coupling, and applying a second voltage between one or more quantum dots to control a Heisenberg exchange J coupling between quantum dots and to cause transport of a single spin polarized electron between quantum dots.

A Decentralized Eigenvalue Computation Method for Spectrum Sensing Based on Average Consensus

NASA Astrophysics Data System (ADS)

Mohammadi, Jafar; Limmer, Steffen; Stańczak, Sławomir

2016-07-01

This paper considers eigenvalue estimation for the decentralized inference problem for spectrum sensing. We propose a decentralized eigenvalue computation algorithm based on the power method, which is referred to as generalized power method GPM; it is capable of estimating the eigenvalues of a given covariance matrix under certain conditions. Furthermore, we have developed a decentralized implementation of GPM by splitting the iterative operations into local and global computation tasks. The global tasks require data exchange to be performed among the nodes. For this task, we apply an average consensus algorithm to efficiently perform the global computations. As a special case, we consider a structured graph that is a tree with clusters of nodes at its leaves. For an accelerated distributed implementation, we propose to use computation over multiple access channel (CoMAC) as a building block of the algorithm. Numerical simulations are provided to illustrate the performance of the two algorithms.

Analysis of a dual-reflector antenna system using physical optics and digital computers

NASA Technical Reports Server (NTRS)

Schmidt, R. F.

1972-01-01

The application of physical-optics diffraction theory to a deployable dual-reflector geometry is discussed. The methods employed are not restricted to the Conical-Gregorian antenna, but apply in a general way to dual and even multiple reflector systems. Complex vector wave methods are used in the Fresnel and Fraunhofer regions of the reflectors. Field amplitude, phase, polarization data, and time average Poynting vectors are obtained via an IBM 360/91 digital computer. Focal region characteristics are plotted with the aid of a CalComp plotter. Comparison between the GSFC Huygens wavelet approach, JPL measurements, and JPL computer results based on the near field spherical wave expansion method are made wherever possible.

26 CFR 1.6655-3 - Adjusted seasonal installment method.

Code of Federal Regulations, 2010 CFR

2010-04-01

... TAX (CONTINUED) INCOME TAXES Additions to the Tax, Additional Amounts, and Assessable Penalties § 1... under § 1.6655-2 apply to the computation of taxable income (and resulting tax) for purposes of... applying to alternative minimum taxable income, tentative minimum tax, and alternative minimum tax, the...

The ensemble switch method for computing interfacial tensions

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

Schmitz, Fabian; Virnau, Peter

2015-04-14

We present a systematic thermodynamic integration approach to compute interfacial tensions for solid-liquid interfaces, which is based on the ensemble switch method. Applying Monte Carlo simulations and finite-size scaling techniques, we obtain results for hard spheres, which are in agreement with previous computations. The case of solid-liquid interfaces in a variant of the effective Asakura-Oosawa model and of liquid-vapor interfaces in the Lennard-Jones model are discussed as well. We demonstrate that a thorough finite-size analysis of the simulation data is required to obtain precise results for the interfacial tension.

Linear stability analysis of detonations via numerical computation and dynamic mode decomposition

NASA Astrophysics Data System (ADS)

Kabanov, Dmitry I.; Kasimov, Aslan R.

2018-03-01

We introduce a new method to investigate linear stability of gaseous detonations that is based on an accurate shock-fitting numerical integration of the linearized reactive Euler equations with a subsequent analysis of the computed solution via the dynamic mode decomposition. The method is applied to the detonation models based on both the standard one-step Arrhenius kinetics and two-step exothermic-endothermic reaction kinetics. Stability spectra for all cases are computed and analyzed. The new approach is shown to be a viable alternative to the traditional normal-mode analysis used in detonation theory.

Applying Standard Interfaces to a Process-Control Language

NASA Technical Reports Server (NTRS)

Berthold, Richard T.

2005-01-01

A method of applying open-operating-system standard interfaces to the NASA User Interface Language (UIL) has been devised. UIL is a computing language that can be used in monitoring and controlling automated processes: for example, the Timeliner computer program, written in UIL, is a general-purpose software system for monitoring and controlling sequences of automated tasks in a target system. In providing the major elements of connectivity between UIL and the target system, the present method offers advantages over the prior method. Most notably, unlike in the prior method, the software description of the target system can be made independent of the applicable compiler software and need not be linked to the applicable executable compiler image. Also unlike in the prior method, it is not necessary to recompile the source code and relink the source code to a new executable compiler image. Abstraction of the description of the target system to a data file can be defined easily, with intuitive syntax, and knowledge of the source-code language is not needed for the definition.

Arctic curves in path models from the tangent method

NASA Astrophysics Data System (ADS)

Di Francesco, Philippe; Lapa, Matthew F.

2018-04-01

Recently, Colomo and Sportiello introduced a powerful method, known as the tangent method, for computing the arctic curve in statistical models which have a (non- or weakly-) intersecting lattice path formulation. We apply the tangent method to compute arctic curves in various models: the domino tiling of the Aztec diamond for which we recover the celebrated arctic circle; a model of Dyck paths equivalent to the rhombus tiling of a half-hexagon for which we find an arctic half-ellipse; another rhombus tiling model with an arctic parabola; the vertically symmetric alternating sign matrices, where we find the same arctic curve as for unconstrained alternating sign matrices. The latter case involves lattice paths that are non-intersecting but that are allowed to have osculating contact points, for which the tangent method was argued to still apply. For each problem we estimate the large size asymptotics of a certain one-point function using LU decomposition of the corresponding Gessel–Viennot matrices, and a reformulation of the result amenable to asymptotic analysis.

Virtual viewpoint synthesis in multi-view video system

NASA Astrophysics Data System (ADS)

Li, Fang; Yang, Shiqiang

2005-07-01

In this paper, we present a virtual viewpoint video synthesis algorithm to satisfy the following three aims: low computing consuming; real time interpolation and acceptable video quality. In contrast with previous technologies, this method obtain incompletely 3D structure using neighbor video sources instead of getting total 3D information with all video sources, so that the computation is reduced greatly. So we demonstrate our interactive multi-view video synthesis algorithm in a personal computer. Furthermore, adopting the method of choosing feature points to build the correspondence between the frames captured by neighbor cameras, we need not require camera calibration. Finally, our method can be used when the angle between neighbor cameras is 25-30 degrees that it is much larger than common computer vision experiments. In this way, our method can be applied into many applications such as sports live, video conference, etc.

Automated image quality assessment for chest CT scans.

PubMed

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

2018-02-01

Medical image quality needs to be maintained at standards sufficient for effective clinical reading. Automated computer analytic methods may be applied to medical images for quality assessment. For chest CT scans in a lung cancer screening context, an automated quality assessment method is presented that characterizes image noise and image intensity calibration. This is achieved by image measurements in three automatically segmented homogeneous regions of the scan: external air, trachea lumen air, and descending aorta blood. Profiles of CT scanner behavior are also computed. The method has been evaluated on both phantom and real low-dose chest CT scans and results show that repeatable noise and calibration measures may be realized by automated computer algorithms. Noise and calibration profiles show relevant differences between different scanners and protocols. Automated image quality assessment may be useful for quality control for lung cancer screening and may enable performance improvements to automated computer analysis methods. © 2017 American Association of Physicists in Medicine.

Existence and instability of steady states for a triangular cross-diffusion system: A computer-assisted proof

NASA Astrophysics Data System (ADS)

Breden, Maxime; Castelli, Roberto

2018-05-01

In this paper, we present and apply a computer-assisted method to study steady states of a triangular cross-diffusion system. Our approach consist in an a posteriori validation procedure, that is based on using a fixed point argument around a numerically computed solution, in the spirit of the Newton-Kantorovich theorem. It allows to prove the existence of various non homogeneous steady states for different parameter values. In some situations, we obtain as many as 13 coexisting steady states. We also apply the a posteriori validation procedure to study the linear stability of the obtained steady states, proving that many of them are in fact unstable.

A method for the computational modeling of the physics of heart murmurs

NASA Astrophysics Data System (ADS)

Seo, Jung Hee; Bakhshaee, Hani; Garreau, Guillaume; Zhu, Chi; Andreou, Andreas; Thompson, William R.; Mittal, Rajat

2017-05-01

A computational method for direct simulation of the generation and propagation of blood flow induced sounds is proposed. This computational hemoacoustic method is based on the immersed boundary approach and employs high-order finite difference methods to resolve wave propagation and scattering accurately. The current method employs a two-step, one-way coupled approach for the sound generation and its propagation through the tissue. The blood flow is simulated by solving the incompressible Navier-Stokes equations using the sharp-interface immersed boundary method, and the equations corresponding to the generation and propagation of the three-dimensional elastic wave corresponding to the murmur are resolved with a high-order, immersed boundary based, finite-difference methods in the time-domain. The proposed method is applied to a model problem of aortic stenosis murmur and the simulation results are verified and validated by comparing with known solutions as well as experimental measurements. The murmur propagation in a realistic model of a human thorax is also simulated by using the computational method. The roles of hemodynamics and elastic wave propagation on the murmur are discussed based on the simulation results.

Parallel computation using boundary elements in solid mechanics

NASA Technical Reports Server (NTRS)

Chien, L. S.; Sun, C. T.

1990-01-01

The inherent parallelism of the boundary element method is shown. The boundary element is formulated by assuming the linear variation of displacements and tractions within a line element. Moreover, MACSYMA symbolic program is employed to obtain the analytical results for influence coefficients. Three computational components are parallelized in this method to show the speedup and efficiency in computation. The global coefficient matrix is first formed concurrently. Then, the parallel Gaussian elimination solution scheme is applied to solve the resulting system of equations. Finally, and more importantly, the domain solutions of a given boundary value problem are calculated simultaneously. The linear speedups and high efficiencies are shown for solving a demonstrated problem on Sequent Symmetry S81 parallel computing system.

Parametric Representation of the Speaker's Lips for Multimodal Sign Language and Speech Recognition

NASA Astrophysics Data System (ADS)

Ryumin, D.; Karpov, A. A.

2017-05-01

In this article, we propose a new method for parametric representation of human's lips region. The functional diagram of the method is described and implementation details with the explanation of its key stages and features are given. The results of automatic detection of the regions of interest are illustrated. A speed of the method work using several computers with different performances is reported. This universal method allows applying parametrical representation of the speaker's lipsfor the tasks of biometrics, computer vision, machine learning, and automatic recognition of face, elements of sign languages, and audio-visual speech, including lip-reading.

Boundary element analysis of post-tensioned slabs

NASA Astrophysics Data System (ADS)

Rashed, Youssef F.

2015-06-01

In this paper, the boundary element method is applied to carry out the structural analysis of post-tensioned flat slabs. The shear-deformable plate-bending model is employed. The effect of the pre-stressing cables is taken into account via the equivalent load method. The formulation is automated using a computer program, which uses quadratic boundary elements. Verification samples are presented, and finally a practical application is analyzed where results are compared against those obtained from the finite element method. The proposed method is efficient in terms of computer storage and processing time as well as the ease in data input and modifications.

A virtual computer lab for distance biomedical technology education.

PubMed

Locatis, Craig; Vega, Anibal; Bhagwat, Medha; Liu, Wei-Li; Conde, Jose

2008-03-13

The National Library of Medicine's National Center for Biotechnology Information offers mini-courses which entail applying concepts in biochemistry and genetics to search genomics databases and other information sources. They are highly interactive and involve use of 3D molecular visualization software that can be computationally taxing. Methods were devised to offer the courses at a distance so as to provide as much functionality of a computer lab as possible, the venue where they are normally taught. The methods, which can be employed with varied videoconferencing technology and desktop sharing software, were used to deliver mini-courses at a distance in pilot applications where students could see demonstrations by the instructor and the instructor could observe and interact with students working at their remote desktops. Student ratings of the learning experience and comments to open ended questions were similar to those when the courses are offered face to face. The real time interaction and the instructor's ability to access student desktops from a distance in order to provide individual assistance and feedback were considered invaluable. The technologies and methods mimic much of the functionality of computer labs and may be usefully applied in any context where content changes frequently, training needs to be offered on complex computer applications at a distance in real time, and where it is necessary for the instructor to monitor students as they work.

Approximated maximum likelihood estimation in multifractal random walks

NASA Astrophysics Data System (ADS)

Løvsletten, O.; Rypdal, M.

2012-04-01

We present an approximated maximum likelihood method for the multifractal random walk processes of [E. Bacry , Phys. Rev. EPLEEE81539-375510.1103/PhysRevE.64.026103 64, 026103 (2001)]. The likelihood is computed using a Laplace approximation and a truncation in the dependency structure for the latent volatility. The procedure is implemented as a package in the r computer language. Its performance is tested on synthetic data and compared to an inference approach based on the generalized method of moments. The method is applied to estimate parameters for various financial stock indices.

Asthma management simulation for children: translating theory, methods, and strategies to effect behavior change.

PubMed

Shegog, Ross; Bartholomew, L Kay; Gold, Robert S; Pierrel, Elaine; Parcel, Guy S; Sockrider, Marianna M; Czyzewski, Danita I; Fernandez, Maria E; Berlin, Nina J; Abramson, Stuart

2006-01-01

Translating behavioral theories, models, and strategies to guide the development and structure of computer-based health applications is well recognized, although a continued challenge for program developers. A stepped approach to translate behavioral theory in the design of simulations to teach chronic disease management to children is described. This includes the translation steps to: 1) define target behaviors and their determinants, 2) identify theoretical methods to optimize behavioral change, and 3) choose educational strategies to effectively apply these methods and combine these into a cohesive computer-based simulation for health education. Asthma is used to exemplify a chronic health management problem and a computer-based asthma management simulation (Watch, Discover, Think and Act) that has been evaluated and shown to effect asthma self-management in children is used to exemplify the application of theory to practice. Impact and outcome evaluation studies have indicated the effectiveness of these steps in providing increased rigor and accountability, suggesting their utility for educators and developers seeking to apply simulations to enhance self-management behaviors in patients.

A convolution model for computing the far-field directivity of a parametric loudspeaker array.

PubMed

Shi, Chuang; Kajikawa, Yoshinobu

2015-02-01

This paper describes a method to compute the far-field directivity of a parametric loudspeaker array (PLA), whereby the steerable parametric loudspeaker can be implemented when phased array techniques are applied. The convolution of the product directivity and the Westervelt's directivity is suggested, substituting for the past practice of using the product directivity only. Computed directivity of a PLA using the proposed convolution model achieves significant improvement in agreement to measured directivity at a negligible computational cost.

A method to efficiently apply a biogeochemical model to a landscape.

Treesearch

Robert E. Kennedy; David P. Turner; Warren B. Cohen; Michael Guzy

2006-01-01

Biogeochemical models offer an important means of understanding carbon dynamics, but the computational complexity of many models means that modeling all grid cells on a large landscape is computationally burdensome. Because most biogeochemical models ignore adjacency effects between cells, however, a more efficient approach is possible. Recognizing that spatial...

Investigation of the Behavior of Thin-Walled Panels with Cutouts

NASA Technical Reports Server (NTRS)

Podorozhny, A. A.

1946-01-01

The present paper deals with the computation and methods of reinforcement of stiffened panels with cutouts under bending loads such as are applied to the sides of a fuselage. A comparison is maade between the computed and test results. Results are presented of tests on panels with cutouts under tensile and compressive loads.

A Formal Construction of Term Classes. Technical Report No. TR73-18.

ERIC Educational Resources Information Center

Yu, Clement T.

The computational complexity of a formal process for the construction of term classes for information retrieval is examined. While the process is proven to be difficult computationally, heuristic methods are applied. Experimental results are obtained to illustrate the maximum possible improvement in system performance of retrieval using the formal…

26 CFR 1.9002-1 - Purpose, applicability, and definitions.

Code of Federal Regulations, 2013 CFR

2013-04-01

... elect to have its provisions apply with two alternatives for accounting for the adjustments to income..., for his most recent taxable year ending on or before June 22, 1959, (1) computed, or been required to compute, taxable income under an accrual method of accounting, and (2) treated dealer reserve income (or...

26 CFR 1.9002-1 - Purpose, applicability, and definitions.

Code of Federal Regulations, 2014 CFR

2014-04-01

... elect to have its provisions apply with two alternatives for accounting for the adjustments to income..., for his most recent taxable year ending on or before June 22, 1959, (1) computed, or been required to compute, taxable income under an accrual method of accounting, and (2) treated dealer reserve income (or...

26 CFR 1.9002-1 - Purpose, applicability, and definitions.

Code of Federal Regulations, 2012 CFR

2012-04-01

... elect to have its provisions apply with two alternatives for accounting for the adjustments to income..., for his most recent taxable year ending on or before June 22, 1959, (1) computed, or been required to compute, taxable income under an accrual method of accounting, and (2) treated dealer reserve income (or...

26 CFR 1.9002-1 - Purpose, applicability, and definitions.

Code of Federal Regulations, 2011 CFR

2011-04-01

... elect to have its provisions apply with two alternatives for accounting for the adjustments to income..., for his most recent taxable year ending on or before June 22, 1959, (1) computed, or been required to compute, taxable income under an accrual method of accounting, and (2) treated dealer reserve income (or...

A heterogeneous computing accelerated SCE-UA global optimization method using OpenMP, OpenCL, CUDA, and OpenACC.

PubMed

Kan, Guangyuan; He, Xiaoyan; Ding, Liuqian; Li, Jiren; Liang, Ke; Hong, Yang

2017-10-01

The shuffled complex evolution optimization developed at the University of Arizona (SCE-UA) has been successfully applied in various kinds of scientific and engineering optimization applications, such as hydrological model parameter calibration, for many years. The algorithm possesses good global optimality, convergence stability and robustness. However, benchmark and real-world applications reveal the poor computational efficiency of the SCE-UA. This research aims at the parallelization and acceleration of the SCE-UA method based on powerful heterogeneous computing technology. The parallel SCE-UA is implemented on Intel Xeon multi-core CPU (by using OpenMP and OpenCL) and NVIDIA Tesla many-core GPU (by using OpenCL, CUDA, and OpenACC). The serial and parallel SCE-UA were tested based on the Griewank benchmark function. Comparison results indicate the parallel SCE-UA significantly improves computational efficiency compared to the original serial version. The OpenCL implementation obtains the best overall acceleration results however, with the most complex source code. The parallel SCE-UA has bright prospects to be applied in real-world applications.

A Workshop on the Integration of Numerical and Symbolic Computing Methods Held in Saratoga Springs, New York on July 9-11, 1990

DTIC Science & Technology

1991-04-01

SUMMARY OF COMPLETED PROJECT (for public use) The summary (about 200 words) must be self-contained and intellegible to a scientifically literate reader...dialogue among re- searchers in symbolic methods and numerical computation, and their appli- cations in certain disciplines of artificial intelligence...Lozano-Perez Purdue University Artificial Intelligence Laboratory West Lafayette, IN 47907 Massachusetts Institute of Technology (317) 494-6181 545

A Simplified Guidance for Target Missiles Used in Ballistic Missile Defence Evaluation

NASA Astrophysics Data System (ADS)

Prabhakar, N.; Kumar, I. D.; Tata, S. K.; Vaithiyanathan, V.

2013-01-01

A simplified guidance scheme for the target missiles used in Ballistic Missile Defence is presented in this paper. The proposed method has two major components, a Ground Guidance Computation (GGC) and an In-Flight Guidance Computation. The GGC which runs on the ground uses a missile model to generate attitude history in pitch plane and computes launch azimuth of the missile to compensate for the effect of earth rotation. The vehicle follows the pre launch computed attitude (theta) history in pitch plane and also applies the course correction in azimuth plane based on its deviation from the pre launch computed azimuth plane. This scheme requires less computations and counters In-flight disturbances such as wind, gust etc. quite efficiently. The simulation results show that the proposed method provides the satisfactory performance and robustness.

The construction of a two-dimensional reproducing kernel function and its application in a biomedical model.

PubMed

Guo, Qi; Shen, Shu-Ting

2016-04-29

There are two major classes of cardiac tissue models: the ionic model and the FitzHugh-Nagumo model. During computer simulation, each model entails solving a system of complex ordinary differential equations and a partial differential equation with non-flux boundary conditions. The reproducing kernel method possesses significant applications in solving partial differential equations. The derivative of the reproducing kernel function is a wavelet function, which has local properties and sensitivities to singularity. Therefore, study on the application of reproducing kernel would be advantageous. Applying new mathematical theory to the numerical solution of the ventricular muscle model so as to improve its precision in comparison with other methods at present. A two-dimensional reproducing kernel function inspace is constructed and applied in computing the solution of two-dimensional cardiac tissue model by means of the difference method through time and the reproducing kernel method through space. Compared with other methods, this method holds several advantages such as high accuracy in computing solutions, insensitivity to different time steps and a slow propagation speed of error. It is suitable for disorderly scattered node systems without meshing, and can arbitrarily change the location and density of the solution on different time layers. The reproducing kernel method has higher solution accuracy and stability in the solutions of the two-dimensional cardiac tissue model.

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.

The discounting model selector: Statistical software for delay discounting applications.

PubMed

Gilroy, Shawn P; Franck, Christopher T; Hantula, Donald A

2017-05-01

Original, open-source computer software was developed and validated against established delay discounting methods in the literature. The software executed approximate Bayesian model selection methods from user-supplied temporal discounting data and computed the effective delay 50 (ED50) from the best performing model. Software was custom-designed to enable behavior analysts to conveniently apply recent statistical methods to temporal discounting data with the aid of a graphical user interface (GUI). The results of independent validation of the approximate Bayesian model selection methods indicated that the program provided results identical to that of the original source paper and its methods. Monte Carlo simulation (n = 50,000) confirmed that true model was selected most often in each setting. Simulation code and data for this study were posted to an online repository for use by other researchers. The model selection approach was applied to three existing delay discounting data sets from the literature in addition to the data from the source paper. Comparisons of model selected ED50 were consistent with traditional indices of discounting. Conceptual issues related to the development and use of computer software by behavior analysts and the opportunities afforded by free and open-sourced software are discussed and a review of possible expansions of this software are provided. © 2017 Society for the Experimental Analysis of Behavior.

Navier-Stokes computations with finite-rate chemistry for LO2/LH2 rocket engine plume flow studies

NASA Technical Reports Server (NTRS)

Dougherty, N. Sam; Liu, Baw-Lin

1991-01-01

Computational fluid dynamics methods have been developed and applied to Space Shuttle Main Engine LO2/LH2 plume flow simulation/analysis of airloading and convective base heating effects on the vehicle at high flight velocities and altitudes. New methods are described which were applied to the simulation of a Return-to-Launch-Site abort where the vehicle would fly briefly at negative angles of attack into its own plume. A simplified two-perfect-gases-mixing approach is used where one gas is the plume and the other is air at 180-deg and 135-deg flight angle of attack. Related research has resulted in real gas multiple-plume interaction methods with finite-rate chemistry described herein which are applied to the same high-altitude-flight conditions of 0 deg angle of attack. Continuing research plans are to study Orbiter wake/plume flows at several Mach numbers and altitudes during ascent and then to merge this model with the Shuttle 'nose-to-tail' aerodynamic and SRB plume models for an overall 'nose-to-plume' capability. These new methods are also applicable to future launch vehicles using clustered-engine LO2/LH2 propulsion.

Applying Ancestry and Sex Computation as a Quality Control Tool in Targeted Next-Generation Sequencing.

PubMed

Mathias, Patrick C; Turner, Emily H; Scroggins, Sheena M; Salipante, Stephen J; Hoffman, Noah G; Pritchard, Colin C; Shirts, Brian H

2016-03-01

To apply techniques for ancestry and sex computation from next-generation sequencing (NGS) data as an approach to confirm sample identity and detect sample processing errors. We combined a principal component analysis method with k-nearest neighbors classification to compute the ancestry of patients undergoing NGS testing. By combining this calculation with X chromosome copy number data, we determined the sex and ancestry of patients for comparison with self-report. We also modeled the sensitivity of this technique in detecting sample processing errors. We applied this technique to 859 patient samples with reliable self-report data. Our k-nearest neighbors ancestry screen had an accuracy of 98.7% for patients reporting a single ancestry. Visual inspection of principal component plots was consistent with self-report in 99.6% of single-ancestry and mixed-ancestry patients. Our model demonstrates that approximately two-thirds of potential sample swaps could be detected in our patient population using this technique. Patient ancestry can be estimated from NGS data incidentally sequenced in targeted panels, enabling an inexpensive quality control method when coupled with patient self-report. © American Society for Clinical Pathology, 2016. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

A Semisupervised Support Vector Machines Algorithm for BCI Systems

PubMed Central

Qin, Jianzhao; Li, Yuanqing; Sun, Wei

2007-01-01

As an emerging technology, brain-computer interfaces (BCIs) bring us new communication interfaces which translate brain activities into control signals for devices like computers, robots, and so forth. In this study, we propose a semisupervised support vector machine (SVM) algorithm for brain-computer interface (BCI) systems, aiming at reducing the time-consuming training process. In this algorithm, we apply a semisupervised SVM for translating the features extracted from the electrical recordings of brain into control signals. This SVM classifier is built from a small labeled data set and a large unlabeled data set. Meanwhile, to reduce the time for training semisupervised SVM, we propose a batch-mode incremental learning method, which can also be easily applied to the online BCI systems. Additionally, it is suggested in many studies that common spatial pattern (CSP) is very effective in discriminating two different brain states. However, CSP needs a sufficient labeled data set. In order to overcome the drawback of CSP, we suggest a two-stage feature extraction method for the semisupervised learning algorithm. We apply our algorithm to two BCI experimental data sets. The offline data analysis results demonstrate the effectiveness of our algorithm. PMID:18368141

Eigenmode computation of cavities with perturbed geometry using matrix perturbation methods applied on generalized eigenvalue problems

NASA Astrophysics Data System (ADS)

Gorgizadeh, Shahnam; Flisgen, Thomas; van Rienen, Ursula

2018-07-01

Generalized eigenvalue problems are standard problems in computational sciences. They may arise in electromagnetic fields from the discretization of the Helmholtz equation by for example the finite element method (FEM). Geometrical perturbations of the structure under concern lead to a new generalized eigenvalue problems with different system matrices. Geometrical perturbations may arise by manufacturing tolerances, harsh operating conditions or during shape optimization. Directly solving the eigenvalue problem for each perturbation is computationally costly. The perturbed eigenpairs can be approximated using eigenpair derivatives. Two common approaches for the calculation of eigenpair derivatives, namely modal superposition method and direct algebraic methods, are discussed in this paper. Based on the direct algebraic methods an iterative algorithm is developed for efficiently calculating the eigenvalues and eigenvectors of the perturbed geometry from the eigenvalues and eigenvectors of the unperturbed geometry.

A survey of methods for the evaluation of tissue engineering scaffold permeability.

PubMed

Pennella, F; Cerino, G; Massai, D; Gallo, D; Falvo D'Urso Labate, G; Schiavi, A; Deriu, M A; Audenino, A; Morbiducci, Umberto

2013-10-01

The performance of porous scaffolds for tissue engineering (TE) applications is evaluated, in general, in terms of porosity, pore size and distribution, and pore tortuosity. These descriptors are often confounding when they are applied to characterize transport phenomena within porous scaffolds. On the contrary, permeability is a more effective parameter in (1) estimating mass and species transport through the scaffold and (2) describing its topological features, thus allowing a better evaluation of the overall scaffold performance. However, the evaluation of TE scaffold permeability suffers of a lack of uniformity and standards in measurement and testing procedures which makes the comparison of results obtained in different laboratories unfeasible. In this review paper we summarize the most important features influencing TE scaffold permeability, linking them to the theoretical background. An overview of methods applied for TE scaffold permeability evaluation is given, presenting experimental test benches and computational methods applied (1) to integrate experimental measurements and (2) to support the TE scaffold design process. Both experimental and computational limitations in the permeability evaluation process are also discussed.

A General Introduction of the Earthquake Early Warning System Technology Developed in China

NASA Astrophysics Data System (ADS)

Wang, T.

2015-12-01

Since the Wenchuan earthquake in 2008, a dramatic progress on earthquake early warning (EEW) has been made by Institute of Care-life (ICL) in China. The research on EEW by ICL covers choosing appropriate sensors, methods of installing the sensors, data automatic process methods of the seismic waves for EEW, methods of applying of EEW warnings for public, schools and life-line projects. ICL innovatively applies distributed computing and cloud computing technology. So far, ICL has deployed over 5500 EEW sensors in China, which is 5 times the number of EEW sensors in Japan, covering more than 2.1 million square kilometers. Since June, 2011, over 5000 earthquakes, with 28 of them are destructive quakes, have triggered the EEWS with no false alert. The root mean square (RMS) error of the magnitude for the 28 destructive quakes is 0.32. In addition, innovative work is done to suppress false alarm and miss alarm, which pushes forward the application of EEW in China. The technology is also being applied in Nepal now.

ICASE semiannual report, April 1 - September 30, 1989

NASA Technical Reports Server (NTRS)

1990-01-01

The Institute conducts unclassified basic research in applied mathematics, numerical analysis, and computer science in order to extend and improve problem-solving capabilities in science and engineering, particularly in aeronautics and space. The major categories of the current Institute for Computer Applications in Science and Engineering (ICASE) research program are: (1) numerical methods, with particular emphasis on the development and analysis of basic numerical algorithms; (2) control and parameter identification problems, with emphasis on effective numerical methods; (3) computational problems in engineering and the physical sciences, particularly fluid dynamics, acoustics, and structural analysis; and (4) computer systems and software, especially vector and parallel computers. ICASE reports are considered to be primarily preprints of manuscripts that have been submitted to appropriate research journals or that are to appear in conference proceedings.

Human Inspired Self-developmental Model of Neural Network (HIM): Introducing Content/Form Computing

NASA Astrophysics Data System (ADS)

Krajíček, Jiří

This paper presents cross-disciplinary research between medical/psychological evidence on human abilities and informatics needs to update current models in computer science to support alternative methods for computation and communication. In [10] we have already proposed hypothesis introducing concept of human information model (HIM) as cooperative system. Here we continue on HIM design in detail. In our design, first we introduce Content/Form computing system which is new principle of present methods in evolutionary computing (genetic algorithms, genetic programming). Then we apply this system on HIM (type of artificial neural network) model as basic network self-developmental paradigm. Main inspiration of our natural/human design comes from well known concept of artificial neural networks, medical/psychological evidence and Sheldrake theory of "Nature as Alive" [22].

Implementation of Steiner point of fuzzy set.

PubMed

Liang, Jiuzhen; Wang, Dejiang

2014-01-01

This paper deals with the implementation of Steiner point of fuzzy set. Some definitions and properties of Steiner point are investigated and extended to fuzzy set. This paper focuses on establishing efficient methods to compute Steiner point of fuzzy set. Two strategies of computing Steiner point of fuzzy set are proposed. One is called linear combination of Steiner points computed by a series of crisp α-cut sets of the fuzzy set. The other is an approximate method, which is trying to find the optimal α-cut set approaching the fuzzy set. Stability analysis of Steiner point of fuzzy set is also studied. Some experiments on image processing are given, in which the two methods are applied for implementing Steiner point of fuzzy image, and both strategies show their own advantages in computing Steiner point of fuzzy set.

An Improved Azimuth Angle Estimation Method with a Single Acoustic Vector Sensor Based on an Active Sonar Detection System.

PubMed

Zhao, Anbang; Ma, Lin; Ma, Xuefei; Hui, Juan

2017-02-20

In this paper, an improved azimuth angle estimation method with a single acoustic vector sensor (AVS) is proposed based on matched filtering theory. The proposed method is mainly applied in an active sonar detection system. According to the conventional passive method based on complex acoustic intensity measurement, the mathematical and physical model of this proposed method is described in detail. The computer simulation and lake experiments results indicate that this method can realize the azimuth angle estimation with high precision by using only a single AVS. Compared with the conventional method, the proposed method achieves better estimation performance. Moreover, the proposed method does not require complex operations in frequencydomain and achieves computational complexity reduction.

A single-stage flux-corrected transport algorithm for high-order finite-volume methods

DOE PAGES

Chaplin, Christopher; Colella, Phillip

2017-05-08

We present a new limiter method for solving the advection equation using a high-order, finite-volume discretization. The limiter is based on the flux-corrected transport algorithm. Here, we modify the classical algorithm by introducing a new computation for solution bounds at smooth extrema, as well as improving the preconstraint on the high-order fluxes. We compute the high-order fluxes via a method-of-lines approach with fourth-order Runge-Kutta as the time integrator. For computing low-order fluxes, we select the corner-transport upwind method due to its improved stability over donor-cell upwind. Several spatial differencing schemes are investigated for the high-order flux computation, including centered- differencemore » and upwind schemes. We show that the upwind schemes perform well on account of the dissipation of high-wavenumber components. The new limiter method retains high-order accuracy for smooth solutions and accurately captures fronts in discontinuous solutions. Further, we need only apply the limiter once per complete time step.« less

POSTPROCESSING MIXED FINITE ELEMENT METHODS FOR SOLVING CAHN-HILLIARD EQUATION: METHODS AND ERROR ANALYSIS

PubMed Central

Wang, Wansheng; Chen, Long; Zhou, Jie

2015-01-01

A postprocessing technique for mixed finite element methods for the Cahn-Hilliard equation is developed and analyzed. Once the mixed finite element approximations have been computed at a fixed time on the coarser mesh, the approximations are postprocessed by solving two decoupled Poisson equations in an enriched finite element space (either on a finer grid or a higher-order space) for which many fast Poisson solvers can be applied. The nonlinear iteration is only applied to a much smaller size problem and the computational cost using Newton and direct solvers is negligible compared with the cost of the linear problem. The analysis presented here shows that this technique remains the optimal rate of convergence for both the concentration and the chemical potential approximations. The corresponding error estimate obtained in our paper, especially the negative norm error estimates, are non-trivial and different with the existing results in the literatures. PMID:27110063

Monte Carlo estimation of total variation distance of Markov chains on large spaces, with application to phylogenetics.

PubMed

Herbei, Radu; Kubatko, Laura

2013-03-26

Markov chains are widely used for modeling in many areas of molecular biology and genetics. As the complexity of such models advances, it becomes increasingly important to assess the rate at which a Markov chain converges to its stationary distribution in order to carry out accurate inference. A common measure of convergence to the stationary distribution is the total variation distance, but this measure can be difficult to compute when the state space of the chain is large. We propose a Monte Carlo method to estimate the total variation distance that can be applied in this situation, and we demonstrate how the method can be efficiently implemented by taking advantage of GPU computing techniques. We apply the method to two Markov chains on the space of phylogenetic trees, and discuss the implications of our findings for the development of algorithms for phylogenetic inference.

Human-computer interface including haptically controlled interactions

DOEpatents

Anderson, Thomas G.

2005-10-11

The present invention provides a method of human-computer interfacing that provides haptic feedback to control interface interactions such as scrolling or zooming within an application. Haptic feedback in the present method allows the user more intuitive control of the interface interactions, and allows the user's visual focus to remain on the application. The method comprises providing a control domain within which the user can control interactions. For example, a haptic boundary can be provided corresponding to scrollable or scalable portions of the application domain. The user can position a cursor near such a boundary, feeling its presence haptically (reducing the requirement for visual attention for control of scrolling of the display). The user can then apply force relative to the boundary, causing the interface to scroll the domain. The rate of scrolling can be related to the magnitude of applied force, providing the user with additional intuitive, non-visual control of scrolling.

Study of thermodynamic properties of liquid binary alloys by a pseudopotential method

NASA Astrophysics Data System (ADS)

Vora, Aditya M.

2010-11-01

On the basis of the Percus-Yevick hard-sphere model as a reference system and the Gibbs-Bogoliubov inequality, a thermodynamic perturbation method is applied with the use of the well-known model potential. By applying a variational method, the hard-core diameters are found which correspond to a minimum free energy. With this procedure, the thermodynamic properties such as the internal energy, entropy, Helmholtz free energy, entropy of mixing, and heat of mixing are computed for liquid NaK binary systems. The influence of the local-field correction functions of Hartree, Taylor, Ichimaru-Utsumi, Farid-Heine-Engel-Robertson, and Sarkar-Sen-Haldar-Roy is also investigated. The computed excess entropy is in agreement with available experimental data in the case of liquid alloys, whereas the agreement for the heat of mixing is poor. This may be due to the sensitivity of the latter to the potential parameters and dielectric function.

Performance analysis of the FDTD method applied to holographic volume gratings: Multi-core CPU versus GPU computing

NASA Astrophysics Data System (ADS)

Francés, J.; Bleda, S.; Neipp, C.; Márquez, A.; Pascual, I.; Beléndez, A.

2013-03-01

The finite-difference time-domain method (FDTD) allows electromagnetic field distribution analysis as a function of time and space. The method is applied to analyze holographic volume gratings (HVGs) for the near-field distribution at optical wavelengths. Usually, this application requires the simulation of wide areas, which implies more memory and time processing. In this work, we propose a specific implementation of the FDTD method including several add-ons for a precise simulation of optical diffractive elements. Values in the near-field region are computed considering the illumination of the grating by means of a plane wave for different angles of incidence and including absorbing boundaries as well. We compare the results obtained by FDTD with those obtained using a matrix method (MM) applied to diffraction gratings. In addition, we have developed two optimized versions of the algorithm, for both CPU and GPU, in order to analyze the improvement of using the new NVIDIA Fermi GPU architecture versus highly tuned multi-core CPU as a function of the size simulation. In particular, the optimized CPU implementation takes advantage of the arithmetic and data transfer streaming SIMD (single instruction multiple data) extensions (SSE) included explicitly in the code and also of multi-threading by means of OpenMP directives. A good agreement between the results obtained using both FDTD and MM methods is obtained, thus validating our methodology. Moreover, the performance of the GPU is compared to the SSE+OpenMP CPU implementation, and it is quantitatively determined that a highly optimized CPU program can be competitive for a wider range of simulation sizes, whereas GPU computing becomes more powerful for large-scale simulations.

A numerical study of different projection-based model reduction techniques applied to computational homogenisation

NASA Astrophysics Data System (ADS)

Soldner, Dominic; Brands, Benjamin; Zabihyan, Reza; Steinmann, Paul; Mergheim, Julia

2017-10-01

Computing the macroscopic material response of a continuum body commonly involves the formulation of a phenomenological constitutive model. However, the response is mainly influenced by the heterogeneous microstructure. Computational homogenisation can be used to determine the constitutive behaviour on the macro-scale by solving a boundary value problem at the micro-scale for every so-called macroscopic material point within a nested solution scheme. Hence, this procedure requires the repeated solution of similar microscopic boundary value problems. To reduce the computational cost, model order reduction techniques can be applied. An important aspect thereby is the robustness of the obtained reduced model. Within this study reduced-order modelling (ROM) for the geometrically nonlinear case using hyperelastic materials is applied for the boundary value problem on the micro-scale. This involves the Proper Orthogonal Decomposition (POD) for the primary unknown and hyper-reduction methods for the arising nonlinearity. Therein three methods for hyper-reduction, differing in how the nonlinearity is approximated and the subsequent projection, are compared in terms of accuracy and robustness. Introducing interpolation or Gappy-POD based approximations may not preserve the symmetry of the system tangent, rendering the widely used Galerkin projection sub-optimal. Hence, a different projection related to a Gauss-Newton scheme (Gauss-Newton with Approximated Tensors- GNAT) is favoured to obtain an optimal projection and a robust reduced model.

Projection-based estimation and nonuniformity correction of sensitivity profiles in phased-array surface coils.

PubMed

Yun, Sungdae; Kyriakos, Walid E; Chung, Jun-Young; Han, Yeji; Yoo, Seung-Schik; Park, Hyunwook

2007-03-01

To develop a novel approach for calculating the accurate sensitivity profiles of phased-array coils, resulting in correction of nonuniform intensity in parallel MRI. The proposed intensity-correction method estimates the accurate sensitivity profile of each channel of the phased-array coil. The sensitivity profile is estimated by fitting a nonlinear curve to every projection view through the imaged object. The nonlinear curve-fitting efficiently obtains the low-frequency sensitivity profile by eliminating the high-frequency image contents. Filtered back-projection (FBP) is then used to compute the estimates of the sensitivity profile of each channel. The method was applied to both phantom and brain images acquired from the phased-array coil. Intensity-corrected images from the proposed method had more uniform intensity than those obtained by the commonly used sum-of-squares (SOS) approach. With the use of the proposed correction method, the intensity variation was reduced to 6.1% from 13.1% of the SOS. When the proposed approach was applied to the computation of the sensitivity maps during sensitivity encoding (SENSE) reconstruction, it outperformed the SOS approach in terms of the reconstructed image uniformity. The proposed method is more effective at correcting the intensity nonuniformity of phased-array surface-coil images than the conventional SOS method. In addition, the method was shown to be resilient to noise and was successfully applied for image reconstruction in parallel imaging.

Preparing Lessons, Exercises and Tests for M-Learning of IT Fundamentals

ERIC Educational Resources Information Center

Djenic, S.; Vasiljevic, V.; Mitic, J.; Petkovic, V.; Miletic, A.

2014-01-01

This paper represents a result of studying the efficiency of applying mobile learning technologies, as well as the accompanying advanced teaching methods in the area of Information Technologies, at the School of Electrical and Computer Engineering of Applied Studies in Belgrade, Serbia. It contains a brief description of the form of application…

Computing and Applying Atomic Regulons to Understand Gene Expression and Regulation

DOE PAGES

Faria, José P.; Davis, James J.; Edirisinghe, Janaka N.; ...

2016-11-24

Understanding gene function and regulation is essential for the interpretation, prediction, and ultimate design of cell responses to changes in the environment. A multitude of technologies, abstractions, and interpretive frameworks have emerged to answer the challenges presented by genome function and regulatory network inference. Here, we propose a new approach for producing biologically meaningful clusters of coexpressed genes, called Atomic Regulons (ARs), based on expression data, gene context, and functional relationships. We demonstrate this new approach by computing ARs for Escherichia coli, which we compare with the coexpressed gene clusters predicted by two prevalent existing methods: hierarchical clustering and k-meansmore » clustering. We test the consistency of ARs predicted by all methods against expected interactions predicted by the Context Likelihood of Relatedness (CLR) mutual information based method, finding that the ARs produced by our approach show better agreement with CLR interactions. We then apply our method to compute ARs for four other genomes: Shewanella oneidensis, Pseudomonas aeruginosa, Thermus thermophilus, and Staphylococcus aureus. We compare the AR clusters from all genomes to study the similarity of coexpression among a phylogenetically diverse set of species, identifying subsystems that show remarkable similarity over wide phylogenetic distances. We also study the sensitivity of our method for computing ARs to the expression data used in the computation, showing that our new approach requires less data than competing approaches to converge to a near final configuration of ARs. We go on to use our sensitivity analysis to identify the specific experiments that lead most rapidly to the final set of ARs for E. coli. As a result, this analysis produces insights into improving the design of gene expression experiments.« less

Computing and Applying Atomic Regulons to Understand Gene Expression and Regulation

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

Faria, José P.; Davis, James J.; Edirisinghe, Janaka N.

Understanding gene function and regulation is essential for the interpretation, prediction, and ultimate design of cell responses to changes in the environment. A multitude of technologies, abstractions, and interpretive frameworks have emerged to answer the challenges presented by genome function and regulatory network inference. Here, we propose a new approach for producing biologically meaningful clusters of coexpressed genes, called Atomic Regulons (ARs), based on expression data, gene context, and functional relationships. We demonstrate this new approach by computing ARs for Escherichia coli, which we compare with the coexpressed gene clusters predicted by two prevalent existing methods: hierarchical clustering and k-meansmore » clustering. We test the consistency of ARs predicted by all methods against expected interactions predicted by the Context Likelihood of Relatedness (CLR) mutual information based method, finding that the ARs produced by our approach show better agreement with CLR interactions. We then apply our method to compute ARs for four other genomes: Shewanella oneidensis, Pseudomonas aeruginosa, Thermus thermophilus, and Staphylococcus aureus. We compare the AR clusters from all genomes to study the similarity of coexpression among a phylogenetically diverse set of species, identifying subsystems that show remarkable similarity over wide phylogenetic distances. We also study the sensitivity of our method for computing ARs to the expression data used in the computation, showing that our new approach requires less data than competing approaches to converge to a near final configuration of ARs. We go on to use our sensitivity analysis to identify the specific experiments that lead most rapidly to the final set of ARs for E. coli. As a result, this analysis produces insights into improving the design of gene expression experiments.« less

An efficient implementation of a high-order filter for a cubed-sphere spectral element model

NASA Astrophysics Data System (ADS)

Kang, Hyun-Gyu; Cheong, Hyeong-Bin

2017-03-01

A parallel-scalable, isotropic, scale-selective spatial filter was developed for the cubed-sphere spectral element model on the sphere. The filter equation is a high-order elliptic (Helmholtz) equation based on the spherical Laplacian operator, which is transformed into cubed-sphere local coordinates. The Laplacian operator is discretized on the computational domain, i.e., on each cell, by the spectral element method with Gauss-Lobatto Lagrange interpolating polynomials (GLLIPs) as the orthogonal basis functions. On the global domain, the discrete filter equation yielded a linear system represented by a highly sparse matrix. The density of this matrix increases quadratically (linearly) with the order of GLLIP (order of the filter), and the linear system is solved in only O (Ng) operations, where Ng is the total number of grid points. The solution, obtained by a row reduction method, demonstrated the typical accuracy and convergence rate of the cubed-sphere spectral element method. To achieve computational efficiency on parallel computers, the linear system was treated by an inverse matrix method (a sparse matrix-vector multiplication). The density of the inverse matrix was lowered to only a few times of the original sparse matrix without degrading the accuracy of the solution. For better computational efficiency, a local-domain high-order filter was introduced: The filter equation is applied to multiple cells, and then the central cell was only used to reconstruct the filtered field. The parallel efficiency of applying the inverse matrix method to the global- and local-domain filter was evaluated by the scalability on a distributed-memory parallel computer. The scale-selective performance of the filter was demonstrated on Earth topography. The usefulness of the filter as a hyper-viscosity for the vorticity equation was also demonstrated.

Factorization and reduction methods for optimal control of distributed parameter systems

NASA Technical Reports Server (NTRS)

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

1985-01-01

A Chandrasekhar-type factorization method is applied to the linear-quadratic optimal control problem for distributed parameter systems. An aeroelastic control problem is used as a model example to demonstrate that if computationally efficient algorithms, such as those of Chandrasekhar-type, are combined with the special structure often available to a particular problem, then an abstract approximation theory developed for distributed parameter control theory becomes a viable method of solution. A numerical scheme based on averaging approximations is applied to hereditary control problems. Numerical examples are given.

A computationally efficient parallel Levenberg-Marquardt algorithm for highly parameterized inverse model analyses

NASA Astrophysics Data System (ADS)

Lin, Youzuo; O'Malley, Daniel; Vesselinov, Velimir V.

2016-09-01

Inverse modeling seeks model parameters given a set of observations. However, for practical problems because the number of measurements is often large and the model parameters are also numerous, conventional methods for inverse modeling can be computationally expensive. We have developed a new, computationally efficient parallel Levenberg-Marquardt method for solving inverse modeling problems with a highly parameterized model space. Levenberg-Marquardt methods require the solution of a linear system of equations which can be prohibitively expensive to compute for moderate to large-scale problems. Our novel method projects the original linear problem down to a Krylov subspace such that the dimensionality of the problem can be significantly reduced. Furthermore, we store the Krylov subspace computed when using the first damping parameter and recycle the subspace for the subsequent damping parameters. The efficiency of our new inverse modeling algorithm is significantly improved using these computational techniques. We apply this new inverse modeling method to invert for random transmissivity fields in 2-D and a random hydraulic conductivity field in 3-D. Our algorithm is fast enough to solve for the distributed model parameters (transmissivity) in the model domain. The algorithm is coded in Julia and implemented in the MADS computational framework (http://mads.lanl.gov). By comparing with Levenberg-Marquardt methods using standard linear inversion techniques such as QR or SVD methods, our Levenberg-Marquardt method yields a speed-up ratio on the order of ˜101 to ˜102 in a multicore computational environment. Therefore, our new inverse modeling method is a powerful tool for characterizing subsurface heterogeneity for moderate to large-scale problems.

Moving Computational Domain Method and Its Application to Flow Around a High-Speed Car Passing Through a Hairpin Curve

NASA Astrophysics Data System (ADS)

Watanabe, Koji; Matsuno, Kenichi

This paper presents a new method for simulating flows driven by a body traveling with neither restriction on motion nor a limit of a region size. In the present method named 'Moving Computational Domain Method', the whole of the computational domain including bodies inside moves in the physical space without the limit of region size. Since the whole of the grid of the computational domain moves according to the movement of the body, a flow solver of the method has to be constructed on the moving grid system and it is important for the flow solver to satisfy physical and geometric conservation laws simultaneously on moving grid. For this issue, the Moving-Grid Finite-Volume Method is employed as the flow solver. The present Moving Computational Domain Method makes it possible to simulate flow driven by any kind of motion of the body in any size of the region with satisfying physical and geometric conservation laws simultaneously. In this paper, the method is applied to the flow around a high-speed car passing through a hairpin curve. The distinctive flow field driven by the car at the hairpin curve has been demonstrated in detail. The results show the promising feature of the method.

An incremental strategy for calculating consistent discrete CFD sensitivity derivatives

NASA Technical Reports Server (NTRS)

Korivi, Vamshi Mohan; Taylor, Arthur C., III; Newman, Perry A.; Hou, Gene W.; Jones, Henry E.

1992-01-01

In this preliminary study involving advanced computational fluid dynamic (CFD) codes, an incremental formulation, also known as the 'delta' or 'correction' form, is presented for solving the very large sparse systems of linear equations which are associated with aerodynamic sensitivity analysis. For typical problems in 2D, a direct solution method can be applied to these linear equations which are associated with aerodynamic sensitivity analysis. For typical problems in 2D, a direct solution method can be applied to these linear equations in either the standard or the incremental form, in which case the two are equivalent. Iterative methods appear to be needed for future 3D applications; however, because direct solver methods require much more computer memory than is currently available. Iterative methods for solving these equations in the standard form result in certain difficulties, such as ill-conditioning of the coefficient matrix, which can be overcome when these equations are cast in the incremental form; these and other benefits are discussed. The methodology is successfully implemented and tested in 2D using an upwind, cell-centered, finite volume formulation applied to the thin-layer Navier-Stokes equations. Results are presented for two laminar sample problems: (1) transonic flow through a double-throat nozzle; and (2) flow over an isolated airfoil.

Computation of subsonic flow around airfoil systems with multiple separation

NASA Technical Reports Server (NTRS)

Jacob, K.

1982-01-01

A numerical method for computing the subsonic flow around multi-element airfoil systems was developed, allowing for flow separation at one or more elements. Besides multiple rear separation also sort bubbles on the upper surface and cove bubbles can approximately be taken into account. Also, compressibility effects for pure subsonic flow are approximately accounted for. After presentation the method is applied to several examples and improved in some details. Finally, the present limitations and desirable extensions are discussed.

SCI Identification (SCIDNT) program user's guide. [maximum likelihood method for linear rotorcraft models

NASA Technical Reports Server (NTRS)

1979-01-01

The computer program Linear SCIDNT which evaluates rotorcraft stability and control coefficients from flight or wind tunnel test data is described. It implements the maximum likelihood method to maximize the likelihood function of the parameters based on measured input/output time histories. Linear SCIDNT may be applied to systems modeled by linear constant-coefficient differential equations. This restriction in scope allows the application of several analytical results which simplify the computation and improve its efficiency over the general nonlinear case.

VORCAM: A computer program for calculating vortex lift effect of cambered wings by the suction analogy

NASA Technical Reports Server (NTRS)

Lan, C. E.; Chang, J. F.

1981-01-01

A user's guide to an improved version of Woodward's chord plane aerodynamic panel computer code is presumed. The guide can be applied to cambered wings exhibiting edge separated flow, including those with leading edge vortex flow at subsonic and supersonic speeds. New orientations for the rotated suction force are employed based on the momentum principal. The supersonic suction analogy method is improved by using an effective angle of attack defined through a semiempirical method.

Current problems in applied mathematics and mathematical physics

NASA Astrophysics Data System (ADS)

Samarskii, A. A.

Papers are presented on such topics as mathematical models in immunology, mathematical problems of medical computer tomography, classical orthogonal polynomials depending on a discrete variable, and boundary layer methods for singular perturbation problems in partial derivatives. Consideration is also given to the computer simulation of supernova explosion, nonstationary internal waves in a stratified fluid, the description of turbulent flows by unsteady solutions of the Navier-Stokes equations, and the reduced Galerkin method for external diffraction problems using the spline approximation of fields.

Course Modularization Applied: The Interface System and Its Implications For Sequence Control and Data Analysis.

ERIC Educational Resources Information Center

Schneider, E. W.

The Interface System is a comprehensive method for developing and managing computer-assisted instructional courses or computer-managed instructional courses composed of sets of instructional modules. Each module is defined by one or more behavioral objectives and by a list of prerequisite modules that must be completed successfully before the…

17 CFR 270.5b-1 - Definition of “total assets.”

Code of Federal Regulations, 2010 CFR

2010-04-01

..., shall mean the gross assets of the company with respect to which the computation is made, taken as of the end of the fiscal quarter of the company last preceding the date of computation. This section shall not apply to any company which has adopted either of the alternative methods of valuation...

THE APPLICATION OF COMPUTATIONAL METHODS TO UNDERSTANDING THE HEALTH EFFECTS OF CHEMICALS IN THE ENVIRONMENT AND EVALUATING RISK: POLYCYCLIC AROMATIC HYDROCARBONS

EPA Science Inventory

Computational approaches have been applied to studying the toxicology of environmental agents for more than 50 years. These approaches have been used to enhance existing data, to provide understanding of the mechanisms of toxicity and as an aid in the evaluation of risks. However...

Solution of the Schrodinger Equation for a Diatomic Oscillator Using Linear Algebra: An Undergraduate Computational Experiment

ERIC Educational Resources Information Center

Gasyna, Zbigniew L.

2008-01-01

Computational experiment is proposed in which a linear algebra method is applied to the solution of the Schrodinger equation for a diatomic oscillator. Calculations of the vibration-rotation spectrum for the HCl molecule are presented and the results show excellent agreement with experimental data. (Contains 1 table and 1 figure.)

Semidirect computation of three-dimensional viscous flows over suction holes in laminar flow control surfaces

NASA Technical Reports Server (NTRS)

Roache, P. J.

1979-01-01

A summary is given of the attempts made to apply semidirect methods to the calculation of three-dimensional viscous flows over suction holes in laminar flow control surfaces. The attempts were all unsuccessful, due to either (1) lack of resolution capability, (2) lack of computer efficiency, or (3) instability.

A Thermodynamically-consistent FBA-based Approach to Biogeochemical Reaction Modeling

NASA Astrophysics Data System (ADS)

Shapiro, B.; Jin, Q.

2015-12-01

Microbial rates are critical to understanding biogeochemical processes in natural environments. Recently, flux balance analysis (FBA) has been applied to predict microbial rates in aquifers and other settings. FBA is a genome-scale constraint-based modeling approach that computes metabolic rates and other phenotypes of microorganisms. This approach requires a prior knowledge of substrate uptake rates, which is not available for most natural microbes. Here we propose to constrain substrate uptake rates on the basis of microbial kinetics. Specifically, we calculate rates of respiration (and fermentation) using a revised Monod equation; this equation accounts for both the kinetics and thermodynamics of microbial catabolism. Substrate uptake rates are then computed from the rates of respiration, and applied to FBA to predict rates of microbial growth. We implemented this method by linking two software tools, PHREEQC and COBRA Toolbox. We applied this method to acetotrophic methanogenesis by Methanosarcina barkeri, and compared the simulation results to previous laboratory observations. The new method constrains acetate uptake by accounting for the kinetics and thermodynamics of methanogenesis, and predicted well the observations of previous experiments. In comparison, traditional methods of dynamic-FBA constrain acetate uptake on the basis of enzyme kinetics, and failed to reproduce the experimental results. These results show that microbial rate laws may provide a better constraint than enzyme kinetics for applying FBA to biogeochemical reaction modeling.

ASP-based method for the enumeration of attractors in non-deterministic synchronous and asynchronous multi-valued networks.

PubMed

Ben Abdallah, Emna; Folschette, Maxime; Roux, Olivier; Magnin, Morgan

2017-01-01

This paper addresses the problem of finding attractors in biological regulatory networks. We focus here on non-deterministic synchronous and asynchronous multi-valued networks, modeled using automata networks (AN). AN is a general and well-suited formalism to study complex interactions between different components (genes, proteins,...). An attractor is a minimal trap domain, that is, a part of the state-transition graph that cannot be escaped. Such structures are terminal components of the dynamics and take the form of steady states (singleton) or complex compositions of cycles (non-singleton). Studying the effect of a disease or a mutation on an organism requires finding the attractors in the model to understand the long-term behaviors. We present a computational logical method based on answer set programming (ASP) to identify all attractors. Performed without any network reduction, the method can be applied on any dynamical semantics. In this paper, we present the two most widespread non-deterministic semantics: the asynchronous and the synchronous updating modes. The logical approach goes through a complete enumeration of the states of the network in order to find the attractors without the necessity to construct the whole state-transition graph. We realize extensive computational experiments which show good performance and fit the expected theoretical results in the literature. The originality of our approach lies on the exhaustive enumeration of all possible (sets of) states verifying the properties of an attractor thanks to the use of ASP. Our method is applied to non-deterministic semantics in two different schemes (asynchronous and synchronous). The merits of our methods are illustrated by applying them to biological examples of various sizes and comparing the results with some existing approaches. It turns out that our approach succeeds to exhaustively enumerate on a desktop computer, in a large model (100 components), all existing attractors up to a given size (20 states). This size is only limited by memory and computation time.

Computation of NLO processes involving heavy quarks using Loop-Tree Duality

NASA Astrophysics Data System (ADS)

Driencourt-Mangin, Félix

2017-03-01

We present a new method to compute higher-order corrections to physical cross-sections, at Next-to-Leading Order and beyond. This method, based on the Loop Tree Duality, leads to locally integrable expressions in four dimensions. By introducing a physically motivated momentum mapping between the momenta involved in the real and the virtual contributions, infrared singularities naturally cancel at integrand level, without the need to introduce subtraction counter-terms. Ultraviolet singularities are dealt with by using dual representations of suitable counter-terms, with some subtleties regarding the self-energy contributions. As an example, we apply this method to compute the 1 → 2 decay rate in the context of a scalar toy model with massive particles.

CFD Analysis of Hypersonic Flowfields With Surface Thermochemistry and Ablation

NASA Technical Reports Server (NTRS)

Henline, W. D.

1997-01-01

In the past forty years much progress has been made in computational methods applied to the solution of problems in spacecraft hypervelocity flow and heat transfer. Although the basic thermochemical and physical modeling techniques have changed little in this time, several orders of magnitude increase in the speed of numerically solving the Navier-Stokes and associated energy equations have been achieved. The extent to which this computational power can be applied to the design of spacecraft heat shields is dependent on the proper coupling of the external flow equations to the boundary conditions and governing equations representing the thermal protection system in-depth conduction, pyrolysis and surface ablation phenomena. A discussion of the techniques used to do this in past problems as well as the current state-of-art is provided. Specific examples, including past missions such as Galileo, together with the more recent case studies of ESA/Rosetta Sample Comet Return, Mars Pathfinder and X-33 will be discussed. Modeling assumptions, design approach and computational methods and results are presented.

An Online Gravity Modeling Method Applied for High Precision Free-INS

PubMed Central

Wang, Jing; Yang, Gongliu; Li, Jing; Zhou, Xiao

2016-01-01

For real-time solution of inertial navigation system (INS), the high-degree spherical harmonic gravity model (SHM) is not applicable because of its time and space complexity, in which traditional normal gravity model (NGM) has been the dominant technique for gravity compensation. In this paper, a two-dimensional second-order polynomial model is derived from SHM according to the approximate linear characteristic of regional disturbing potential. Firstly, deflections of vertical (DOVs) on dense grids are calculated with SHM in an external computer. And then, the polynomial coefficients are obtained using these DOVs. To achieve global navigation, the coefficients and applicable region of polynomial model are both updated synchronously in above computer. Compared with high-degree SHM, the polynomial model takes less storage and computational time at the expense of minor precision. Meanwhile, the model is more accurate than NGM. Finally, numerical test and INS experiment show that the proposed method outperforms traditional gravity models applied for high precision free-INS. PMID:27669261

An Online Gravity Modeling Method Applied for High Precision Free-INS.

PubMed

Wang, Jing; Yang, Gongliu; Li, Jing; Zhou, Xiao

2016-09-23

For real-time solution of inertial navigation system (INS), the high-degree spherical harmonic gravity model (SHM) is not applicable because of its time and space complexity, in which traditional normal gravity model (NGM) has been the dominant technique for gravity compensation. In this paper, a two-dimensional second-order polynomial model is derived from SHM according to the approximate linear characteristic of regional disturbing potential. Firstly, deflections of vertical (DOVs) on dense grids are calculated with SHM in an external computer. And then, the polynomial coefficients are obtained using these DOVs. To achieve global navigation, the coefficients and applicable region of polynomial model are both updated synchronously in above computer. Compared with high-degree SHM, the polynomial model takes less storage and computational time at the expense of minor precision. Meanwhile, the model is more accurate than NGM. Finally, numerical test and INS experiment show that the proposed method outperforms traditional gravity models applied for high precision free-INS.

Computational fluid dynamics modelling of hydraulics and sedimentation in process reactors during aeration tank settling.

PubMed

Jensen, M D; Ingildsen, P; Rasmussen, M R; Laursen, J

2006-01-01

Aeration tank settling is a control method allowing settling in the process tank during high hydraulic load. The control method is patented. Aeration tank settling has been applied in several waste water treatment plants using the present design of the process tanks. Some process tank designs have shown to be more effective than others. To improve the design of less effective plants, computational fluid dynamics (CFD) modelling of hydraulics and sedimentation has been applied. This paper discusses the results at one particular plant experiencing problems with partly short-circuiting of the inlet and outlet causing a disruption of the sludge blanket at the outlet and thereby reducing the retention of sludge in the process tank. The model has allowed us to establish a clear picture of the problems arising at the plant during aeration tank settling. Secondly, several process tank design changes have been suggested and tested by means of computational fluid dynamics modelling. The most promising design changes have been found and reported.

APPLICATION OF A FINITE-DIFFERENCE TECHNIQUE TO THE HUMAN RADIOFREQUENCY DOSIMETRY PROBLEM

EPA Science Inventory

A powerful finite difference numerical technique has been applied to the human radiofrequency dosimetry problem. The method possesses inherent advantages over the method of moments approach in that its implementation requires much less computer memory. Consequently, it has the ca...

Exploiting Language Models to Classify Events from Twitter

PubMed Central

Vo, Duc-Thuan; Hai, Vo Thuan; Ock, Cheol-Young

2015-01-01

Classifying events is challenging in Twitter because tweets texts have a large amount of temporal data with a lot of noise and various kinds of topics. In this paper, we propose a method to classify events from Twitter. We firstly find the distinguishing terms between tweets in events and measure their similarities with learning language models such as ConceptNet and a latent Dirichlet allocation method for selectional preferences (LDA-SP), which have been widely studied based on large text corpora within computational linguistic relations. The relationship of term words in tweets will be discovered by checking them under each model. We then proposed a method to compute the similarity between tweets based on tweets' features including common term words and relationships among their distinguishing term words. It will be explicit and convenient for applying to k-nearest neighbor techniques for classification. We carefully applied experiments on the Edinburgh Twitter Corpus to show that our method achieves competitive results for classifying events. PMID:26451139

Molecular dynamics simulations and applications in computational toxicology and nanotoxicology.

PubMed

Selvaraj, Chandrabose; Sakkiah, Sugunadevi; Tong, Weida; Hong, Huixiao

2018-02-01

Nanotoxicology studies toxicity of nanomaterials and has been widely applied in biomedical researches to explore toxicity of various biological systems. Investigating biological systems through in vivo and in vitro methods is expensive and time taking. Therefore, computational toxicology, a multi-discipline field that utilizes computational power and algorithms to examine toxicology of biological systems, has gained attractions to scientists. Molecular dynamics (MD) simulations of biomolecules such as proteins and DNA are popular for understanding of interactions between biological systems and chemicals in computational toxicology. In this paper, we review MD simulation methods, protocol for running MD simulations and their applications in studies of toxicity and nanotechnology. We also briefly summarize some popular software tools for execution of MD simulations. Published by Elsevier Ltd.

Approximate methods for the fast computation of EPR and ST-EPR spectra. V. Application of the perturbation approach to the problem of anisotropic motion

NASA Astrophysics Data System (ADS)

Robinson, B. H.; Dalton, L. R.

1981-01-01

The modulation perturbation treatment of Galloway and Dalton is applied to the solution of the stochastic Liouville equation for the spin density matrix which incorporates an anisotropic rotational diffusion operator. Pseudosecular and saturation terms of the spin hamiltonian are explicitly considered as is the interaction of the electron spins with the applied Zeeman modulation field. The modulation perturbation treatment results in a factor of four improvement in computational speed relative to inversion of the full supermatrix with little or no loss of computational accuracy. The theoretical simulations of EPR and ST-EPR spectra are in nearly quantitative agreement with experimental spectra taken under high resolution conditions.

Rapid high performance liquid chromatography method development with high prediction accuracy, using 5cm long narrow bore columns packed with sub-2microm particles and Design Space computer modeling.

PubMed

Fekete, Szabolcs; Fekete, Jeno; Molnár, Imre; Ganzler, Katalin

2009-11-06

Many different strategies of reversed phase high performance liquid chromatographic (RP-HPLC) method development are used today. This paper describes a strategy for the systematic development of ultrahigh-pressure liquid chromatographic (UHPLC or UPLC) methods using 5cmx2.1mm columns packed with sub-2microm particles and computer simulation (DryLab((R)) package). Data for the accuracy of computer modeling in the Design Space under ultrahigh-pressure conditions are reported. An acceptable accuracy for these predictions of the computer models is presented. This work illustrates a method development strategy, focusing on time reduction up to a factor 3-5, compared to the conventional HPLC method development and exhibits parts of the Design Space elaboration as requested by the FDA and ICH Q8R1. Furthermore this paper demonstrates the accuracy of retention time prediction at elevated pressure (enhanced flow-rate) and shows that the computer-assisted simulation can be applied with sufficient precision for UHPLC applications (p>400bar). Examples of fast and effective method development in pharmaceutical analysis, both for gradient and isocratic separations are presented.

Geoid undulation computations at laser tracking stations

NASA Technical Reports Server (NTRS)

Despotakis, Vasilios K.

1987-01-01

Geoid undulation computations were performed at 29 laser stations distributed around the world using a combination of terrestrial gravity data within a cap of radius 2 deg and a potential coefficient set up to 180 deg. The traditional methods of Stokes' and Meissl's modification together with the Molodenskii method and the modified Sjoberg method were applied. Performing numerical tests based on global error assumptions regarding the terrestrial data and the geopotential set it was concluded that the modified Sjoberg method is the most accurate and promising technique for geoid undulation computations. The numerical computations for the geoid undulations using all the four methods resulted in agreement with the ellipsoidal minus orthometric value of the undulations on the order of 60 cm or better for most of the laser stations in the eastern United States, Australia, Japan, Bermuda, and Europe. A systematic discrepancy of about 2 meters for most of the western United States stations was detected and verified by using two relatively independent data sets. For oceanic laser stations in the western Atlantic and Pacific oceans that have no terrestrial data available, the adjusted GEOS-3 and SEASAT altimeter data were used for the computation of the geoid undulation in a collocation method.

In Silico Modeling: Methods and Applications toTrauma and Sepsis

PubMed Central

Vodovotz, Yoram; Billiar, Timothy R.

2013-01-01

Objective To familiarize clinicians with advances in computational disease modeling applied to trauma and sepsis. Data Sources PubMed search and review of relevant medical literature. Summary Definitions, key methods, and applications of computational modeling to trauma and sepsis are reviewed. Conclusions Computational modeling of inflammation and organ dysfunction at the cellular, organ, whole-organism, and population levels has suggested a positive feedback cycle of inflammation → damage → inflammation that manifests via organ-specific inflammatory switching networks. This structure may manifest as multi-compartment “tipping points” that drive multiple organ dysfunction. This process may be amenable to rational inflammation reprogramming. PMID:23863232

Designing Artificial Enzymes by Intuition and Computation

PubMed Central

Nanda, Vikas; Koder, Ronald L.

2012-01-01

The rational design of artificial enzymes either by applying physio-chemical intuition of protein structure and function or with the aid of computation methods is a promising area of research with the potential to tremendously impact medicine, industrial chemistry and energy production. Designed proteins also provide a powerful platform for dissecting enzyme mechanisms of natural systems. Artificial enzymes have come a long way, from simple α-helical peptide catalysts to proteins that facilitate multi-step chemical reactions designed by state-of-the-art computational methods. Looking forward, we examine strategies employed by natural enzymes which could be used to improve the speed and selectivity of artificial catalysts. PMID:21124375

Genetic algorithms in teaching artificial intelligence (automated generation of specific algebras)

NASA Astrophysics Data System (ADS)

Habiballa, Hashim; Jendryscik, Radek

2017-11-01

The problem of teaching essential Artificial Intelligence (AI) methods is an important task for an educator in the branch of soft-computing. The key focus is often given to proper understanding of the principle of AI methods in two essential points - why we use soft-computing methods at all and how we apply these methods to generate reasonable results in sensible time. We present one interesting problem solved in the non-educational research concerning automated generation of specific algebras in the huge search space. We emphasize above mentioned points as an educational case study of an interesting problem in automated generation of specific algebras.

A POSTERIORI ERROR ANALYSIS OF TWO STAGE COMPUTATION METHODS WITH APPLICATION TO EFFICIENT DISCRETIZATION AND THE PARAREAL ALGORITHM.

PubMed

Chaudhry, Jehanzeb Hameed; Estep, Don; Tavener, Simon; Carey, Varis; Sandelin, Jeff

2016-01-01

We consider numerical methods for initial value problems that employ a two stage approach consisting of solution on a relatively coarse discretization followed by solution on a relatively fine discretization. Examples include adaptive error control, parallel-in-time solution schemes, and efficient solution of adjoint problems for computing a posteriori error estimates. We describe a general formulation of two stage computations then perform a general a posteriori error analysis based on computable residuals and solution of an adjoint problem. The analysis accommodates various variations in the two stage computation and in formulation of the adjoint problems. We apply the analysis to compute "dual-weighted" a posteriori error estimates, to develop novel algorithms for efficient solution that take into account cancellation of error, and to the Parareal Algorithm. We test the various results using several numerical examples.

Efficient computation of the Grünwald-Letnikov fractional diffusion derivative using adaptive time step memory

NASA Astrophysics Data System (ADS)

MacDonald, Christopher L.; Bhattacharya, Nirupama; Sprouse, Brian P.; Silva, Gabriel A.

2015-09-01

Computing numerical solutions to fractional differential equations can be computationally intensive due to the effect of non-local derivatives in which all previous time points contribute to the current iteration. In general, numerical approaches that depend on truncating part of the system history while efficient, can suffer from high degrees of error and inaccuracy. Here we present an adaptive time step memory method for smooth functions applied to the Grünwald-Letnikov fractional diffusion derivative. This method is computationally efficient and results in smaller errors during numerical simulations. Sampled points along the system's history at progressively longer intervals are assumed to reflect the values of neighboring time points. By including progressively fewer points backward in time, a temporally 'weighted' history is computed that includes contributions from the entire past of the system, maintaining accuracy, but with fewer points actually calculated, greatly improving computational efficiency.

Efficient Geometric Sound Propagation Using Visibility Culling

NASA Astrophysics Data System (ADS)

Chandak, Anish

2011-07-01

Simulating propagation of sound can improve the sense of realism in interactive applications such as video games and can lead to better designs in engineering applications such as architectural acoustics. In this thesis, we present geometric sound propagation techniques which are faster than prior methods and map well to upcoming parallel multi-core CPUs. We model specular reflections by using the image-source method and model finite-edge diffraction by using the well-known Biot-Tolstoy-Medwin (BTM) model. We accelerate the computation of specular reflections by applying novel visibility algorithms, FastV and AD-Frustum, which compute visibility from a point. We accelerate finite-edge diffraction modeling by applying a novel visibility algorithm which computes visibility from a region. Our visibility algorithms are based on frustum tracing and exploit recent advances in fast ray-hierarchy intersections, data-parallel computations, and scalable, multi-core algorithms. The AD-Frustum algorithm adapts its computation to the scene complexity and allows small errors in computing specular reflection paths for higher computational efficiency. FastV and our visibility algorithm from a region are general, object-space, conservative visibility algorithms that together significantly reduce the number of image sources compared to other techniques while preserving the same accuracy. Our geometric propagation algorithms are an order of magnitude faster than prior approaches for modeling specular reflections and two to ten times faster for modeling finite-edge diffraction. Our algorithms are interactive, scale almost linearly on multi-core CPUs, and can handle large, complex, and dynamic scenes. We also compare the accuracy of our sound propagation algorithms with other methods. Once sound propagation is performed, it is desirable to listen to the propagated sound in interactive and engineering applications. We can generate smooth, artifact-free output audio signals by applying efficient audio-processing algorithms. We also present the first efficient audio-processing algorithm for scenarios with simultaneously moving source and moving receiver (MS-MR) which incurs less than 25% overhead compared to static source and moving receiver (SS-MR) or moving source and static receiver (MS-SR) scenario.

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

NASA Astrophysics Data System (ADS)

Kubina, Stanley J.

1989-09-01

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

Algorithms in nature: the convergence of systems biology and computational thinking

PubMed Central

Navlakha, Saket; Bar-Joseph, Ziv

2011-01-01

Computer science and biology have enjoyed a long and fruitful relationship for decades. Biologists rely on computational methods to analyze and integrate large data sets, while several computational methods were inspired by the high-level design principles of biological systems. Recently, these two directions have been converging. In this review, we argue that thinking computationally about biological processes may lead to more accurate models, which in turn can be used to improve the design of algorithms. We discuss the similar mechanisms and requirements shared by computational and biological processes and then present several recent studies that apply this joint analysis strategy to problems related to coordination, network analysis, and tracking and vision. We also discuss additional biological processes that can be studied in a similar manner and link them to potential computational problems. With the rapid accumulation of data detailing the inner workings of biological systems, we expect this direction of coupling biological and computational studies to greatly expand in the future. PMID:22068329

Utility of Computational Methods to Identify the Apoptosis Machinery in Unicellular Eukaryotes

PubMed Central

Durand, Pierre Marcel; Coetzer, Theresa Louise

2008-01-01

Apoptosis is the phenotypic result of an active, regulated process of self-destruction. Following various cellular insults, apoptosis has been demonstrated in numerous unicellular eukaryotes, but very little is known about the genes and proteins that initiate and execute this process in this group of organisms. A bioinformatic approach presents an array of powerful methods to direct investigators in the identification of the apoptosis machinery in protozoans. In this review, we discuss some of the available computational methods and illustrate how they may be applied using the identification of a Plasmodium falciparum metacaspase gene as an example. PMID:19812769

[Elastic registration method to compute deformation functions for mitral valve].

PubMed

Yang, Jinyu; Zhang, Wan; Yin, Ran; Deng, Yuxiao; Wei, Yunfeng; Zeng, Junyi; Wen, Tong; Ding, Lu; Liu, Xiaojian; Li, Yipeng

2014-10-01

Mitral valve disease is one of the most popular heart valve diseases. Precise positioning and displaying of the valve characteristics is necessary for the minimally invasive mitral valve repairing procedures. This paper presents a multi-resolution elastic registration method to compute the deformation functions constructed from cubic B-splines in three dimensional ultrasound images, in which the objective functional to be optimized was generated by maximum likelihood method based on the probabilistic distribution of the ultrasound speckle noise. The algorithm was then applied to register the mitral valve voxels. Numerical results proved the effectiveness of the algorithm.

Computing observables in curved multifield models of inflation—A guide (with code) to the transport method

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

Dias, Mafalda; Seery, David; Frazer, Jonathan, E-mail: m.dias@sussex.ac.uk, E-mail: j.frazer@sussex.ac.uk, E-mail: a.liddle@sussex.ac.uk

We describe how to apply the transport method to compute inflationary observables in a broad range of multiple-field models. The method is efficient and encompasses scenarios with curved field-space metrics, violations of slow-roll conditions and turns of the trajectory in field space. It can be used for an arbitrary mass spectrum, including massive modes and models with quasi-single-field dynamics. In this note we focus on practical issues. It is accompanied by a Mathematica code which can be used to explore suitable models, or as a basis for further development.

Viscoelastic material inversion using Sierra-SD and ROL

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

Walsh, Timothy; Aquino, Wilkins; Ridzal, Denis

2014-11-01

In this report we derive frequency-domain methods for inverse characterization of the constitutive parameters of viscoelastic materials. The inverse problem is cast in a PDE-constrained optimization framework with efficient computation of gradients and Hessian vector products through matrix free operations. The abstract optimization operators for first and second derivatives are derived from first principles. Various methods from the Rapid Optimization Library (ROL) are tested on the viscoelastic inversion problem. The methods described herein are applied to compute the viscoelastic bulk and shear moduli of a foam block model, which was recently used in experimental testing for viscoelastic property characterization.

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

NASA Astrophysics Data System (ADS)

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

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

Machine learning and computer vision approaches for phenotypic profiling.

PubMed

Grys, Ben T; Lo, Dara S; Sahin, Nil; Kraus, Oren Z; Morris, Quaid; Boone, Charles; Andrews, Brenda J

2017-01-02

With recent advances in high-throughput, automated microscopy, there has been an increased demand for effective computational strategies to analyze large-scale, image-based data. To this end, computer vision approaches have been applied to cell segmentation and feature extraction, whereas machine-learning approaches have been developed to aid in phenotypic classification and clustering of data acquired from biological images. Here, we provide an overview of the commonly used computer vision and machine-learning methods for generating and categorizing phenotypic profiles, highlighting the general biological utility of each approach. © 2017 Grys et al.

Machine learning and computer vision approaches for phenotypic profiling

PubMed Central

Morris, Quaid

2017-01-01

With recent advances in high-throughput, automated microscopy, there has been an increased demand for effective computational strategies to analyze large-scale, image-based data. To this end, computer vision approaches have been applied to cell segmentation and feature extraction, whereas machine-learning approaches have been developed to aid in phenotypic classification and clustering of data acquired from biological images. Here, we provide an overview of the commonly used computer vision and machine-learning methods for generating and categorizing phenotypic profiles, highlighting the general biological utility of each approach. PMID:27940887

Computing frequency by using generalized zero-crossing applied to intrinsic mode functions

NASA Technical Reports Server (NTRS)

Huang, Norden E. (Inventor)

2006-01-01

This invention presents a method for computing Instantaneous Frequency by applying Empirical Mode Decomposition to a signal and using Generalized Zero-Crossing (GZC) and Extrema Sifting. The GZC approach is the most direct, local, and also the most accurate in the mean. Furthermore, this approach will also give a statistical measure of the scattering of the frequency value. For most practical applications, this mean frequency localized down to quarter of a wave period is already a well-accepted result. As this method physically measures the period, or part of it, the values obtained can serve as the best local mean over the period to which it applies. Through Extrema Sifting, instead of the cubic spline fitting, this invention constructs the upper envelope and the lower envelope by connecting local maxima points and local minima points of the signal with straight lines, respectively, when extracting a collection of Intrinsic Mode Functions (IMFs) from a signal under consideration.

Mini-batch optimized full waveform inversion with geological constrained gradient filtering

NASA Astrophysics Data System (ADS)

Yang, Hui; Jia, Junxiong; Wu, Bangyu; Gao, Jinghuai

2018-05-01

High computation cost and generating solutions without geological sense have hindered the wide application of Full Waveform Inversion (FWI). Source encoding technique is a way to dramatically reduce the cost of FWI but subject to fix-spread acquisition setup requirement and slow convergence for the suppression of cross-talk. Traditionally, gradient regularization or preconditioning is applied to mitigate the ill-posedness. An isotropic smoothing filter applied on gradients generally gives non-geological inversion results, and could also introduce artifacts. In this work, we propose to address both the efficiency and ill-posedness of FWI by a geological constrained mini-batch gradient optimization method. The mini-batch gradient descent optimization is adopted to reduce the computation time by choosing a subset of entire shots for each iteration. By jointly applying the structure-oriented smoothing to the mini-batch gradient, the inversion converges faster and gives results with more geological meaning. Stylized Marmousi model is used to show the performance of the proposed method on realistic synthetic model.

Computation of Kinetics for the Hydrogen/Oxygen System Using the Thermodynamic Method

NASA Technical Reports Server (NTRS)

Marek, C. John

1996-01-01

A new method for predicting chemical rate constants using thermodynamics has been applied to the hydrogen/oxygen system. This method is based on using the gradient of the Gibbs free energy and a single proportionality constant D to determine the kinetic rate constants. Using this method the rate constants for any gas phase reaction can be computed from thermodynamic properties. A modified reaction set for the H/O system is determined. A11 of the third body efficiencies M are taken to be unity. Good agreement was obtained between the thermodynamic method and the experimental shock tube data. In addition, the hydrogen bromide experimental data presented in previous work is recomputed with M's of unity.

An efficient computational method for solving nonlinear stochastic Itô integral equations: Application for stochastic problems in physics

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

Heydari, M.H., E-mail: heydari@stu.yazd.ac.ir; The Laboratory of Quantum Information Processing, Yazd University, Yazd; Hooshmandasl, M.R., E-mail: hooshmandasl@yazd.ac.ir

Because of the nonlinearity, closed-form solutions of many important stochastic functional equations are virtually impossible to obtain. Thus, numerical solutions are a viable alternative. In this paper, a new computational method based on the generalized hat basis functions together with their stochastic operational matrix of Itô-integration is proposed for solving nonlinear stochastic Itô integral equations in large intervals. In the proposed method, a new technique for computing nonlinear terms in such problems is presented. The main advantage of the proposed method is that it transforms problems under consideration into nonlinear systems of algebraic equations which can be simply solved. Errormore » analysis of the proposed method is investigated and also the efficiency of this method is shown on some concrete examples. The obtained results reveal that the proposed method is very accurate and efficient. As two useful applications, the proposed method is applied to obtain approximate solutions of the stochastic population growth models and stochastic pendulum problem.« less

Long range Debye-Hückel correction for computation of grid-based electrostatic forces between biomacromolecules

PubMed Central

2014-01-01

Background Brownian dynamics (BD) simulations can be used to study very large molecular systems, such as models of the intracellular environment, using atomic-detail structures. Such simulations require strategies to contain the computational costs, especially for the computation of interaction forces and energies. A common approach is to compute interaction forces between macromolecules by precomputing their interaction potentials on three-dimensional discretized grids. For long-range interactions, such as electrostatics, grid-based methods are subject to finite size errors. We describe here the implementation of a Debye-Hückel correction to the grid-based electrostatic potential used in the SDA BD simulation software that was applied to simulate solutions of bovine serum albumin and of hen egg white lysozyme. Results We found that the inclusion of the long-range electrostatic correction increased the accuracy of both the protein-protein interaction profiles and the protein diffusion coefficients at low ionic strength. Conclusions An advantage of this method is the low additional computational cost required to treat long-range electrostatic interactions in large biomacromolecular systems. Moreover, the implementation described here for BD simulations of protein solutions can also be applied in implicit solvent molecular dynamics simulations that make use of gridded interaction potentials. PMID:25045516

Error Mitigation of Point-to-Point Communication for Fault-Tolerant Computing

NASA Technical Reports Server (NTRS)

Akamine, Robert L.; Hodson, Robert F.; LaMeres, Brock J.; Ray, Robert E.

2011-01-01

Fault tolerant systems require the ability to detect and recover from physical damage caused by the hardware s environment, faulty connectors, and system degradation over time. This ability applies to military, space, and industrial computing applications. The integrity of Point-to-Point (P2P) communication, between two microcontrollers for example, is an essential part of fault tolerant computing systems. In this paper, different methods of fault detection and recovery are presented and analyzed.

USSR and Eastern Europe Scientific Abstracts, Cybernetics, Computers and Automation Technology, Number 29.

DTIC Science & Technology

1978-01-17

approach to designing computers: Formal mathematical methods were applied and computers themselves began to be widely used in designing other...capital, labor resources and the funds of consumers. Analysis of the model indicates that at the present time the average complexity of production of...ALGORITHMIC COMPLETENESS AND COMPLEXITY OF MICROPROGRAMS Kiev KIBERNETIKA in Russian No 3, May/Jun 77 pp 1-15 manuscript received 22 Dec 76 G0LUNK0V

Can computed crystal energy landscapes help understand pharmaceutical solids?

PubMed Central

Price, Sarah L.; Braun, Doris E.; Reutzel-Edens, Susan M.

2017-01-01

Computational crystal structure prediction (CSP) methods can now be applied to the smaller pharmaceutical molecules currently in drug development. We review the recent uses of computed crystal energy landscapes for pharmaceuticals, concentrating on examples where they have been used in collaboration with industrial-style experimental solid form screening. There is a strong complementarity in aiding experiment to find and characterise practically important solid forms and understanding the nature of the solid form landscape. PMID:27067116

Applied Graph-Mining Algorithms to Study Biomolecular Interaction Networks

PubMed Central

2014-01-01

Protein-protein interaction (PPI) networks carry vital information on the organization of molecular interactions in cellular systems. The identification of functionally relevant modules in PPI networks is one of the most important applications of biological network analysis. Computational analysis is becoming an indispensable tool to understand large-scale biomolecular interaction networks. Several types of computational methods have been developed and employed for the analysis of PPI networks. Of these computational methods, graph comparison and module detection are the two most commonly used strategies. This review summarizes current literature on graph kernel and graph alignment methods for graph comparison strategies, as well as module detection approaches including seed-and-extend, hierarchical clustering, optimization-based, probabilistic, and frequent subgraph methods. Herein, we provide a comprehensive review of the major algorithms employed under each theme, including our recently published frequent subgraph method, for detecting functional modules commonly shared across multiple cancer PPI networks. PMID:24800226

A direct method for unfolding the resolution function from measurements of neutron induced reactions

NASA Astrophysics Data System (ADS)

Žugec, P.; Colonna, N.; Sabate-Gilarte, M.; Vlachoudis, V.; Massimi, C.; Lerendegui-Marco, J.; Stamatopoulos, A.; Bacak, M.; Warren, S. G.; n TOF Collaboration

2017-12-01

The paper explores the numerical stability and the computational efficiency of a direct method for unfolding the resolution function from the measurements of the neutron induced reactions. A detailed resolution function formalism is laid out, followed by an overview of challenges present in a practical implementation of the method. A special matrix storage scheme is developed in order to facilitate both the memory management of the resolution function matrix, and to increase the computational efficiency of the matrix multiplication and decomposition procedures. Due to its admirable computational properties, a Cholesky decomposition is at the heart of the unfolding procedure. With the smallest but necessary modification of the matrix to be decomposed, the method is successfully applied to system of 105 × 105. However, the amplification of the uncertainties during the direct inversion procedures limits the applicability of the method to high-precision measurements of neutron induced reactions.

New Treatment of Strongly Anisotropic Scattering Phase Functions: The Delta-M+ Method

NASA Astrophysics Data System (ADS)

Stamnes, K. H.; Lin, Z.; Chen, N.; Fan, Y.; Li, W.; Stamnes, S.

2017-12-01

The treatment of strongly anisotropic scattering phase functions is still a challenge for accurate radiance computations. The new Delta-M+ method resolves this problem by introducing a reliable, fast, accurate, and easy-to-use Legendre expansion of the scattering phase function with modified moments. Delta-M+ is an upgrade of the widely-used Delta-M method that truncates the forward scattering cone into a Dirac-delta-function (a direct beam), where the + symbol indicates that it essentially matches moments above the first 2M terms. Compared with the original Delta-M method, Delta-M+ has the same computational efficiency, but the accuracy has been increased dramatically. Tests show that the errors for strongly forward-peaked scattering phase functions are greatly reduced. Furthermore, the accuracy and stability of radiance computations are also significantly improved by applying the new Delta-M+ method.

An XML-based method for astronomy software designing

NASA Astrophysics Data System (ADS)

Liao, Mingxue; Aili, Yusupu; Zhang, Jin

XML-based method for standardization of software designing is introduced and analyzed and successfully applied to renovating the hardware and software of the digital clock at Urumqi Astronomical Station. Basic strategy for eliciting time information from the new digital clock of FT206 in the antenna control program is introduced. By FT206, the need to compute how many centuries passed since a certain day with sophisticated formulas is eliminated and it is no longer necessary to set right UT time for the computer holding control over antenna because the information about year, month, day are all deduced from Julian day dwelling in FT206, rather than from computer time. With XML-based method and standard for software designing, various existing designing methods are unified, communications and collaborations between developers are facilitated, and thus Internet-based mode of developing software becomes possible. The trend of development of XML-based designing method is predicted.

Simultaneous Aerodynamic Analysis and Design Optimization (SAADO) for a 3-D Flexible Wing

NASA Technical Reports Server (NTRS)

Gumbert, Clyde R.; Hou, Gene J.-W.

2001-01-01

The formulation and implementation of an optimization method called Simultaneous Aerodynamic Analysis and Design Optimization (SAADO) are extended from single discipline analysis (aerodynamics only) to multidisciplinary analysis - in this case, static aero-structural analysis - and applied to a simple 3-D wing problem. The method aims to reduce the computational expense incurred in performing shape optimization using state-of-the-art Computational Fluid Dynamics (CFD) flow analysis, Finite Element Method (FEM) structural analysis and sensitivity analysis tools. Results for this small problem show that the method reaches the same local optimum as conventional optimization. However, unlike its application to the win,, (single discipline analysis), the method. as I implemented here, may not show significant reduction in the computational cost. Similar reductions were seen in the two-design-variable (DV) problem results but not in the 8-DV results given here.

Development of an Efficient Binaural Simulation for the Analysis of Structural Acoustic Data

NASA Technical Reports Server (NTRS)

Lalime, Aimee L.; Johnson, Marty E.; Rizzi, Stephen A. (Technical Monitor)

2002-01-01

Binaural or "virtual acoustic" representation has been proposed as a method of analyzing acoustic and vibroacoustic data. Unfortunately, this binaural representation can require extensive computer power to apply the Head Related Transfer Functions (HRTFs) to a large number of sources, as with a vibrating structure. This work focuses on reducing the number of real-time computations required in this binaural analysis through the use of Singular Value Decomposition (SVD) and Equivalent Source Reduction (ESR). The SVD method reduces the complexity of the HRTF computations by breaking the HRTFs into dominant singular values (and vectors). The ESR method reduces the number of sources to be analyzed in real-time computation by replacing sources on the scale of a structural wavelength with sources on the scale of an acoustic wavelength. It is shown that the effectiveness of the SVD and ESR methods improves as the complexity of the source increases. In addition, preliminary auralization tests have shown that the results from both the SVD and ESR methods are indistinguishable from the results found with the exhaustive method.

Linear solver performance in elastoplastic problem solution on GPU cluster

NASA Astrophysics Data System (ADS)

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

2017-12-01

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

Optimal control of CPR procedure using hemodynamic circulation model

DOEpatents

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

2007-12-25

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

Applications of Taylor-Galerkin finite element method to compressible internal flow problems

NASA Technical Reports Server (NTRS)

Sohn, Jeong L.; Kim, Yongmo; Chung, T. J.

1989-01-01

A two-step Taylor-Galerkin finite element method with Lapidus' artificial viscosity scheme is applied to several test cases for internal compressible inviscid flow problems. Investigations for the effect of supersonic/subsonic inlet and outlet boundary conditions on computational results are particularly emphasized.

Computational approach to integrate 3D X-ray microtomography and NMR data.

PubMed

Lucas-Oliveira, Everton; Araujo-Ferreira, Arthur G; Trevizan, Willian A; Fortulan, Carlos A; Bonagamba, Tito J

2018-05-04

Nowadays, most of the efforts in NMR applied to porous media are dedicated to studying the molecular fluid dynamics within and among the pores. These analyses have a higher complexity due to morphology and chemical composition of rocks, besides dynamic effects as restricted diffusion, diffusional coupling, and exchange processes. Since the translational nuclear spin diffusion in a confined geometry (e.g. pores and fractures) requires specific boundary conditions, the theoretical solutions are restricted to some special problems and, in many cases, computational methods are required. The Random Walk Method is a classic way to simulate self-diffusion along a Digital Porous Medium. Bergman model considers the magnetic relaxation process of the fluid molecules by including a probability rate of magnetization survival under surface interactions. Here we propose a statistical approach to correlate surface magnetic relaxivity with the computational method applied to the NMR relaxation in order to elucidate the relationship between simulated relaxation time and pore size of the Digital Porous Medium. The proposed computational method simulates one- and two-dimensional NMR techniques reproducing, for example, longitudinal and transverse relaxation times (T 1 and T 2 , respectively), diffusion coefficients (D), as well as their correlations. For a good approximation between the numerical and experimental results, it is necessary to preserve the complexity of translational diffusion through the microstructures in the digital rocks. Therefore, we use Digital Porous Media obtained by 3D X-ray microtomography. To validate the method, relaxation times of ideal spherical pores were obtained and compared with the previous determinations by the Brownstein-Tarr model, as well as the computational approach proposed by Bergman. Furthermore, simulated and experimental results of synthetic porous media are compared. These results make evident the potential of computational physics in the analysis of the NMR data for complex porous materials. Copyright © 2018 Elsevier Inc. All rights reserved.

Tomographic methods in flow diagnostics

NASA Technical Reports Server (NTRS)

Decker, Arthur J.

1993-01-01

This report presents a viewpoint of tomography that should be well adapted to currently available optical measurement technology as well as the needs of computational and experimental fluid dynamists. The goals in mind are to record data with the fastest optical array sensors; process the data with the fastest parallel processing technology available for small computers; and generate results for both experimental and theoretical data. An in-depth example treats interferometric data as it might be recorded in an aeronautics test facility, but the results are applicable whenever fluid properties are to be measured or applied from projections of those properties. The paper discusses both computed and neural net calibration tomography. The report also contains an overview of key definitions and computational methods, key references, computational problems such as ill-posedness, artifacts, missing data, and some possible and current research topics.

Systems Biology in Immunology – A Computational Modeling Perspective

PubMed Central

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

2011-01-01

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

A coarse-grid projection method for accelerating incompressible flow computations

NASA Astrophysics Data System (ADS)

San, Omer; Staples, Anne E.

2013-01-01

We present a coarse-grid projection (CGP) method for accelerating incompressible flow computations, which is applicable to methods involving Poisson equations as incompressibility constraints. The CGP methodology is a modular approach that facilitates data transfer with simple interpolations and uses black-box solvers for the Poisson and advection-diffusion equations in the flow solver. After solving the Poisson equation on a coarsened grid, an interpolation scheme is used to obtain the fine data for subsequent time stepping on the full grid. A particular version of the method is applied here to the vorticity-stream function, primitive variable, and vorticity-velocity formulations of incompressible Navier-Stokes equations. We compute several benchmark flow problems on two-dimensional Cartesian and non-Cartesian grids, as well as a three-dimensional flow problem. The method is found to accelerate these computations while retaining a level of accuracy close to that of the fine resolution field, which is significantly better than the accuracy obtained for a similar computation performed solely using a coarse grid. A linear acceleration rate is obtained for all the cases we consider due to the linear-cost elliptic Poisson solver used, with reduction factors in computational time between 2 and 42. The computational savings are larger when a suboptimal Poisson solver is used. We also find that the computational savings increase with increasing distortion ratio on non-Cartesian grids, making the CGP method a useful tool for accelerating generalized curvilinear incompressible flow solvers.

A Novel Resource Management Method of Providing Operating System as a Service for Mobile Transparent Computing

PubMed Central

Huang, Suzhen; Wu, Min; Zhang, Yaoxue; She, Jinhua

2014-01-01

This paper presents a framework for mobile transparent computing. It extends the PC transparent computing to mobile terminals. Since resources contain different kinds of operating systems and user data that are stored in a remote server, how to manage the network resources is essential. In this paper, we apply the technologies of quick emulator (QEMU) virtualization and mobile agent for mobile transparent computing (MTC) to devise a method of managing shared resources and services management (SRSM). It has three layers: a user layer, a manage layer, and a resource layer. A mobile virtual terminal in the user layer and virtual resource management in the manage layer cooperate to maintain the SRSM function accurately according to the user's requirements. An example of SRSM is used to validate this method. Experiment results show that the strategy is effective and stable. PMID:24883353

A novel resource management method of providing operating system as a service for mobile transparent computing.

PubMed

Xiong, Yonghua; Huang, Suzhen; Wu, Min; Zhang, Yaoxue; She, Jinhua

2014-01-01

This paper presents a framework for mobile transparent computing. It extends the PC transparent computing to mobile terminals. Since resources contain different kinds of operating systems and user data that are stored in a remote server, how to manage the network resources is essential. In this paper, we apply the technologies of quick emulator (QEMU) virtualization and mobile agent for mobile transparent computing (MTC) to devise a method of managing shared resources and services management (SRSM). It has three layers: a user layer, a manage layer, and a resource layer. A mobile virtual terminal in the user layer and virtual resource management in the manage layer cooperate to maintain the SRSM function accurately according to the user's requirements. An example of SRSM is used to validate this method. Experiment results show that the strategy is effective and stable.

Converting differential-equation models of biological systems to membrane computing.

PubMed

Muniyandi, Ravie Chandren; Zin, Abdullah Mohd; Sanders, J W

2013-12-01

This paper presents a method to convert the deterministic, continuous representation of a biological system by ordinary differential equations into a non-deterministic, discrete membrane computation. The dynamics of the membrane computation is governed by rewrite rules operating at certain rates. That has the advantage of applying accurately to small systems, and to expressing rates of change that are determined locally, by region, but not necessary globally. Such spatial information augments the standard differentiable approach to provide a more realistic model. A biological case study of the ligand-receptor network of protein TGF-β is used to validate the effectiveness of the conversion method. It demonstrates the sense in which the behaviours and properties of the system are better preserved in the membrane computing model, suggesting that the proposed conversion method may prove useful for biological systems in particular. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

Trapped-Ion Quantum Logic with Global Radiation Fields.

PubMed

Weidt, S; Randall, J; Webster, S C; Lake, K; Webb, A E; Cohen, I; Navickas, T; Lekitsch, B; Retzker, A; Hensinger, W K

2016-11-25

Trapped ions are a promising tool for building a large-scale quantum computer. However, the number of required radiation fields for the realization of quantum gates in any proposed ion-based architecture scales with the number of ions within the quantum computer, posing a major obstacle when imagining a device with millions of ions. Here, we present a fundamentally different approach for trapped-ion quantum computing where this detrimental scaling vanishes. The method is based on individually controlled voltages applied to each logic gate location to facilitate the actual gate operation analogous to a traditional transistor architecture within a classical computer processor. To demonstrate the key principle of this approach we implement a versatile quantum gate method based on long-wavelength radiation and use this method to generate a maximally entangled state of two quantum engineered clock qubits with fidelity 0.985(12). This quantum gate also constitutes a simple-to-implement tool for quantum metrology, sensing, and simulation.

An Exact Algorithm to Compute the Double-Cut-and-Join Distance for Genomes with Duplicate Genes.

PubMed

Shao, Mingfu; Lin, Yu; Moret, Bernard M E

2015-05-01

Computing the edit distance between two genomes is a basic problem in the study of genome evolution. The double-cut-and-join (DCJ) model has formed the basis for most algorithmic research on rearrangements over the last few years. The edit distance under the DCJ model can be computed in linear time for genomes without duplicate genes, while the problem becomes NP-hard in the presence of duplicate genes. In this article, we propose an integer linear programming (ILP) formulation to compute the DCJ distance between two genomes with duplicate genes. We also provide an efficient preprocessing approach to simplify the ILP formulation while preserving optimality. Comparison on simulated genomes demonstrates that our method outperforms MSOAR in computing the edit distance, especially when the genomes contain long duplicated segments. We also apply our method to assign orthologous gene pairs among human, mouse, and rat genomes, where once again our method outperforms MSOAR.

Synthesis of High-Frequency Ground Motion Using Information Extracted from Low-Frequency Ground Motion

NASA Astrophysics Data System (ADS)

Iwaki, A.; Fujiwara, H.

2012-12-01

Broadband ground motion computations of scenario earthquakes are often based on hybrid methods that are the combinations of deterministic approach in lower frequency band and stochastic approach in higher frequency band. Typical computation methods for low-frequency and high-frequency (LF and HF, respectively) ground motions are the numerical simulations, such as finite-difference and finite-element methods based on three-dimensional velocity structure model, and the stochastic Green's function method, respectively. In such hybrid methods, LF and HF wave fields are generated through two different methods that are completely independent of each other, and are combined at the matching frequency. However, LF and HF wave fields are essentially not independent as long as they are from the same event. In this study, we focus on the relation among acceleration envelopes at different frequency bands, and attempt to synthesize HF ground motion using the information extracted from LF ground motion, aiming to propose a new method for broad-band strong motion prediction. Our study area is Kanto area, Japan. We use the K-NET and KiK-net surface acceleration data and compute RMS envelope at four frequency bands: 0.5-1.0 Hz, 1.0-2.0 Hz, 2.0-4.0 Hz, .0-8.0 Hz, and 8.0-16.0 Hz. Taking the ratio of the envelopes of adjacent bands, we find that the envelope ratios have stable shapes at each site. The empirical envelope-ratio characteristics are combined with low-frequency envelope of the target earthquake to synthesize HF ground motion. We have applied the method to M5-class earthquakes and a M7 target earthquake that occurred in the vicinity of Kanto area, and successfully reproduced the observed HF ground motion of the target earthquake. The method can be applied to a broad band ground motion simulation for a scenario earthquake by combining numerically-computed low-frequency (~1 Hz) ground motion with the empirical envelope ratio characteristics to generate broadband ground motion. The strengths of the proposed method are that: 1) it is based on observed ground motion characteristics, 2) it takes full advantage of precise velocity structure model, and 3) it is simple and easy to apply.

Application of the polynomial chaos expansion to approximate the homogenised response of the intervertebral disc.

PubMed

Karajan, N; Otto, D; Oladyshkin, S; Ehlers, W

2014-10-01

A possibility to simulate the mechanical behaviour of the human spine is given by modelling the stiffer structures, i.e. the vertebrae, as a discrete multi-body system (MBS), whereas the softer connecting tissue, i.e. the softer intervertebral discs (IVD), is represented in a continuum-mechanical sense using the finite-element method (FEM). From a modelling point of view, the mechanical behaviour of the IVD can be included into the MBS in two different ways. They can either be computed online in a so-called co-simulation of a MBS and a FEM or offline in a pre-computation step, where a representation of the discrete mechanical response of the IVD needs to be defined in terms of the applied degrees of freedom (DOF) of the MBS. For both methods, an appropriate homogenisation step needs to be applied to obtain the discrete mechanical response of the IVD, i.e. the resulting forces and moments. The goal of this paper was to present an efficient method to approximate the mechanical response of an IVD in an offline computation. In a previous paper (Karajan et al. in Biomech Model Mechanobiol 12(3):453-466, 2012), it was proven that a cubic polynomial for the homogenised forces and moments of the FE model is a suitable choice to approximate the purely elastic response as a coupled function of the DOF of the MBS. In this contribution, the polynomial chaos expansion (PCE) is applied to generate these high-dimensional polynomials. Following this, the main challenge is to determine suitable deformation states of the IVD for pre-computation, such that the polynomials can be constructed with high accuracy and low numerical cost. For the sake of a simple verification, the coupling method and the PCE are applied to the same simplified motion segment of the spine as was used in the previous paper, i.e. two cylindrical vertebrae and a cylindrical IVD in between. In a next step, the loading rates are included as variables in the polynomial response functions to account for a more realistic response of the overall viscoelastic intervertebral disc. Herein, an additive split into elastic and inelastic contributions to the homogenised forces and moments is applied.

An Improved Azimuth Angle Estimation Method with a Single Acoustic Vector Sensor Based on an Active Sonar Detection System

PubMed Central

Zhao, Anbang; Ma, Lin; Ma, Xuefei; Hui, Juan

2017-01-01

In this paper, an improved azimuth angle estimation method with a single acoustic vector sensor (AVS) is proposed based on matched filtering theory. The proposed method is mainly applied in an active sonar detection system. According to the conventional passive method based on complex acoustic intensity measurement, the mathematical and physical model of this proposed method is described in detail. The computer simulation and lake experiments results indicate that this method can realize the azimuth angle estimation with high precision by using only a single AVS. Compared with the conventional method, the proposed method achieves better estimation performance. Moreover, the proposed method does not require complex operations in frequency-domain and achieves computational complexity reduction. PMID:28230763

Efficient option valuation of single and double barrier options

NASA Astrophysics Data System (ADS)

Kabaivanov, Stanimir; Milev, Mariyan; Koleva-Petkova, Dessislava; Vladev, Veselin

2017-12-01

In this paper we present an implementation of pricing algorithm for single and double barrier options using Mellin transformation with Maximum Entropy Inversion and its suitability for real-world applications. A detailed analysis of the applied algorithm is accompanied by implementation in C++ that is then compared to existing solutions in terms of efficiency and computational power. We then compare the applied method with existing closed-form solutions and well known methods of pricing barrier options that are based on finite differences.

Computation of maximum gust loads in nonlinear aircraft using a new method based on the matched filter approach and numerical optimization

NASA Technical Reports Server (NTRS)

Pototzky, Anthony S.; Heeg, Jennifer; Perry, Boyd, III

1990-01-01

Time-correlated gust loads are time histories of two or more load quantities due to the same disturbance time history. Time correlation provides knowledge of the value (magnitude and sign) of one load when another is maximum. At least two analysis methods have been identified that are capable of computing maximized time-correlated gust loads for linear aircraft. Both methods solve for the unit-energy gust profile (gust velocity as a function of time) that produces the maximum load at a given location on a linear airplane. Time-correlated gust loads are obtained by re-applying this gust profile to the airplane and computing multiple simultaneous load responses. Such time histories are physically realizable and may be applied to aircraft structures. Within the past several years there has been much interest in obtaining a practical analysis method which is capable of solving the analogous problem for nonlinear aircraft. Such an analysis method has been the focus of an international committee of gust loads specialists formed by the U.S. Federal Aviation Administration and was the topic of a panel discussion at the Gust and Buffet Loads session at the 1989 SDM Conference in Mobile, Alabama. The kinds of nonlinearities common on modern transport aircraft are indicated. The Statical Discrete Gust method is capable of being, but so far has not been, applied to nonlinear aircraft. To make the method practical for nonlinear applications, a search procedure is essential. Another method is based on Matched Filter Theory and, in its current form, is applicable to linear systems only. The purpose here is to present the status of an attempt to extend the matched filter approach to nonlinear systems. The extension uses Matched Filter Theory as a starting point and then employs a constrained optimization algorithm to attack the nonlinear problem.

High-order time-marching reinitialization for regional level-set functions

NASA Astrophysics Data System (ADS)

Pan, Shucheng; Lyu, Xiuxiu; Hu, Xiangyu Y.; Adams, Nikolaus A.

2018-02-01

In this work, the time-marching reinitialization method is extended to compute the unsigned distance function in multi-region systems involving arbitrary number of regions. High order and interface preservation are achieved by applying a simple mapping that transforms the regional level-set function to the level-set function and a high-order two-step reinitialization method which is a combination of the closest point finding procedure and the HJ-WENO scheme. The convergence failure of the closest point finding procedure in three dimensions is addressed by employing a proposed multiple junction treatment and a directional optimization algorithm. Simple test cases show that our method exhibits 4th-order accuracy for reinitializing the regional level-set functions and strictly satisfies the interface-preserving property. The reinitialization results for more complex cases with randomly generated diagrams show the capability our method for arbitrary number of regions N, with a computational effort independent of N. The proposed method has been applied to dynamic interfaces with different types of flows, and the results demonstrate high accuracy and robustness.

Advanced soft computing diagnosis method for tumour grading.

PubMed

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

2006-01-01

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

Systems, methods and computer-readable media for modeling cell performance fade of rechargeable electrochemical devices

DOEpatents

Gering, Kevin L

2013-08-27

A system includes an electrochemical cell, monitoring hardware, and a computing system. The monitoring hardware periodically samples performance characteristics of the electrochemical cell. The computing system determines cell information from the performance characteristics of the electrochemical cell. The computing system also develops a mechanistic level model of the electrochemical cell to determine performance fade characteristics of the electrochemical cell and analyzing the mechanistic level model to estimate performance fade characteristics over aging of a similar electrochemical cell. The mechanistic level model uses first constant-current pulses applied to the electrochemical cell at a first aging period and at three or more current values bracketing a first exchange current density. The mechanistic level model also is based on second constant-current pulses applied to the electrochemical cell at a second aging period and at three or more current values bracketing the second exchange current density.

Big Data Usage Patterns in the Health Care Domain: A Use Case Driven Approach Applied to the Assessment of Vaccination Benefits and Risks

PubMed Central

Liyanage, H.; Liaw, S-T.; Kuziemsky, C.; Mold, F.; Krause, P.; Fleming, D.; Jones, S.

2014-01-01

Summary Background Generally benefits and risks of vaccines can be determined from studies carried out as part of regulatory compliance, followed by surveillance of routine data; however there are some rarer and more long term events that require new methods. Big data generated by increasingly affordable personalised computing, and from pervasive computing devices is rapidly growing and low cost, high volume, cloud computing makes the processing of these data inexpensive. Objective To describe how big data and related analytical methods might be applied to assess the benefits and risks of vaccines. Method: We reviewed the literature on the use of big data to improve health, applied to generic vaccine use cases, that illustrate benefits and risks of vaccination. We defined a use case as the interaction between a user and an information system to achieve a goal. We used flu vaccination and pre-school childhood immunisation as exemplars. Results We reviewed three big data use cases relevant to assessing vaccine benefits and risks: (i) Big data processing using crowd-sourcing, distributed big data processing, and predictive analytics, (ii) Data integration from heterogeneous big data sources, e.g. the increasing range of devices in the “internet of things”, and (iii) Real-time monitoring for the direct monitoring of epidemics as well as vaccine effects via social media and other data sources. Conclusions Big data raises new ethical dilemmas, though its analysis methods can bring complementary real-time capabilities for monitoring epidemics and assessing vaccine benefit-risk balance. PMID:25123718

Aerodynamic design of turbomachinery blading in three-dimensional flow - An application to radial inflow turbines

NASA Technical Reports Server (NTRS)

Yang, Y. L.; Tan, C. S.; Hawthorne, W. R.

1992-01-01

A computational method, based on a theory for turbomachinery blading design in three-dimensional inviscid flow, is applied to a parametric design study of a radial inflow turbine wheel. As the method requires the specification of swirl distribution, a technique for its smooth generation within the blade region is proposed. Excellent agreements have been obtained between the computed results from this design method and those from direct Euler computations, demonstrating the correspondence and consistency between the two. The computed results indicate the sensitivity of the pressure distribution to a lean in the stacking axis and a minor alteration in the hub/shroud profiles. Analysis based on Navier-Stokes solver shows no breakdown of flow within the designed blade passage and agreement with that from design calculation; thus the flow in the designed turbine rotor closely approximates that of an inviscid one. These calculations illustrate the use of a design method coupled to an analysis tool for establishing guidelines and criteria for designing turbomachinery blading.

A new method for computing the reliability of consecutive k-out-of-n:F systems

NASA Astrophysics Data System (ADS)

Gökdere, Gökhan; Gürcan, Mehmet; Kılıç, Muhammet Burak

2016-01-01

In many physical systems, reliability evaluation, such as ones encountered in telecommunications, the design of integrated circuits, microwave relay stations, oil pipeline systems, vacuum systems in accelerators, computer ring networks, and spacecraft relay stations, have had applied consecutive k-out-of-n system models. These systems are characterized as logical connections among the components of the systems placed in lines or circles. In literature, a great deal of attention has been paid to the study of the reliability evaluation of consecutive k-out-of-n systems. In this paper, we propose a new method to compute the reliability of consecutive k-out-of-n:F systems, with n linearly and circularly arranged components. The proposed method provides a simple way for determining the system failure probability. Also, we write R-Project codes based on our proposed method to compute the reliability of the linear and circular systems which have a great number of components.

APA Summit on Medical Student Education Task Force on Informatics and Technology: Learning about Computers and Applying Computer Technology to Education and Practice

ERIC Educational Resources Information Center

Hilty, Donald M.; Hales, Deborah J.; Briscoe, Greg; Benjamin, Sheldon; Boland, Robert J.; Luo, John S.; Chan, Carlyle H.; Kennedy, Robert S.; Karlinsky, Harry; Gordon, Daniel B.; Yager, Joel; Yellowlees, Peter M.

2006-01-01

Objective: This article provides a brief overview of important issues for educators regarding medical education and technology. Methods: The literature describes key concepts, prototypical technology tools, and model programs. A work group of psychiatric educators was convened three times by phone conference to discuss the literature. Findings…

Automatic analysis of ciliary beat frequency using optical flow

NASA Astrophysics Data System (ADS)

Figl, Michael; Lechner, Manuel; Werther, Tobias; Horak, Fritz; Hummel, Johann; Birkfellner, Wolfgang

2012-02-01

Ciliary beat frequency (CBF) can be a useful parameter for diagnosis of several diseases, as e.g. primary ciliary dyskinesia. (PCD). CBF computation is usually done using manual evaluation of high speed video sequences, a tedious, observer dependent, and not very accurate procedure. We used the OpenCV's pyramidal implementation of the Lukas-Kanade algorithm for optical flow computation and applied this to certain objects to follow the movements. The objects were chosen by their contrast applying the corner detection by Shi and Tomasi. Discrimination between background/noise and cilia by a frequency histogram allowed to compute the CBF. Frequency analysis was done using the Fourier transform in matlab. The correct number of Fourier summands was found by the slope in an approximation curve. The method showed to be usable to distinguish between healthy and diseased samples. However there remain difficulties in automatically identifying the cilia, and also in finding enough high contrast cilia in the image. Furthermore the some of the higher contrast cilia are lost (and sometimes found) by the method, an easy way to distinguish the correct sub-path of a point's path have yet to be found in the case where the slope methods doesn't work.

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

NASA Astrophysics Data System (ADS)

Jogesh Babu, G.

2017-01-01

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

Phase-locked-loop interferometry applied to aspheric testing with a computer-stored compensator.

PubMed

Servin, M; Malacara, D; Rodriguez-Vera, R

1994-05-01

A recently developed technique for continuous-phase determination of interferograms with a digital phase-locked loop (PLL) is applied to the null testing of aspheres. Although this PLL demodulating scheme is also a synchronous or direct interferometric technique, the separate unwrapping process is not explicitly required. The unwrapping and the phase-detection processes are achieved simultaneously within the PLL. The proposed method uses a computer-generated holographic compensator. The holographic compensator does not need to be printed out by any means; it is calculated and used from the computer. This computer-stored compensator is used as the reference signal to phase demodulate a sample interferogram obtained from the asphere being tested. Consequently the demodulated phase contains information about the wave-front departures from the ideal computer-stored aspheric interferogram. Wave-front differences of ~ 1 λ are handled easily by the proposed PLL scheme. The maximum recorded frequency in the template's interferogram as well as in the sampled interferogram are assumed to be below the Nyquist frequency.

Newton's method applied to finite-difference approximations for the steady-state compressible Navier-Stokes equations

NASA Technical Reports Server (NTRS)

Bailey, Harry E.; Beam, Richard M.

1991-01-01

Finite-difference approximations for steady-state compressible Navier-Stokes equations, whose two spatial dimensions are written in generalized curvilinear coordinates and strong conservation-law form, are presently solved by means of Newton's method in order to obtain a lifting-airfoil flow field under subsonic and transonnic conditions. In addition to ascertaining the computational requirements of an initial guess ensuring convergence and the degree of computational efficiency obtainable via the approximate Newton method's freezing of the Jacobian matrices, attention is given to the need for auxiliary methods assessing the temporal stability of steady-state solutions. It is demonstrated that nonunique solutions of the finite-difference equations are obtainable by Newton's method in conjunction with a continuation method.

A computationally efficient parallel Levenberg-Marquardt algorithm for highly parameterized inverse model analyses

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

Lin, Youzuo; O'Malley, Daniel; Vesselinov, Velimir V.

Inverse modeling seeks model parameters given a set of observations. However, for practical problems because the number of measurements is often large and the model parameters are also numerous, conventional methods for inverse modeling can be computationally expensive. We have developed a new, computationally-efficient parallel Levenberg-Marquardt method for solving inverse modeling problems with a highly parameterized model space. Levenberg-Marquardt methods require the solution of a linear system of equations which can be prohibitively expensive to compute for moderate to large-scale problems. Our novel method projects the original linear problem down to a Krylov subspace, such that the dimensionality of themore » problem can be significantly reduced. Furthermore, we store the Krylov subspace computed when using the first damping parameter and recycle the subspace for the subsequent damping parameters. The efficiency of our new inverse modeling algorithm is significantly improved using these computational techniques. We apply this new inverse modeling method to invert for random transmissivity fields in 2D and a random hydraulic conductivity field in 3D. Our algorithm is fast enough to solve for the distributed model parameters (transmissivity) in the model domain. The algorithm is coded in Julia and implemented in the MADS computational framework (http://mads.lanl.gov). By comparing with Levenberg-Marquardt methods using standard linear inversion techniques such as QR or SVD methods, our Levenberg-Marquardt method yields a speed-up ratio on the order of ~10 1 to ~10 2 in a multi-core computational environment. Furthermore, our new inverse modeling method is a powerful tool for characterizing subsurface heterogeneity for moderate- to large-scale problems.« less

A computationally efficient parallel Levenberg-Marquardt algorithm for highly parameterized inverse model analyses

DOE PAGES

Lin, Youzuo; O'Malley, Daniel; Vesselinov, Velimir V.

2016-09-01

Inverse modeling seeks model parameters given a set of observations. However, for practical problems because the number of measurements is often large and the model parameters are also numerous, conventional methods for inverse modeling can be computationally expensive. We have developed a new, computationally-efficient parallel Levenberg-Marquardt method for solving inverse modeling problems with a highly parameterized model space. Levenberg-Marquardt methods require the solution of a linear system of equations which can be prohibitively expensive to compute for moderate to large-scale problems. Our novel method projects the original linear problem down to a Krylov subspace, such that the dimensionality of themore » problem can be significantly reduced. Furthermore, we store the Krylov subspace computed when using the first damping parameter and recycle the subspace for the subsequent damping parameters. The efficiency of our new inverse modeling algorithm is significantly improved using these computational techniques. We apply this new inverse modeling method to invert for random transmissivity fields in 2D and a random hydraulic conductivity field in 3D. Our algorithm is fast enough to solve for the distributed model parameters (transmissivity) in the model domain. The algorithm is coded in Julia and implemented in the MADS computational framework (http://mads.lanl.gov). By comparing with Levenberg-Marquardt methods using standard linear inversion techniques such as QR or SVD methods, our Levenberg-Marquardt method yields a speed-up ratio on the order of ~10 1 to ~10 2 in a multi-core computational environment. Furthermore, our new inverse modeling method is a powerful tool for characterizing subsurface heterogeneity for moderate- to large-scale problems.« less

A Lagrangian meshfree method applied to linear and nonlinear elasticity.

PubMed

Walker, Wade A

2017-01-01

The repeated replacement method (RRM) is a Lagrangian meshfree method which we have previously applied to the Euler equations for compressible fluid flow. In this paper we present new enhancements to RRM, and we apply the enhanced method to both linear and nonlinear elasticity. We compare the results of ten test problems to those of analytic solvers, to demonstrate that RRM can successfully simulate these elastic systems without many of the requirements of traditional numerical methods such as numerical derivatives, equation system solvers, or Riemann solvers. We also show the relationship between error and computational effort for RRM on these systems, and compare RRM to other methods to highlight its strengths and weaknesses. And to further explain the two elastic equations used in the paper, we demonstrate the mathematical procedure used to create Riemann and Sedov-Taylor solvers for them, and detail the numerical techniques needed to embody those solvers in code.

A Lagrangian meshfree method applied to linear and nonlinear elasticity

PubMed Central

2017-01-01

The repeated replacement method (RRM) is a Lagrangian meshfree method which we have previously applied to the Euler equations for compressible fluid flow. In this paper we present new enhancements to RRM, and we apply the enhanced method to both linear and nonlinear elasticity. We compare the results of ten test problems to those of analytic solvers, to demonstrate that RRM can successfully simulate these elastic systems without many of the requirements of traditional numerical methods such as numerical derivatives, equation system solvers, or Riemann solvers. We also show the relationship between error and computational effort for RRM on these systems, and compare RRM to other methods to highlight its strengths and weaknesses. And to further explain the two elastic equations used in the paper, we demonstrate the mathematical procedure used to create Riemann and Sedov-Taylor solvers for them, and detail the numerical techniques needed to embody those solvers in code. PMID:29045443

Efficient combination of a 3D Quasi-Newton inversion algorithm and a vector dual-primal finite element tearing and interconnecting method

NASA Astrophysics Data System (ADS)

Voznyuk, I.; Litman, A.; Tortel, H.

2015-08-01

A Quasi-Newton method for reconstructing the constitutive parameters of three-dimensional (3D) penetrable scatterers from scattered field measurements is presented. This method is adapted for handling large-scale electromagnetic problems while keeping the memory requirement and the time flexibility as low as possible. The forward scattering problem is solved by applying the finite-element tearing and interconnecting full-dual-primal (FETI-FDP2) method which shares the same spirit as the domain decomposition methods for finite element methods. The idea is to split the computational domain into smaller non-overlapping sub-domains in order to simultaneously solve local sub-problems. Various strategies are proposed in order to efficiently couple the inversion algorithm with the FETI-FDP2 method: a separation into permanent and non-permanent subdomains is performed, iterative solvers are favorized for resolving the interface problem and a marching-on-in-anything initial guess selection further accelerates the process. The computational burden is also reduced by applying the adjoint state vector methodology. Finally, the inversion algorithm is confronted to measurements extracted from the 3D Fresnel database.

Implementation of radiation shielding calculation methods. Volume 2: Seminar/Workshop notes

NASA Technical Reports Server (NTRS)

Capo, M. A.; Disney, R. K.

1971-01-01

Detailed descriptions are presented of the input data for each of the MSFC computer codes applied to the analysis of a realistic nuclear propelled vehicle. The analytical techniques employed include cross section data, preparation, one and two dimensional discrete ordinates transport, point kernel, and single scatter methods.

Numerical Modelling of Mechanical Properties of C-Pd Film by Homogenization Technique and Finite Element Method

NASA Astrophysics Data System (ADS)

Rymarczyk, Joanna; Kowalczyk, Piotr; Czerwosz, Elzbieta; Bielski, Włodzimierz

2011-09-01

The nanomechanical properties of nanostructural carbonaceous-palladium films are studied. The nanoindentation experiments are numerically using the Finite Element Method. The homogenization theory is applied to compute the properties of the composite material used as the input data for nanoindentation calculations.

A study on automated anatomical labeling to arteries concerning with colon from 3D abdominal CT images

NASA Astrophysics Data System (ADS)

Hoang, Bui Huy; Oda, Masahiro; Jiang, Zhengang; Kitasaka, Takayuki; Misawa, Kazunari; Fujiwara, Michitaka; Mori, Kensaku

2011-03-01

This paper presents an automated anatomical labeling method of arteries extracted from contrasted 3D CT images based on multi-class AdaBoost. In abdominal surgery, understanding of vasculature related to a target organ such as the colon is very important. Therefore, the anatomical structure of blood vessels needs to be understood by computers in a system supporting abdominal surgery. There are several researches on automated anatomical labeling, but there is no research on automated anatomical labeling to arteries concerning with the colon. The proposed method obtains a tree structure of arteries from the artery region and calculates features values of each branch. These feature values are thickness, curvature, direction, and running vectors of branch. Then, candidate arterial names are computed by classifiers that are trained to output artery names. Finally, a global optimization process is applied to the candidate arterial names to determine final names. Target arteries of this paper are nine lower abdominal arteries (AO, LCIA, RCIA, LEIA, REIA, SMA, IMA, LIIA, RIIA). We applied the proposed method to 14 cases of 3D abdominal contrasted CT images, and evaluated the results by leave-one-out scheme. The average precision and recall rates of the proposed method were 87.9% and 93.3%, respectively. The results of this method are applicable for anatomical name display of surgical simulation and computer aided surgery.

Progress in computational toxicology.

PubMed

Ekins, Sean

2014-01-01

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

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).

Computational neuroscience across the lifespan: Promises and pitfalls.

PubMed

van den Bos, Wouter; Bruckner, Rasmus; Nassar, Matthew R; Mata, Rui; Eppinger, Ben

2017-10-13

In recent years, the application of computational modeling in studies on age-related changes in decision making and learning has gained in popularity. One advantage of computational models is that they provide access to latent variables that cannot be directly observed from behavior. In combination with experimental manipulations, these latent variables can help to test hypotheses about age-related changes in behavioral and neurobiological measures at a level of specificity that is not achievable with descriptive analysis approaches alone. This level of specificity can in turn be beneficial to establish the identity of the corresponding behavioral and neurobiological mechanisms. In this paper, we will illustrate applications of computational methods using examples of lifespan research on risk taking, strategy selection and reinforcement learning. We will elaborate on problems that can occur when computational neuroscience methods are applied to data of different age groups. Finally, we will discuss potential targets for future applications and outline general shortcomings of computational neuroscience methods for research on human lifespan development. Copyright © 2017 The Authors. Published by Elsevier Ltd.. All rights reserved.

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.

Fixed-Base Comb with Window-Non-Adjacent Form (NAF) Method for Scalar Multiplication

PubMed Central

Seo, Hwajeong; Kim, Hyunjin; Park, Taehwan; Lee, Yeoncheol; Liu, Zhe; Kim, Howon

2013-01-01

Elliptic curve cryptography (ECC) is one of the most promising public-key techniques in terms of short key size and various crypto protocols. For this reason, many studies on the implementation of ECC on resource-constrained devices within a practical execution time have been conducted. To this end, we must focus on scalar multiplication, which is the most expensive operation in ECC. A number of studies have proposed pre-computation and advanced scalar multiplication using a non-adjacent form (NAF) representation, and more sophisticated approaches have employed a width-w NAF representation and a modified pre-computation table. In this paper, we propose a new pre-computation method in which zero occurrences are much more frequent than in previous methods. This method can be applied to ordinary group scalar multiplication, but it requires large pre-computation table, so we combined the previous method with ours for practical purposes. This novel structure establishes a new feature that adjusts speed performance and table size finely, so we can customize the pre-computation table for our own purposes. Finally, we can establish a customized look-up table for embedded microprocessors. PMID:23881143

A comparison of high-frequency cross-correlation measures

NASA Astrophysics Data System (ADS)

Precup, Ovidiu V.; Iori, Giulia

2004-12-01

On a high-frequency scale the time series are not homogeneous, therefore standard correlation measures cannot be directly applied to the raw data. There are two ways to deal with this problem. The time series can be homogenised through an interpolation method (An Introduction to High-Frequency Finance, Academic Press, NY, 2001) (linear or previous tick) and then the Pearson correlation statistic computed. Recently, methods that can handle raw non-synchronous time series have been developed (Int. J. Theor. Appl. Finance 6(1) (2003) 87; J. Empirical Finance 4 (1997) 259). This paper compares two traditional methods that use interpolation with an alternative method applied directly to the actual time series.

Two-spectral Yang-Baxter operators in topological quantum computation

NASA Astrophysics Data System (ADS)

Sanchez, William F.

2011-05-01

One of the current trends in quantum computing is the application of algebraic topological methods in the design of new algorithms and quantum computers, giving rise to topological quantum computing. One of the tools used in it is the Yang-Baxter equation whose solutions are interpreted as universal quantum gates. Lately, more general Yang-Baxter equations have been investigated, making progress as two-spectral equations and Yang-Baxter systems. This paper intends to apply these new findings to the field of topological quantum computation, more specifically, the proposition of the two-spectral Yang-Baxter operators as universal quantum gates for 2 qubits and 2 qutrits systems, obtaining 4x4 and 9x9 matrices respectively, and further elaboration of the corresponding Hamiltonian by the use of computer algebra software Mathematica® and its Qucalc package. In addition, possible physical systems to which the Yang-Baxter operators obtained can be applied are considered. In the present work it is demonstrated the utility of the Yang-Baxter equation to generate universal quantum gates and the power of computer algebra to design them; it is expected that these mathematical studies contribute to the further development of quantum computers

A high-order strong stability preserving Runge-Kutta method for three-dimensional full waveform modeling and inversion of anelastic models

NASA Astrophysics Data System (ADS)

Wang, N.; Shen, Y.; Yang, D.; Bao, X.; Li, J.; Zhang, W.

2017-12-01

Accurate and efficient forward modeling methods are important for high resolution full waveform inversion. Compared with the elastic case, solving anelastic wave equation requires more computational time, because of the need to compute additional material-independent anelastic functions. A numerical scheme with a large Courant-Friedrichs-Lewy (CFL) condition number enables us to use a large time step to simulate wave propagation, which improves computational efficiency. In this work, we apply the fourth-order strong stability preserving Runge-Kutta method with an optimal CFL coeffiecient to solve the anelastic wave equation. We use a fourth order DRP/opt MacCormack scheme for the spatial discretization, and we approximate the rheological behaviors of the Earth by using the generalized Maxwell body model. With a larger CFL condition number, we find that the computational efficient is significantly improved compared with the traditional fourth-order Runge-Kutta method. Then, we apply the scattering-integral method for calculating travel time and amplitude sensitivity kernels with respect to velocity and attenuation structures. For each source, we carry out one forward simulation and save the time-dependent strain tensor. For each station, we carry out three `backward' simulations for the three components and save the corresponding strain tensors. The sensitivity kernels at each point in the medium are the convolution of the two sets of the strain tensors. Finally, we show several synthetic tests to verify the effectiveness of the strong stability preserving Runge-Kutta method in generating accurate synthetics in full waveform modeling, and in generating accurate strain tensors for calculating sensitivity kernels at regional and global scales.

Comparison of Response Surface and Kriging Models for Multidisciplinary Design Optimization

NASA Technical Reports Server (NTRS)

Simpson, Timothy W.; Korte, John J.; Mauery, Timothy M.; Mistree, Farrokh

1998-01-01

In this paper, we compare and contrast the use of second-order response surface models and kriging models for approximating non-random, deterministic computer analyses. After reviewing the response surface method for constructing polynomial approximations, kriging is presented as an alternative approximation method for the design and analysis of computer experiments. Both methods are applied to the multidisciplinary design of an aerospike nozzle which consists of a computational fluid dynamics model and a finite-element model. Error analysis of the response surface and kriging models is performed along with a graphical comparison of the approximations, and four optimization problems m formulated and solved using both sets of approximation models. The second-order response surface models and kriging models-using a constant underlying global model and a Gaussian correlation function-yield comparable results.

Efficient Transition Probability Computation for Continuous-Time Branching Processes via Compressed Sensing.

PubMed

Xu, Jason; Minin, Vladimir N

2015-07-01

Branching processes are a class of continuous-time Markov chains (CTMCs) with ubiquitous applications. A general difficulty in statistical inference under partially observed CTMC models arises in computing transition probabilities when the discrete state space is large or uncountable. Classical methods such as matrix exponentiation are infeasible for large or countably infinite state spaces, and sampling-based alternatives are computationally intensive, requiring integration over all possible hidden events. Recent work has successfully applied generating function techniques to computing transition probabilities for linear multi-type branching processes. While these techniques often require significantly fewer computations than matrix exponentiation, they also become prohibitive in applications with large populations. We propose a compressed sensing framework that significantly accelerates the generating function method, decreasing computational cost up to a logarithmic factor by only assuming the probability mass of transitions is sparse. We demonstrate accurate and efficient transition probability computations in branching process models for blood cell formation and evolution of self-replicating transposable elements in bacterial genomes.

Efficient Transition Probability Computation for Continuous-Time Branching Processes via Compressed Sensing

PubMed Central

Xu, Jason; Minin, Vladimir N.

2016-01-01

Branching processes are a class of continuous-time Markov chains (CTMCs) with ubiquitous applications. A general difficulty in statistical inference under partially observed CTMC models arises in computing transition probabilities when the discrete state space is large or uncountable. Classical methods such as matrix exponentiation are infeasible for large or countably infinite state spaces, and sampling-based alternatives are computationally intensive, requiring integration over all possible hidden events. Recent work has successfully applied generating function techniques to computing transition probabilities for linear multi-type branching processes. While these techniques often require significantly fewer computations than matrix exponentiation, they also become prohibitive in applications with large populations. We propose a compressed sensing framework that significantly accelerates the generating function method, decreasing computational cost up to a logarithmic factor by only assuming the probability mass of transitions is sparse. We demonstrate accurate and efficient transition probability computations in branching process models for blood cell formation and evolution of self-replicating transposable elements in bacterial genomes. PMID:26949377

Parallel implementation of geometrical shock dynamics for two dimensional converging shock waves

NASA Astrophysics Data System (ADS)

Qiu, Shi; Liu, Kuang; Eliasson, Veronica

2016-10-01

Geometrical shock dynamics (GSD) theory is an appealing method to predict the shock motion in the sense that it is more computationally efficient than solving the traditional Euler equations, especially for converging shock waves. However, to solve and optimize large scale configurations, the main bottleneck is the computational cost. Among the existing numerical GSD schemes, there is only one that has been implemented on parallel computers, with the purpose to analyze detonation waves. To extend the computational advantage of the GSD theory to more general applications such as converging shock waves, a numerical implementation using a spatial decomposition method has been coupled with a front tracking approach on parallel computers. In addition, an efficient tridiagonal system solver for massively parallel computers has been applied to resolve the most expensive function in this implementation, resulting in an efficiency of 0.93 while using 32 HPCC cores. Moreover, symmetric boundary conditions have been developed to further reduce the computational cost, achieving a speedup of 19.26 for a 12-sided polygonal converging shock.

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

PubMed

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

2013-04-01

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

Intercomparison of Multiscale Modeling Approaches in Simulating Subsurface Flow and Transport

NASA Astrophysics Data System (ADS)

Yang, X.; Mehmani, Y.; Barajas-Solano, D. A.; Song, H. S.; Balhoff, M.; Tartakovsky, A. M.; Scheibe, T. D.

2016-12-01

Hybrid multiscale simulations that couple models across scales are critical to advance predictions of the larger system behavior using understanding of fundamental processes. In the current study, three hybrid multiscale methods are intercompared: multiscale loose-coupling method, multiscale finite volume (MsFV) method and multiscale mortar method. The loose-coupling method enables a parallel workflow structure based on the Swift scripting environment that manages the complex process of executing coupled micro- and macro-scale models without being intrusive to the at-scale simulators. The MsFV method applies microscale and macroscale models over overlapping subdomains of the modeling domain and enforces continuity of concentration and transport fluxes between models via restriction and prolongation operators. The mortar method is a non-overlapping domain decomposition approach capable of coupling all permutations of pore- and continuum-scale models with each other. In doing so, Lagrange multipliers are used at interfaces shared between the subdomains so as to establish continuity of species/fluid mass flux. Subdomain computations can be performed either concurrently or non-concurrently depending on the algorithm used. All the above methods have been proven to be accurate and efficient in studying flow and transport in porous media. However, there has not been any field-scale applications and benchmarking among various hybrid multiscale approaches. To address this challenge, we apply all three hybrid multiscale methods to simulate water flow and transport in a conceptualized 2D modeling domain of the hyporheic zone, where strong interactions between groundwater and surface water exist across multiple scales. In all three multiscale methods, fine-scale simulations are applied to a thin layer of riverbed alluvial sediments while the macroscopic simulations are used for the larger subsurface aquifer domain. Different numerical coupling methods are then applied between scales and inter-compared. Comparisons are drawn in terms of velocity distributions, solute transport behavior, algorithm-induced numerical error and computing cost. The intercomparison work provides support for confidence in a variety of hybrid multiscale methods and motivates further development and applications.

Occupancy mapping and surface reconstruction using local Gaussian processes with Kinect sensors.

PubMed

Kim, Soohwan; Kim, Jonghyuk

2013-10-01

Although RGB-D sensors have been successfully applied to visual SLAM and surface reconstruction, most of the applications aim at visualization. In this paper, we propose a noble method of building continuous occupancy maps and reconstructing surfaces in a single framework for both navigation and visualization. Particularly, we apply a Bayesian nonparametric approach, Gaussian process classification, to occupancy mapping. However, it suffers from high-computational complexity of O(n(3))+O(n(2)m), where n and m are the numbers of training and test data, respectively, limiting its use for large-scale mapping with huge training data, which is common with high-resolution RGB-D sensors. Therefore, we partition both training and test data with a coarse-to-fine clustering method and apply Gaussian processes to each local clusters. In addition, we consider Gaussian processes as implicit functions, and thus extract iso-surfaces from the scalar fields, continuous occupancy maps, using marching cubes. By doing that, we are able to build two types of map representations within a single framework of Gaussian processes. Experimental results with 2-D simulated data show that the accuracy of our approximated method is comparable to previous work, while the computational time is dramatically reduced. We also demonstrate our method with 3-D real data to show its feasibility in large-scale environments.

On the prediction of far field computational aeroacoustics of advanced propellers

NASA Technical Reports Server (NTRS)

Jaeger, Stephen M.; Korkan, Kenneth D.

1990-01-01

A numerical method for determining the acoustic far field generated by a high-speed subsonic aircraft propeller was developed. The approach used in this method was to generate the entire three-dimensional pressure field about the propeller (using an Euler flowfield solver) and then to apply a solution of the wave equation on a cylindrical surface enveloping the propeller. The method is applied to generate the three-dimensional flowfield between two blades of an advanced propeller. The results are compared with experimental data obtained in a wind-tunnel test at a Mach number of 0.6.

Reduced-Order Models Based on Linear and Nonlinear Aerodynamic Impulse Responses

NASA Technical Reports Server (NTRS)

Silva, Walter A.

1999-01-01

This paper discusses a method for the identification and application of reduced-order models based on linear and nonlinear aerodynamic impulse responses. The Volterra theory of nonlinear systems and an appropriate kernel identification technique are described. Insight into the nature of kernels is provided by applying the method to the nonlinear Riccati equation in a non-aerodynamic application. The method is then applied to a nonlinear aerodynamic model of RAE 2822 supercritical airfoil undergoing plunge motions using the CFL3D Navier-Stokes flow solver with the Spalart-Allmaras turbulence model. Results demonstrate the computational efficiency of the technique.

Reduced Order Models Based on Linear and Nonlinear Aerodynamic Impulse Responses

NASA Technical Reports Server (NTRS)

Silva, Walter A.

1999-01-01

This paper discusses a method for the identification and application of reduced-order models based on linear and nonlinear aerodynamic impulse responses. The Volterra theory of nonlinear systems and an appropriate kernel identification technique are described. Insight into the nature of kernels is provided by applying the method to the nonlinear Riccati equation in a non-aerodynamic application. The method is then applied to a nonlinear aerodynamic model of an RAE 2822 supercritical airfoil undergoing plunge motions using the CFL3D Navier-Stokes flow solver with the Spalart-Allmaras turbulence model. Results demonstrate the computational efficiency of the technique.

Orbital and maxillofacial computer aided surgery: patient-specific finite element models to predict surgical outcomes.

PubMed

Luboz, Vincent; Chabanas, Matthieu; Swider, Pascal; Payan, Yohan

2005-08-01

This paper addresses an important issue raised for the clinical relevance of Computer-Assisted Surgical applications, namely the methodology used to automatically build patient-specific finite element (FE) models of anatomical structures. From this perspective, a method is proposed, based on a technique called the mesh-matching method, followed by a process that corrects mesh irregularities. The mesh-matching algorithm generates patient-specific volume meshes from an existing generic model. The mesh regularization process is based on the Jacobian matrix transform related to the FE reference element and the current element. This method for generating patient-specific FE models is first applied to computer-assisted maxillofacial surgery, and more precisely, to the FE elastic modelling of patient facial soft tissues. For each patient, the planned bone osteotomies (mandible, maxilla, chin) are used as boundary conditions to deform the FE face model, in order to predict the aesthetic outcome of the surgery. Seven FE patient-specific models were successfully generated by our method. For one patient, the prediction of the FE model is qualitatively compared with the patient's post-operative appearance, measured from a computer tomography scan. Then, our methodology is applied to computer-assisted orbital surgery. It is, therefore, evaluated for the generation of 11 patient-specific FE poroelastic models of the orbital soft tissues. These models are used to predict the consequences of the surgical decompression of the orbit. More precisely, an average law is extrapolated from the simulations carried out for each patient model. This law links the size of the osteotomy (i.e. the surgical gesture) and the backward displacement of the eyeball (the consequence of the surgical gesture).

USSR and Eastern Europe Scientific Abstracts, Cybernetics, Computers, and Automation Technology, Number 27

DTIC Science & Technology

1977-05-10

apply this method of forecast- ing in the solution of all major scientific-technical problems of the na- tional economy. Citing the slow...the future, however, computers will "mature" and learn to recognize patterns in what amounts to a much more complex language—the language of visual...images. Photoelectronic tracking devices or "eyes" will allow the computer to take in information in a much more complex form and to perform opera

New Flutter Analysis Technique for Time-Domain Computational Aeroelasticity

NASA Technical Reports Server (NTRS)

Pak, Chan-Gi; Lung, Shun-Fat

2017-01-01

A new time-domain approach for computing flutter speed is presented. Based on the time-history result of aeroelastic simulation, the unknown unsteady aerodynamics model is estimated using a system identification technique. The full aeroelastic model is generated via coupling the estimated unsteady aerodynamic model with the known linear structure model. The critical dynamic pressure is computed and used in the subsequent simulation until the convergence of the critical dynamic pressure is achieved. The proposed method is applied to a benchmark cantilevered rectangular wing.

Stability and Hopf bifurcation for a delayed SLBRS computer virus model.

PubMed

Zhang, Zizhen; Yang, Huizhong

2014-01-01

By incorporating the time delay due to the period that computers use antivirus software to clean the virus into the SLBRS model a delayed SLBRS computer virus model is proposed in this paper. The dynamical behaviors which include local stability and Hopf bifurcation are investigated by regarding the delay as bifurcating parameter. Specially, direction and stability of the Hopf bifurcation are derived by applying the normal form method and center manifold theory. Finally, an illustrative example is also presented to testify our analytical results.

Computation of geometric representation of novel spectrophotometric methods used for the analysis of minor components in pharmaceutical preparations.

PubMed

Lotfy, Hayam M; Saleh, Sarah S; Hassan, Nagiba Y; Salem, Hesham

2015-01-01

Novel spectrophotometric methods were applied for the determination of the minor component tetryzoline HCl (TZH) in its ternary mixture with ofloxacin (OFX) and prednisolone acetate (PA) in the ratio of (1:5:7.5), and in its binary mixture with sodium cromoglicate (SCG) in the ratio of (1:80). The novel spectrophotometric methods determined the minor component (TZH) successfully in the two selected mixtures by computing the geometrical relationship of either standard addition or subtraction. The novel spectrophotometric methods are: geometrical amplitude modulation (GAM), geometrical induced amplitude modulation (GIAM), ratio H-point standard addition method (RHPSAM) and compensated area under the curve (CAUC). The proposed methods were successfully applied for the determination of the minor component TZH below its concentration range. The methods were validated as per ICH guidelines where accuracy, repeatability, inter-day precision and robustness were found to be within the acceptable limits. The results obtained from the proposed methods were statistically compared with official ones where no significant difference was observed. No difference was observed between the obtained results when compared to the reported HPLC method, which proved that the developed methods could be alternative to HPLC techniques in quality control laboratories. Copyright © 2015 Elsevier B.V. All rights reserved.

Persons Camp Using Interpolation Method

NASA Astrophysics Data System (ADS)

Tawfiq, Luma Naji Mohammed; Najm Abood, Israa

2018-05-01

The aim of this paper is to estimate the rate of contaminated soils by using suitable interpolation method as an alternative accurate tool to evaluate the concentration of heavy metals in soil then compared with standard universal value to determine the rate of contamination in the soil. In particular, interpolation methods are extensively applied in the models of the different phenomena where experimental data must be used in computer studies where expressions of those data are required. In this paper the extended divided difference method in two dimensions is used to solve suggested problem. Then, the modification method is applied to estimate the rate of contaminated soils of displaced persons camp in Diyala Governorate, in Iraq.

Random Numbers and Monte Carlo Methods

NASA Astrophysics Data System (ADS)

Scherer, Philipp O. J.

Many-body problems often involve the calculation of integrals of very high dimension which cannot be treated by standard methods. For the calculation of thermodynamic averages Monte Carlo methods are very useful which sample the integration volume at randomly chosen points. After summarizing some basic statistics, we discuss algorithms for the generation of pseudo-random numbers with given probability distribution which are essential for all Monte Carlo methods. We show how the efficiency of Monte Carlo integration can be improved by sampling preferentially the important configurations. Finally the famous Metropolis algorithm is applied to classical many-particle systems. Computer experiments visualize the central limit theorem and apply the Metropolis method to the traveling salesman problem.

Incorporation of local structure into kriging models for the prediction of atomistic properties in the water decamer.

PubMed

Davie, Stuart J; Di Pasquale, Nicodemo; Popelier, Paul L A

2016-10-15

Machine learning algorithms have been demonstrated to predict atomistic properties approaching the accuracy of quantum chemical calculations at significantly less computational cost. Difficulties arise, however, when attempting to apply these techniques to large systems, or systems possessing excessive conformational freedom. In this article, the machine learning method kriging is applied to predict both the intra-atomic and interatomic energies, as well as the electrostatic multipole moments, of the atoms of a water molecule at the center of a 10 water molecule (decamer) cluster. Unlike previous work, where the properties of small water clusters were predicted using a molecular local frame, and where training set inputs (features) were based on atomic index, a variety of feature definitions and coordinate frames are considered here to increase prediction accuracy. It is shown that, for a water molecule at the center of a decamer, no single method of defining features or coordinate schemes is optimal for every property. However, explicitly accounting for the structure of the first solvation shell in the definition of the features of the kriging training set, and centring the coordinate frame on the atom-of-interest will, in general, return better predictions than models that apply the standard methods of feature definition, or a molecular coordinate frame. © 2016 The Authors. Journal of Computational Chemistry Published by Wiley Periodicals, Inc. © 2016 The Authors. Journal of Computational Chemistry Published by Wiley Periodicals, Inc.

A Computationally Efficient Parallel Levenberg-Marquardt Algorithm for Large-Scale Big-Data Inversion

NASA Astrophysics Data System (ADS)

Lin, Y.; O'Malley, D.; Vesselinov, V. V.

2015-12-01

Inverse modeling seeks model parameters given a set of observed state variables. However, for many practical problems due to the facts that the observed data sets are often large and model parameters are often numerous, conventional methods for solving the inverse modeling can be computationally expensive. We have developed a new, computationally-efficient Levenberg-Marquardt method for solving large-scale inverse modeling. Levenberg-Marquardt methods require the solution of a dense linear system of equations which can be prohibitively expensive to compute for large-scale inverse problems. Our novel method projects the original large-scale linear problem down to a Krylov subspace, such that the dimensionality of the measurements can be significantly reduced. Furthermore, instead of solving the linear system for every Levenberg-Marquardt damping parameter, we store the Krylov subspace computed when solving the first damping parameter and recycle it for all the following damping parameters. The efficiency of our new inverse modeling algorithm is significantly improved by using these computational techniques. We apply this new inverse modeling method to invert for a random transitivity field. Our algorithm is fast enough to solve for the distributed model parameters (transitivity) at each computational node in the model domain. The inversion is also aided by the use regularization techniques. The algorithm is coded in Julia and implemented in the MADS computational framework (http://mads.lanl.gov). Julia is an advanced high-level scientific programing language that allows for efficient memory management and utilization of high-performance computational resources. By comparing with a Levenberg-Marquardt method using standard linear inversion techniques, our Levenberg-Marquardt method yields speed-up ratio of 15 in a multi-core computational environment and a speed-up ratio of 45 in a single-core computational environment. Therefore, our new inverse modeling method is a powerful tool for large-scale applications.

Promoting convergence: The Phi spiral in abduction of mouse corneal behaviors

PubMed Central

Rhee, Jerry; Nejad, Talisa Mohammad; Comets, Olivier; Flannery, Sean; Gulsoy, Eine Begum; Iannaccone, Philip; Foster, Craig

2015-01-01

Why do mouse corneal epithelial cells display spiraling patterns? We want to provide an explanation for this curious phenomenon by applying an idealized problem solving process. Specifically, we applied complementary line-fitting methods to measure transgenic epithelial reporter expression arrangements displayed on three mature, live enucleated globes to clarify the problem. Two prominent logarithmic curves were discovered, one of which displayed the ϕ ratio, an indicator of an optimal configuration in phyllotactic systems. We then utilized two different computational approaches to expose our current understanding of the behavior. In one procedure, which involved an isotropic mechanics-based finite element method, we successfully produced logarithmic spiral curves of maximum shear strain based pathlines but computed dimensions displayed pitch angles of 35° (ϕ spiral is ∼17°), which was altered when we fitted the model with published measurements of coarse collagen orientations. We then used model-based reasoning in context of Peircean abduction to select a working hypothesis. Our work serves as a concise example of applying a scientific habit of mind and illustrates nuances of executing a common method to doing integrative science. © 2014 Wiley Periodicals, Inc. Complexity 20: 22–38, 2015 PMID:25755620

GPU-accelerated FDTD modeling of radio-frequency field-tissue interactions in high-field MRI.

PubMed

Chi, Jieru; Liu, Feng; Weber, Ewald; Li, Yu; Crozier, Stuart

2011-06-01

The analysis of high-field RF field-tissue interactions requires high-performance finite-difference time-domain (FDTD) computing. Conventional CPU-based FDTD calculations offer limited computing performance in a PC environment. This study presents a graphics processing unit (GPU)-based parallel-computing framework, producing substantially boosted computing efficiency (with a two-order speedup factor) at a PC-level cost. Specific details of implementing the FDTD method on a GPU architecture have been presented and the new computational strategy has been successfully applied to the design of a novel 8-element transceive RF coil system at 9.4 T. Facilitated by the powerful GPU-FDTD computing, the new RF coil array offers optimized fields (averaging 25% improvement in sensitivity, and 20% reduction in loop coupling compared with conventional array structures of the same size) for small animal imaging with a robust RF configuration. The GPU-enabled acceleration paves the way for FDTD to be applied for both detailed forward modeling and inverse design of MRI coils, which were previously impractical.

[Complex treatment of patients with cholangiogenic hepatic abscess].

PubMed

Nychytaĭlo, M Iu; Skums, A V; Medvets'kyĭ, Ie B; Ohorodnyk, P V; Mashkovs'kyĭ, H Iu; Shkarban, V P; Shkarban, P O; Farzolakh, Mekhraban Jafarlu

2005-07-01

Results of treatment of 47 patients with cholangiogenic hepatic abscess were analyzed. Clinical, laboratory and special methods of investigation were applied for diagnosis. The authors consider ultrasound investigation (USI), computer tomography and the abscess puncture under the USI control with subsequent cytological and bacterial control the decisive methods in diagnosis of hepatic abscess. In complex of treatment of patients miniinvasive technologies were applied--the abscess puncture, its cavity drainage under USI control transcutaneus transhepatic cholangiostomy, endoscopic papillosphincterotomy with lithotripsy and nasobiliary drainage, according to indications. Efficacy of the abscess cavity sanation, using miramistinum and decasan, was proved. In general therapy the directed transport of medicines was applied.

A New Runge-Kutta Discontinuous Galerkin Method with Conservation Constraint to Improve CFL Condition for Solving Conservation Laws

PubMed Central

Xu, Zhiliang; Chen, Xu-Yan; Liu, Yingjie

2014-01-01

We present a new formulation of the Runge-Kutta discontinuous Galerkin (RKDG) method [9, 8, 7, 6] for solving conservation Laws with increased CFL numbers. The new formulation requires the computed RKDG solution in a cell to satisfy additional conservation constraint in adjacent cells and does not increase the complexity or change the compactness of the RKDG method. Numerical computations for solving one-dimensional and two-dimensional scalar and systems of nonlinear hyperbolic conservation laws are performed with approximate solutions represented by piecewise quadratic and cubic polynomials, respectively. The hierarchical reconstruction [17, 33] is applied as a limiter to eliminate spurious oscillations in discontinuous solutions. From both numerical experiments and the analytic estimate of the CFL number of the newly formulated method, we find that: 1) this new formulation improves the CFL number over the original RKDG formulation by at least three times or more and thus reduces the overall computational cost; and 2) the new formulation essentially does not compromise the resolution of the numerical solutions of shock wave problems compared with ones computed by the RKDG method. PMID:25414520

Databases, data integration, and expert systems: new directions in mineral resource assessment and mineral exploration

USGS Publications Warehouse

McCammon, Richard B.; Ramani, Raja V.; Mozumdar, Bijoy K.; Samaddar, Arun B.

1994-01-01

Overcoming future difficulties in searching for ore deposits deeper in the earth's crust will require closer attention to the collection and analysis of more diverse types of data and to more efficient use of current computer technologies. Computer technologies of greatest interest include methods of storage and retrieval of resource information, methods for integrating geologic, geochemical, and geophysical data, and the introduction of advanced computer technologies such as expert systems, multivariate techniques, and neural networks. Much experience has been gained in the past few years in applying these technologies. More experience is needed if they are to be implemented for everyday use in future assessments and exploration.

Medical imaging and computers in the diagnosis of breast cancer

NASA Astrophysics Data System (ADS)

Giger, Maryellen L.

2014-09-01

Computer-aided diagnosis (CAD) and quantitative image analysis (QIA) methods (i.e., computerized methods of analyzing digital breast images: mammograms, ultrasound, and magnetic resonance images) can yield novel image-based tumor and parenchyma characteristics (i.e., signatures that may ultimately contribute to the design of patient-specific breast cancer management plans). The role of QIA/CAD has been expanding beyond screening programs towards applications in risk assessment, diagnosis, prognosis, and response to therapy as well as in data mining to discover relationships of image-based lesion characteristics with genomics and other phenotypes; thus, as they apply to disease states. These various computer-based applications are demonstrated through research examples from the Giger Lab.

An Analysis of Once-per-revolution Oscillating Aerodynamic Thrust Loads on Single-Rotation Propellers on Tractor Airplanes at Zero Yaw

NASA Technical Reports Server (NTRS)

Rogallo, Vernon L; Yaggy, Paul F; Mccloud, John L , III

1956-01-01

A simplified procedure is shown for calculating the once-per-revolution oscillating aerodynamic thrust loads on propellers of tractor airplanes at zero yaw. The only flow field information required for the application of the procedure is a knowledge of the upflow angles at the horizontal center line of the propeller disk. Methods are presented whereby these angles may be computed without recourse to experimental survey of the flow field. The loads computed by the simplified procedure are compared with those computed by a more rigorous method and the procedure is applied to several airplane configurations which are believed typical of current designs. The results are generally satisfactory.

First-arrival traveltime computation for quasi-P waves in 2D transversely isotropic media using Fermat’s principle-based fast marching

NASA Astrophysics Data System (ADS)

Hu, Jiangtao; Cao, Junxing; Wang, Huazhong; Wang, Xingjian; Jiang, Xudong

2017-12-01

First-arrival traveltime computation for quasi-P waves in transversely isotropic (TI) media is the key component of tomography and depth migration. It is appealing to use the fast marching method in isotropic media as it efficiently computes traveltime along an expanding wavefront. It uses the finite difference method to solve the eikonal equation. However, applying the fast marching method in anisotropic media faces challenges because the anisotropy introduces additional nonlinearity in the eikonal equation and solving this nonlinear eikonal equation with the finite difference method is challenging. To address this problem, we present a Fermat’s principle-based fast marching method to compute traveltime in two-dimensional TI media. This method is applicable in both vertical and tilted TI (VTI and TTI) media. It computes traveltime along an expanding wavefront using Fermat’s principle instead of the eikonal equation. Thus, it does not suffer from the nonlinearity of the eikonal equation in TI media. To compute traveltime using Fermat’s principle, the explicit expression of group velocity in TI media is required to describe the ray propagation. The moveout approximation is adopted to obtain the explicit expression of group velocity. Numerical examples on both VTI and TTI models show that the traveltime contour obtained by the proposed method matches well with the wavefront from the wave equation. This shows that the proposed method could be used in depth migration and tomography.

Application of interactive computer graphics in wind-tunnel dynamic model testing

NASA Technical Reports Server (NTRS)

Doggett, R. V., Jr.; Hammond, C. E.

1975-01-01

The computer-controlled data-acquisition system recently installed for use with a transonic dynamics tunnel was described. This includes a discussion of the hardware/software features of the system. A subcritical response damping technique, called the combined randomdec/moving-block method, for use in windtunnel-model flutter testing, that has been implemented on the data-acquisition system, is described in some detail. Some results using the method are presented and the importance of using interactive graphics in applying the technique in near real time during wind-tunnel test operations is discussed.

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.

Continuous and Discontinuous Galerkin Methods for a Scalable Three-Dimensional Nonhydrostatic Atmospheric Model: Limited-Area Mode

DTIC Science & Technology

2012-01-01

atmosphere model, Int. J . High Perform. Comput. Appl. 26 (1) (2012) 74–89. [8] J.M. Dennis, M. Levy, R.D. Nair, H.M. Tufo, T . Voran. Towards and efficient...26] A. Klockner, T . Warburton, J . Bridge, J.S, Hesthaven, Nodal discontinuous galerkin methods on graphics processors, J . Comput. Phys. 228 (21) (2009...mode James F. Kelly, Francis X. Giraldo ⇑ Department of Applied Mathematics, Naval Postgraduate School, Monterey, CA, United States a r t i c l e i n

Aerodynamic design optimization using sensitivity analysis and computational fluid dynamics

NASA Technical Reports Server (NTRS)

Baysal, Oktay; Eleshaky, Mohamed E.

1991-01-01

A new and efficient method is presented for aerodynamic design optimization, which is based on a computational fluid dynamics (CFD)-sensitivity analysis algorithm. The method is applied to design a scramjet-afterbody configuration for an optimized axial thrust. The Euler equations are solved for the inviscid analysis of the flow, which in turn provides the objective function and the constraints. The CFD analysis is then coupled with the optimization procedure that uses a constrained minimization method. The sensitivity coefficients, i.e. gradients of the objective function and the constraints, needed for the optimization are obtained using a quasi-analytical method rather than the traditional brute force method of finite difference approximations. During the one-dimensional search of the optimization procedure, an approximate flow analysis (predicted flow) based on a first-order Taylor series expansion is used to reduce the computational cost. Finally, the sensitivity of the optimum objective function to various design parameters, which are kept constant during the optimization, is computed to predict new optimum solutions. The flow analysis of the demonstrative example are compared with the experimental data. It is shown that the method is more efficient than the traditional methods.

Gaussian Multiscale Aggregation Applied to Segmentation in Hand Biometrics

PubMed Central

de Santos Sierra, Alberto; Ávila, Carmen Sánchez; Casanova, Javier Guerra; del Pozo, Gonzalo Bailador

2011-01-01

This paper presents an image segmentation algorithm based on Gaussian multiscale aggregation oriented to hand biometric applications. The method is able to isolate the hand from a wide variety of background textures such as carpets, fabric, glass, grass, soil or stones. The evaluation was carried out by using a publicly available synthetic database with 408,000 hand images in different backgrounds, comparing the performance in terms of accuracy and computational cost to two competitive segmentation methods existing in literature, namely Lossy Data Compression (LDC) and Normalized Cuts (NCuts). The results highlight that the proposed method outperforms current competitive segmentation methods with regard to computational cost, time performance, accuracy and memory usage. PMID:22247658

Gaussian multiscale aggregation applied to segmentation in hand biometrics.

PubMed

de Santos Sierra, Alberto; Avila, Carmen Sánchez; Casanova, Javier Guerra; del Pozo, Gonzalo Bailador

2011-01-01

This paper presents an image segmentation algorithm based on Gaussian multiscale aggregation oriented to hand biometric applications. The method is able to isolate the hand from a wide variety of background textures such as carpets, fabric, glass, grass, soil or stones. The evaluation was carried out by using a publicly available synthetic database with 408,000 hand images in different backgrounds, comparing the performance in terms of accuracy and computational cost to two competitive segmentation methods existing in literature, namely Lossy Data Compression (LDC) and Normalized Cuts (NCuts). The results highlight that the proposed method outperforms current competitive segmentation methods with regard to computational cost, time performance, accuracy and memory usage.

Method for Making Measurements of the Post-Combustion Residence Time in a Gas Turbine Engine

NASA Technical Reports Server (NTRS)

Miles, Jeffrey H (Inventor)

2015-01-01

A system and method of measuring a residence time in a gas-turbine engine is provided, whereby the method includes placing pressure sensors at a combustor entrance and at a turbine exit of the gas-turbine engine and measuring a combustor pressure at the combustor entrance and a turbine exit pressure at the turbine exit. The method further includes computing cross-spectrum functions between a combustor pressure sensor signal from the measured combustor pressure and a turbine exit pressure sensor signal from the measured turbine exit pressure, applying a linear curve fit to the cross-spectrum functions, and computing a post-combustion residence time from the linear curve fit.

Budget-based power consumption for application execution on a plurality of compute nodes

DOEpatents

Archer, Charles J; Blocksome, Michael A; Peters, Amanda E; Ratterman, Joseph D; Smith, Brian E

2013-02-05

Methods, apparatus, and products are disclosed for budget-based power consumption for application execution on a plurality of compute nodes that include: assigning an execution priority to each of one or more applications; executing, on the plurality of compute nodes, the applications according to the execution priorities assigned to the applications at an initial power level provided to the compute nodes until a predetermined power consumption threshold is reached; and applying, upon reaching the predetermined power consumption threshold, one or more power conservation actions to reduce power consumption of the plurality of compute nodes during execution of the applications.

Budget-based power consumption for application execution on a plurality of compute nodes

DOEpatents

Archer, Charles J; Inglett, Todd A; Ratterman, Joseph D

2012-10-23

Methods, apparatus, and products are disclosed for budget-based power consumption for application execution on a plurality of compute nodes that include: assigning an execution priority to each of one or more applications; executing, on the plurality of compute nodes, the applications according to the execution priorities assigned to the applications at an initial power level provided to the compute nodes until a predetermined power consumption threshold is reached; and applying, upon reaching the predetermined power consumption threshold, one or more power conservation actions to reduce power consumption of the plurality of compute nodes during execution of the applications.

A new method to include the gravitational forces in a finite element model of the scoliotic spine.

PubMed

Clin, Julien; Aubin, Carl-Éric; Lalonde, Nadine; Parent, Stefan; Labelle, Hubert

2011-08-01

The distribution of stresses in the scoliotic spine is still not well known despite its biomechanical importance in the pathomechanisms and treatment of scoliosis. Gravitational forces are one of the sources of these stresses. Existing finite element models (FEMs), when considering gravity, applied these forces on a geometry acquired from radiographs while the patient was already subjected to gravity, which resulted in a deformed spine different from the actual one. A new method to include gravitational forces on a scoliotic trunk FEM and compute the stresses in the spine was consequently developed. The 3D geometry of three scoliotic patients was acquired using a multi-view X-ray 3D reconstruction technique and surface topography. The FEM of the patients' trunk was created using this geometry. A simulation process was developed to apply the gravitational forces at the centers of gravity of each vertebra level. First the "zero-gravity" geometry was determined by applying adequate upwards forces on the initial geometry. The stresses were reset to zero and then the gravity forces were applied to compute the geometry of the spine subjected to gravity. An optimization process was necessary to find the appropriate zero-gravity and gravity geometries. The design variables were the forces applied on the model to find the zero-gravity geometry. After optimization the difference between the vertebral positions acquired from radiographs and the vertebral positions simulated with the model was inferior to 3 mm. The forces and compressive stresses in the scoliotic spine were then computed. There was an asymmetrical load in the coronal plane, particularly, at the apices of the scoliotic curves. Difference of mean compressive stresses between concavity and convexity of the scoliotic curves ranged between 0.1 and 0.2 MPa. In conclusion, a realistic way of integrating gravity in a scoliotic trunk FEM was developed and stresses due to gravity were explicitly computed. This is a valuable improvement for further biomechanical modeling studies of scoliosis.

Computing a Comprehensible Model for Spam Filtering

NASA Astrophysics Data System (ADS)

Ruiz-Sepúlveda, Amparo; Triviño-Rodriguez, José L.; Morales-Bueno, Rafael

In this paper, we describe the application of the Desicion Tree Boosting (DTB) learning model to spam email filtering.This classification task implies the learning in a high dimensional feature space. So, it is an example of how the DTB algorithm performs in such feature space problems. In [1], it has been shown that hypotheses computed by the DTB model are more comprehensible that the ones computed by another ensemble methods. Hence, this paper tries to show that the DTB algorithm maintains the same comprehensibility of hypothesis in high dimensional feature space problems while achieving the performance of other ensemble methods. Four traditional evaluation measures (precision, recall, F1 and accuracy) have been considered for performance comparison between DTB and others models usually applied to spam email filtering. The size of the hypothesis computed by a DTB is smaller and more comprehensible than the hypothesis computed by Adaboost and Naïve Bayes.

From transistor to trapped-ion computers for quantum chemistry.

PubMed

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

2014-01-07

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

Monte Carlo method for computing density of states and quench probability of potential energy and enthalpy landscapes.

PubMed

Mauro, John C; Loucks, Roger J; Balakrishnan, Jitendra; Raghavan, Srikanth

2007-05-21

The thermodynamics and kinetics of a many-body system can be described in terms of a potential energy landscape in multidimensional configuration space. The partition function of such a landscape can be written in terms of a density of states, which can be computed using a variety of Monte Carlo techniques. In this paper, a new self-consistent Monte Carlo method for computing density of states is described that uses importance sampling and a multiplicative update factor to achieve rapid convergence. The technique is then applied to compute the equilibrium quench probability of the various inherent structures (minima) in the landscape. The quench probability depends on both the potential energy of the inherent structure and the volume of its corresponding basin in configuration space. Finally, the methodology is extended to the isothermal-isobaric ensemble in order to compute inherent structure quench probabilities in an enthalpy landscape.

gpuSPHASE-A shared memory caching implementation for 2D SPH using CUDA

NASA Astrophysics Data System (ADS)

Winkler, Daniel; Meister, Michael; Rezavand, Massoud; Rauch, Wolfgang

2017-04-01

Smoothed particle hydrodynamics (SPH) is a meshless Lagrangian method that has been successfully applied to computational fluid dynamics (CFD), solid mechanics and many other multi-physics problems. Using the method to solve transport phenomena in process engineering requires the simulation of several days to weeks of physical time. Based on the high computational demand of CFD such simulations in 3D need a computation time of years so that a reduction to a 2D domain is inevitable. In this paper gpuSPHASE, a new open-source 2D SPH solver implementation for graphics devices, is developed. It is optimized for simulations that must be executed with thousands of frames per second to be computed in reasonable time. A novel caching algorithm for Compute Unified Device Architecture (CUDA) shared memory is proposed and implemented. The software is validated and the performance is evaluated for the well established dambreak test case.

From transistor to trapped-ion computers for quantum chemistry

PubMed Central

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

2014-01-01

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

Experimental comparison between performance of the PM and LPM methods in computed radiography

NASA Astrophysics Data System (ADS)

Kermani, Aboutaleb; Feghhi, Seyed Amir Hossein; Rokrok, Behrouz

2018-07-01

The scatter downgrades the image quality and reduces its information efficiency in quantitative measurement usages when creating projections with ionizing radiation. Therefore, the variety of methods have been applied for scatter reduction and correction of the undesirable effects. As new approaches, the ordinary and localized primary modulation methods have already been used individually through experiments and simulations in medical and industrial computed tomography, respectively. The aim of this study is the evaluation of capabilities and limitations of these methods in comparison with each other. For this mean, the ordinary primary modulation has been implemented in computed radiography for the first time and the potential of both methods has been assessed in thickness measurement as well as scatter to primary signal ratio determination. The comparison results, based on the experimental outputs which obtained using aluminum specimens and continuous X-ray spectra, are to the benefit of the localized primary modulation method because of improved accuracy and higher performance especially at the edges.

Prediction-Correction Algorithms for Time-Varying Constrained Optimization

DOE PAGES

Simonetto, Andrea; Dall'Anese, Emiliano

2017-07-26

This article develops online algorithms to track solutions of time-varying constrained optimization problems. Particularly, resembling workhorse Kalman filtering-based approaches for dynamical systems, the proposed methods involve prediction-correction steps to provably track the trajectory of the optimal solutions of time-varying convex problems. The merits of existing prediction-correction methods have been shown for unconstrained problems and for setups where computing the inverse of the Hessian of the cost function is computationally affordable. This paper addresses the limitations of existing methods by tackling constrained problems and by designing first-order prediction steps that rely on the Hessian of the cost function (and do notmore » require the computation of its inverse). In addition, the proposed methods are shown to improve the convergence speed of existing prediction-correction methods when applied to unconstrained problems. Numerical simulations corroborate the analytical results and showcase performance and benefits of the proposed algorithms. A realistic application of the proposed method to real-time control of energy resources is presented.« less

A High-Order Immersed Boundary Method for Acoustic Wave Scattering and Low-Mach Number Flow-Induced Sound in Complex Geometries

PubMed Central

Seo, Jung Hee; Mittal, Rajat

2010-01-01

A new sharp-interface immersed boundary method based approach for the computation of low-Mach number flow-induced sound around complex geometries is described. The underlying approach is based on a hydrodynamic/acoustic splitting technique where the incompressible flow is first computed using a second-order accurate immersed boundary solver. This is followed by the computation of sound using the linearized perturbed compressible equations (LPCE). The primary contribution of the current work is the development of a versatile, high-order accurate immersed boundary method for solving the LPCE in complex domains. This new method applies the boundary condition on the immersed boundary to a high-order by combining the ghost-cell approach with a weighted least-squares error method based on a high-order approximating polynomial. The method is validated for canonical acoustic wave scattering and flow-induced noise problems. Applications of this technique to relatively complex cases of practical interest are also presented. PMID:21318129

Efficient path-based computations on pedigree graphs with compact encodings

PubMed Central

2012-01-01

A pedigree is a diagram of family relationships, and it is often used to determine the mode of inheritance (dominant, recessive, etc.) of genetic diseases. Along with rapidly growing knowledge of genetics and accumulation of genealogy information, pedigree data is becoming increasingly important. In large pedigree graphs, path-based methods for efficiently computing genealogical measurements, such as inbreeding and kinship coefficients of individuals, depend on efficient identification and processing of paths. In this paper, we propose a new compact path encoding scheme on large pedigrees, accompanied by an efficient algorithm for identifying paths. We demonstrate the utilization of our proposed method by applying it to the inbreeding coefficient computation. We present time and space complexity analysis, and also manifest the efficiency of our method for evaluating inbreeding coefficients as compared to previous methods by experimental results using pedigree graphs with real and synthetic data. Both theoretical and experimental results demonstrate that our method is more scalable and efficient than previous methods in terms of time and space requirements. PMID:22536898

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

Simonetto, Andrea; Dall'Anese, Emiliano

This article develops online algorithms to track solutions of time-varying constrained optimization problems. Particularly, resembling workhorse Kalman filtering-based approaches for dynamical systems, the proposed methods involve prediction-correction steps to provably track the trajectory of the optimal solutions of time-varying convex problems. The merits of existing prediction-correction methods have been shown for unconstrained problems and for setups where computing the inverse of the Hessian of the cost function is computationally affordable. This paper addresses the limitations of existing methods by tackling constrained problems and by designing first-order prediction steps that rely on the Hessian of the cost function (and do notmore » require the computation of its inverse). In addition, the proposed methods are shown to improve the convergence speed of existing prediction-correction methods when applied to unconstrained problems. Numerical simulations corroborate the analytical results and showcase performance and benefits of the proposed algorithms. A realistic application of the proposed method to real-time control of energy resources is presented.« less

3D Structure of Tillage Soils

NASA Astrophysics Data System (ADS)

González-Torre, Iván; Losada, Juan Carlos; Falconer, Ruth; Hapca, Simona; Tarquis, Ana M.

2015-04-01

Soil structure may be defined as the spatial arrangement of soil particles, aggregates and pores. The geometry of each one of these elements, as well as their spatial arrangement, has a great influence on the transport of fluids and solutes through the soil. Fractal/Multifractal methods have been increasingly applied to quantify soil structure thanks to the advances in computer technology (Tarquis et al., 2003). There is no doubt that computed tomography (CT) has provided an alternative for observing intact soil structure. These CT techniques reduce the physical impact to sampling, providing three-dimensional (3D) information and allowing rapid scanning to study sample dynamics in near real-time (Houston et al., 2013a). However, several authors have dedicated attention to the appropriate pore-solid CT threshold (Elliot and Heck, 2007; Houston et al., 2013b) and the better method to estimate the multifractal parameters (Grau et al., 2006; Tarquis et al., 2009). The aim of the present study is to evaluate the effect of the algorithm applied in the multifractal method (box counting and box gliding) and the cube size on the calculation of generalized fractal dimensions (Dq) in grey images without applying any threshold. To this end, soil samples were extracted from different areas plowed with three tools (moldboard, chissel and plow). Soil samples for each of the tillage treatment were packed into polypropylene cylinders of 8 cm diameter and 10 cm high. These were imaged using an mSIMCT at 155keV and 25 mA. An aluminium filter (0.25 mm) was applied to reduce beam hardening and later several corrections where applied during reconstruction. References Elliot, T.R. and Heck, R.J. 2007. A comparison of 2D and 3D thresholding of CT imagery. Can. J. Soil Sci., 87(4), 405-412. Grau, J, Médez, V.; Tarquis, A.M., Saa, A. and Díaz, M.C.. 2006. Comparison of gliding box and box-counting methods in soil image analysis. Geoderma, 134, 349-359. González-Torres, Iván. Theory and application of multifractal analysis methods in images for the study of soil structure. Master thesis, UPM, 2014. Houston, A.N.; S. Schmidt, A.M. Tarquis, W. Otten, P.C. Baveye, S.M. Hapca. Effect of scanning and image reconstruction settings in X-ray computed tomography on soil image quality and segmentation performance. Geoderma, 207-208, 154-165, 2013a. Houston, A, Otten, W., Baveye, Ph., Hapca, S. Adaptive-Window Indicator Kriging: A Thresholding Method for Computed Tomography, Computers & Geosciences, 54, 239-248, 2013b. Tarquis, A.M., R.J. Heck, D. Andina, A. Alvarez and J.M. Antón. Multifractal analysis and thresholding of 3D soil images. Ecological Complexity, 6, 230-239, 2009. Tarquis, A.M.; D. Giménez, A. Saa, M.C. Díaz. and J.M. Gascó. Scaling and Multiscaling of Soil Pore Systems Determined by Image Analysis. Scaling Methods in Soil Systems. Pachepsky, Radcliffe and Selim Eds., 19-33, 2003. CRC Press, Boca Ratón, Florida. Acknowledgements First author acknowledges the financial support obtained from Soil Imaging Laboratory (University of Gueplh, Canada) in 2014.

Second order Møller-Plesset and coupled cluster singles and doubles methods with complex basis functions for resonances in electron-molecule scattering

DOE PAGES

White, Alec F.; Epifanovsky, Evgeny; McCurdy, C. William; ...

2017-06-21

The method of complex basis functions is applied to molecular resonances at correlated levels of theory. Møller-Plesset perturbation theory at second order and equation-of-motion electron attachment coupled-cluster singles and doubles (EOM-EA-CCSD) methods based on a non-Hermitian self-consistent-field reference are used to compute accurate Siegert energies for shape resonances in small molecules including N 2 - , CO - , CO 2 - , and CH 2 O - . Analytic continuation of complex θ-trajectories is used to compute Siegert energies, and the θ-trajectories of energy differences are found to yield more consistent results than those of total energies.more » Furthermore, the ability of such methods to accurately compute complex potential energy surfaces is investigated, and the possibility of using EOM-EA-CCSD for Feshbach resonances is explored in the context of e-helium scattering.« less

Second order Møller-Plesset and coupled cluster singles and doubles methods with complex basis functions for resonances in electron-molecule scattering

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

White, Alec F.; Epifanovsky, Evgeny; McCurdy, C. William

The method of complex basis functions is applied to molecular resonances at correlated levels of theory. Møller-Plesset perturbation theory at second order and equation-of-motion electron attachment coupled-cluster singles and doubles (EOM-EA-CCSD) methods based on a non-Hermitian self-consistent-field reference are used to compute accurate Siegert energies for shape resonances in small molecules including N 2 - , CO - , CO 2 - , and CH 2 O - . Analytic continuation of complex θ-trajectories is used to compute Siegert energies, and the θ-trajectories of energy differences are found to yield more consistent results than those of total energies.more » Furthermore, the ability of such methods to accurately compute complex potential energy surfaces is investigated, and the possibility of using EOM-EA-CCSD for Feshbach resonances is explored in the context of e-helium scattering.« less

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

PubMed

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

2009-11-01

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

A Computer-Aided Distinction Method of Borderline Grades of Oral Cancer

NASA Astrophysics Data System (ADS)

Sami, Mustafa M.; Saito, Masahisa; Muramatsu, Shogo; Kikuchi, Hisakazu; Saku, Takashi

We have developed a new computer-aided diagnostic system for differentiating oral borderline malignancies in hematoxylin-eosin stained microscopic images. Epithelial dysplasia and carcinoma in-situ (CIS) of oral mucosa are two different borderline grades similar to each other, and it is difficult to distinguish between them. A new image processing and analysis method has been applied to a variety of histopathological features and shows the possibility for differentiating the oral cancer borderline grades automatically. The method is based on comparing the drop-shape similarity level in a particular manually selected pair of neighboring rete ridges. It was found that the considered similarity level in dysplasia was higher than those in epithelial CIS, of which pathological diagnoses were conventionally made by pathologists. The developed image processing method showed a good promise for the computer-aided pathological assessment of oral borderline malignancy differentiation in clinical practice.

Studying the Global Bifurcation Involving Wada Boundary Metamorphosis by a Method of Generalized Cell Mapping with Sampling-Adaptive Interpolation

NASA Astrophysics Data System (ADS)

Liu, Xiao-Ming; Jiang, Jun; Hong, Ling; Tang, Dafeng

In this paper, a new method of Generalized Cell Mapping with Sampling-Adaptive Interpolation (GCMSAI) is presented in order to enhance the efficiency of the computation of one-step probability transition matrix of the Generalized Cell Mapping method (GCM). Integrations with one mapping step are replaced by sampling-adaptive interpolations of third order. An explicit formula of interpolation error is derived for a sampling-adaptive control to switch on integrations for the accuracy of computations with GCMSAI. By applying the proposed method to a two-dimensional forced damped pendulum system, global bifurcations are investigated with observations of boundary metamorphoses including full to partial and partial to partial as well as the birth of fully Wada boundary. Moreover GCMSAI requires a computational time of one thirtieth up to one fiftieth compared to that of the previous GCM.

Flow in curved ducts of varying cross-section

NASA Astrophysics Data System (ADS)

Sotiropoulos, F.; Patel, V. C.

1992-07-01

Two numerical methods for solving the incompressible Navier-Stokes equations are compared with each other by applying them to calculate laminar and turbulent flows through curved ducts of regular cross-section. Detailed comparisons, between the computed solutions and experimental data, are carried out in order to validate the two methods and to identify their relative merits and disadvantages. Based on the conclusions of this comparative study a numerical method is developed for simulating viscous flows through curved ducts of varying cross-sections. The proposed method is capable of simulating the near-wall turbulence using fine computational meshes across the sublayer in conjunction with a two-layer k-epsilon model. Numerical solutions are obtained for: (1) a straight transition duct geometry, and (2) a hydroturbine draft-tube configuration at model scale Reynolds number for various inlet swirl intensities. The report also provides a detailed literature survey that summarizes all the experimental and computational work in the area of duct flows.

Computational methods to extract meaning from text and advance theories of human cognition.

PubMed

McNamara, Danielle S

2011-01-01

Over the past two decades, researchers have made great advances in the area of computational methods for extracting meaning from text. This research has to a large extent been spurred by the development of latent semantic analysis (LSA), a method for extracting and representing the meaning of words using statistical computations applied to large corpora of text. Since the advent of LSA, researchers have developed and tested alternative statistical methods designed to detect and analyze meaning in text corpora. This research exemplifies how statistical models of semantics play an important role in our understanding of cognition and contribute to the field of cognitive science. Importantly, these models afford large-scale representations of human knowledge and allow researchers to explore various questions regarding knowledge, discourse processing, text comprehension, and language. This topic includes the latest progress by the leading researchers in the endeavor to go beyond LSA. Copyright © 2010 Cognitive Science Society, Inc.

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

Slattery, Stuart R

ExaMPM is a mini-application for the Material Point Method (MPM) for studying the application of MPM to future exascale computing systems. MPM is a general method for computational mechanics and fluids and is used in a wide variety of science and engineering disciplines to study problems with large deformations, phase change, fracture, and other phenomena. ExaMPM provides a reference implementation of MPM as described in the 1994 work of Sulsky et.al. (Sulsky, Deborah, Zhen Chen, and Howard L. Schreyer. "A particle method for history-dependent materials." Computer methods in applied mechanics and engineering 118.1-2 (1994): 179-196.). The software can solve basicmore » MPM problems in solid mechanics using the original algorithm of Sulsky with explicit time integration, basic geometries, and free-slip and no-slip boundary conditions as described in the reference. ExaMPM is intended to be used as a starting point to design new parallel algorithms for the next generation of DOE supercomputers.« less

Efficiency analysis of numerical integrations for finite element substructure in real-time hybrid simulation

NASA Astrophysics Data System (ADS)

Wang, Jinting; Lu, Liqiao; Zhu, Fei

2018-01-01

Finite element (FE) is a powerful tool and has been applied by investigators to real-time hybrid simulations (RTHSs). This study focuses on the computational efficiency, including the computational time and accuracy, of numerical integrations in solving FE numerical substructure in RTHSs. First, sparse matrix storage schemes are adopted to decrease the computational time of FE numerical substructure. In this way, the task execution time (TET) decreases such that the scale of the numerical substructure model increases. Subsequently, several commonly used explicit numerical integration algorithms, including the central difference method (CDM), the Newmark explicit method, the Chang method and the Gui-λ method, are comprehensively compared to evaluate their computational time in solving FE numerical substructure. CDM is better than the other explicit integration algorithms when the damping matrix is diagonal, while the Gui-λ (λ = 4) method is advantageous when the damping matrix is non-diagonal. Finally, the effect of time delay on the computational accuracy of RTHSs is investigated by simulating structure-foundation systems. Simulation results show that the influences of time delay on the displacement response become obvious with the mass ratio increasing, and delay compensation methods may reduce the relative error of the displacement peak value to less than 5% even under the large time-step and large time delay.

The Event Detection and the Apparent Velocity Estimation Based on Computer Vision

NASA Astrophysics Data System (ADS)

Shimojo, M.

2012-08-01

The high spatial and time resolution data obtained by the telescopes aboard Hinode revealed the new interesting dynamics in solar atmosphere. In order to detect such events and estimate the velocity of dynamics automatically, we examined the estimation methods of the optical flow based on the OpenCV that is the computer vision library. We applied the methods to the prominence eruption observed by NoRH, and the polar X-ray jet observed by XRT. As a result, it is clear that the methods work well for solar images if the images are optimized for the methods. It indicates that the optical flow estimation methods in the OpenCV library are very useful to analyze the solar phenomena.

Non-Adiabatic Molecular Dynamics Methods for Materials Discovery

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

Furche, Filipp; Parker, Shane M.; Muuronen, Mikko J.

2017-04-04

The flow of radiative energy in light-driven materials such as photosensitizer dyes or photocatalysts is governed by non-adiabatic transitions between electronic states and cannot be described within the Born-Oppenheimer approximation commonly used in electronic structure theory. The non-adiabatic molecular dynamics (NAMD) methods based on Tully surface hopping and time-dependent density functional theory developed in this project have greatly extended the range of molecular materials that can be tackled by NAMD simulations. New algorithms to compute molecular excited state and response properties efficiently were developed. Fundamental limitations of common non-linear response methods were discovered and characterized. Methods for accurate computations ofmore » vibronic spectra of materials such as black absorbers were developed and applied. It was shown that open-shell TDDFT methods capture bond breaking in NAMD simulations, a longstanding challenge for single-reference molecular dynamics simulations. The methods developed in this project were applied to study the photodissociation of acetaldehyde and revealed that non-adiabatic effects are experimentally observable in fragment kinetic energy distributions. Finally, the project enabled the first detailed NAMD simulations of photocatalytic water oxidation by titania nanoclusters, uncovering the mechanism of this fundamentally important reaction for fuel generation and storage.« less

Complex network problems in physics, computer science and biology

NASA Astrophysics Data System (ADS)

Cojocaru, Radu Ionut

There is a close relation between physics and mathematics and the exchange of ideas between these two sciences are well established. However until few years ago there was no such a close relation between physics and computer science. Even more, only recently biologists started to use methods and tools from statistical physics in order to study the behavior of complex system. In this thesis we concentrate on applying and analyzing several methods borrowed from computer science to biology and also we use methods from statistical physics in solving hard problems from computer science. In recent years physicists have been interested in studying the behavior of complex networks. Physics is an experimental science in which theoretical predictions are compared to experiments. In this definition, the term prediction plays a very important role: although the system is complex, it is still possible to get predictions for its behavior, but these predictions are of a probabilistic nature. Spin glasses, lattice gases or the Potts model are a few examples of complex systems in physics. Spin glasses and many frustrated antiferromagnets map exactly to computer science problems in the NP-hard class defined in Chapter 1. In Chapter 1 we discuss a common result from artificial intelligence (AI) which shows that there are some problems which are NP-complete, with the implication that these problems are difficult to solve. We introduce a few well known hard problems from computer science (Satisfiability, Coloring, Vertex Cover together with Maximum Independent Set and Number Partitioning) and then discuss their mapping to problems from physics. In Chapter 2 we provide a short review of combinatorial optimization algorithms and their applications to ground state problems in disordered systems. We discuss the cavity method initially developed for studying the Sherrington-Kirkpatrick model of spin glasses. We extend this model to the study of a specific case of spin glass on the Bethe lattice at zero temperature and then we apply this formalism to the K-SAT problem defined in Chapter 1. The phase transition which physicists study often corresponds to a change in the computational complexity of the corresponding computer science problem. Chapter 3 presents phase transitions which are specific to the problems discussed in Chapter 1 and also known results for the K-SAT problem. We discuss the replica method and experimental evidences of replica symmetry breaking. The physics approach to hard problems is based on replica methods which are difficult to understand. In Chapter 4 we develop novel methods for studying hard problems using methods similar to the message passing techniques that were discussed in Chapter 2. Although we concentrated on the symmetric case, cavity methods show promise for generalizing our methods to the un-symmetric case. As has been highlighted by John Hopfield, several key features of biological systems are not shared by physical systems. Although living entities follow the laws of physics and chemistry, the fact that organisms adapt and reproduce introduces an essential ingredient that is missing in the physical sciences. In order to extract information from networks many algorithm have been developed. In Chapter 5 we apply polynomial algorithms like minimum spanning tree in order to study and construct gene regulatory networks from experimental data. As future work we propose the use of algorithms like min-cut/max-flow and Dijkstra for understanding key properties of these networks.

Coniferous canopy BRF simulation based on 3-D realistic scene.

PubMed

Wang, Xin-Yun; Guo, Zhi-Feng; Qin, Wen-Han; Sun, Guo-Qing

2011-09-01

It is difficulties for the computer simulation method to study radiation regime at large-scale. Simplified coniferous model was investigated in the present study. It makes the computer simulation methods such as L-systems and radiosity-graphics combined method (RGM) more powerful in remote sensing of heterogeneous coniferous forests over a large-scale region. L-systems is applied to render 3-D coniferous forest scenarios, and RGM model was used to calculate BRF (bidirectional reflectance factor) in visible and near-infrared regions. Results in this study show that in most cases both agreed well. Meanwhile at a tree and forest level, the results are also good.

Coniferous Canopy BRF Simulation Based on 3-D Realistic Scene

NASA Technical Reports Server (NTRS)

Wang, Xin-yun; Guo, Zhi-feng; Qin, Wen-han; Sun, Guo-qing

2011-01-01

It is difficulties for the computer simulation method to study radiation regime at large-scale. Simplified coniferous model was investigate d in the present study. It makes the computer simulation methods such as L-systems and radiosity-graphics combined method (RGM) more powerf ul in remote sensing of heterogeneous coniferous forests over a large -scale region. L-systems is applied to render 3-D coniferous forest scenarios: and RGM model was used to calculate BRF (bidirectional refle ctance factor) in visible and near-infrared regions. Results in this study show that in most cases both agreed well. Meanwhiie at a tree and forest level. the results are also good.

Optical near-field analysis of spherical metals: Application of the FDTD method combined with the ADE method.

PubMed

Yamaguchi, Takashi; Hinata, Takashi

2007-09-03

The time-average energy density of the optical near-field generated around a metallic sphere is computed using the finite-difference time-domain method. To check the accuracy, the numerical results are compared with the rigorous solutions by Mie theory. The Lorentz-Drude model, which is coupled with Maxwell's equation via motion equations of an electron, is applied to simulate the dispersion relation of metallic materials. The distributions of the optical near-filed generated around a metallic hemisphere and a metallic spheroid are also computed, and strong optical near-fields are obtained at the rim of them.

Application of Finite Element Method in Traffic Injury and Its Prospect in Forensic Science.

PubMed

Liu, C G; Lu, Y J; Gao, J; Liu, Q

2016-06-01

The finite element method （FEM） is a numerical computation method based on computer technology, and has been gradually applied in the fields of medicine and biomechanics. The finite element analysis can be used to explore the loading process and injury mechanism of human body in traffic injury. FEM is also helpful for the forensic investigation in traffic injury. This paper reviews the development of the finite element models and analysis of brain, cervical spine, chest and abdomen, pelvis, limbs at home and aboard in traffic injury in recent years. Copyright© by the Editorial Department of Journal of Forensic Medicine.

Computational fluid dynamics for propulsion technology: Geometric grid visualization in CFD-based propulsion technology research

NASA Technical Reports Server (NTRS)

Ziebarth, John P.; Meyer, Doug

1992-01-01

The coordination is examined of necessary resources, facilities, and special personnel to provide technical integration activities in the area of computational fluid dynamics applied to propulsion technology. Involved is the coordination of CFD activities between government, industry, and universities. Current geometry modeling, grid generation, and graphical methods are established to use in the analysis of CFD design methodologies.

Computer Attitude, and the Impact of Personal Characteristics and Information and Communication Technology Adoption Patterns on Performance of Teaching Faculty in Higher Education in Ghana, West Africa

ERIC Educational Resources Information Center

Larbi-Apau, Josephine A.

2011-01-01

This study examined computer attitude, and the impact of personal characteristics and ICT adoption patterns on performance of multidisciplinary teaching faculty in three public universities in Ghana. A cross-sectional research of mixed methods was applied in collecting data and information. Quantitative data from 164 respondents were analyzed…

An Evaluation into the Views of Candidate Mathematics Teachers over "Tablet Computers" to be Applied in Secondary Schools

ERIC Educational Resources Information Center

Aksu, Hasan Hüseyin

2014-01-01

This study aims to investigate, in terms of different variables, the views of prospective Mathematics teachers on tablet computers to be used in schools as an outcome of the Fatih Project, which was initiated by the Ministry of National Education. In the study, scanning model, one of the quantitative research methods, was used. In the population…

On the number of multiplications necessary to compute a length-2 exp n DFT

NASA Technical Reports Server (NTRS)

Heideman, M. T.; Burrus, C. S.

1986-01-01

The number of multiplications necessary and sufficient to compute a length-2 exp n DFT is determined. The method of derivation is shown to apply to the multiplicative complexity results of Winograd (1980, 1981) for a length-p exp n DFT, for p an odd prime number. The multiplicative complexity of the one-dimensional DFT is summarized for many possible lengths.

Computer analysis of potentiometric data of complexes formation in the solution

NASA Astrophysics Data System (ADS)

Jastrzab, Renata; Kaczmarek, Małgorzata T.; Tylkowski, Bartosz; Odani, Akira

2018-02-01

The determination of equilibrium constants is an important process for many branches of chemistry. In this review we provide the readers with a discussion on computer methods which have been applied for elaboration of potentiometric experimental data generated during complexes formation in solution. The review describes both: general basis of modeling tools and examples of the use of calculated stability constants.

A note on the self-similar solutions to the spontaneous fragmentation equation

NASA Astrophysics Data System (ADS)

Breschi, Giancarlo; Fontelos, Marco A.

2017-05-01

We provide a method to compute self-similar solutions for various fragmentation equations and use it to compute their asymptotic behaviours. Our procedure is applied to specific cases: (i) the case of mitosis, where fragmentation results into two identical fragments, (ii) fragmentation limited to the formation of sufficiently large fragments, and (iii) processes with fragmentation kernel presenting a power-like behaviour.

Finite element analysis of transonic flows in cascades: Importance of computational grids in improving accuracy and convergence

NASA Technical Reports Server (NTRS)

Ecer, A.; Akay, H. U.

1981-01-01

The finite element method is applied for the solution of transonic potential flows through a cascade of airfoils. Convergence characteristics of the solution scheme are discussed. Accuracy of the numerical solutions is investigated for various flow regions in the transonic flow configuration. The design of an efficient finite element computational grid is discussed for improving accuracy and convergence.

Computer-generated formulas for three-center nuclear-attraction integrals (electrostatic potential) for Slater-type orbitals

NASA Technical Reports Server (NTRS)

Jones, H. W.

1984-01-01

The computer-assisted C-matrix, Loewdin-alpha-function, single-center expansion method in spherical harmonics has been applied to the three-center nuclear-attraction integral (potential due to the product of separated Slater-type orbitals). Exact formulas are produced for 13 terms of an infinite series that permits evaluation to ten decimal digits of an example using 1s orbitals.

On the Use of Enveloping Distribution Sampling (EDS) to Compute Free Enthalpy Differences between Different Conformational States of Molecules: Application to 310-, α-, and π-Helices.

PubMed

Lin, Zhixiong; Liu, Haiyan; Riniker, Sereina; van Gunsteren, Wilfred F

2011-12-13

Enveloping distribution sampling (EDS) is a powerful method to compute relative free energies from simulation. So far, the EDS method has only been applied to alchemical free energy differences, i.e., between different Hamiltonians defining different systems, and not yet to obtain free energy differences between different conformations or conformational states of a system. In this article, we extend the EDS formalism such that it can be applied to compute free energy differences of different conformations and apply it to compute the relative free enthalpy ΔG of 310-, α-, and π-helices of an alanine deca-peptide in explicit water solvent. The resulting ΔG values are compared to those obtained by standard thermodynamic integration (TI) and from so-called end-state simulations. A TI simulation requires the definition of a λ-dependent pathway which in the present case is based on hydrogen bonds of the different helical conformations. The values of ⟨(∂VTI)/(∂λ)⟩λ show a sharp change for a particular range of λ values, which is indicative of an energy barrier along the pathway, which lowers the accuracy of the resulting ΔG value. In contrast, in a two-state EDS simulation, an unphysical reference-state Hamiltonian which connects the parts of conformational space that are relevant to the different end states is constructed automatically; that is, no pathway needs to be defined. In the simulation using this reference state, both helices were sampled, and many transitions between them occurred, thus ensuring the accuracy of the resulting free enthalpy difference. According to the EDS simulations, the free enthalpy differences of the π-helix and the 310-helix versus the α-helix are 5 kJ mol(-1) and 47 kJ mol(-1), respectively, for an alanine deca-peptide in explicit SPC water solvent using the GROMOS 53A6 force field. The EDS method, which is a particular form of umbrella sampling, is thus applicable to compute free energy differences between conformational states as well as between systems and has definite advantages over the traditional TI and umbrella sampling methods to compute relative free energies.

The transfer function method for gear system dynamics applied to conventional and minimum excitation gearing designs

NASA Technical Reports Server (NTRS)

Mark, W. D.

1982-01-01

A transfer function method for predicting the dynamic responses of gear systems with more than one gear mesh is developed and applied to the NASA Lewis four-square gear fatigue test apparatus. Methods for computing bearing-support force spectra and temporal histories of the total force transmitted by a gear mesh, the force transmitted by a single pair of teeth, and the maximum root stress in a single tooth are developed. Dynamic effects arising from other gear meshes in the system are included. A profile modification design method to minimize the vibration excitation arising from a pair of meshing gears is reviewed and extended. Families of tooth loading functions required for such designs are developed and examined for potential excitation of individual tooth vibrations. The profile modification design method is applied to a pair of test gears.

Non-invasive imaging methods applied to neo- and paleo-ontological cephalopod research

NASA Astrophysics Data System (ADS)

Hoffmann, R.; Schultz, J. A.; Schellhorn, R.; Rybacki, E.; Keupp, H.; Gerden, S. R.; Lemanis, R.; Zachow, S.

2014-05-01

Several non-invasive methods are common practice in natural sciences today. Here we present how they can be applied and contribute to current topics in cephalopod (paleo-) biology. Different methods will be compared in terms of time necessary to acquire the data, amount of data, accuracy/resolution, minimum/maximum size of objects that can be studied, the degree of post-processing needed and availability. The main application of the methods is seen in morphometry and volumetry of cephalopod shells. In particular we present a method for precise buoyancy calculation. Therefore, cephalopod shells were scanned together with different reference bodies, an approach developed in medical sciences. It is necessary to know the volume of the reference bodies, which should have similar absorption properties like the object of interest. Exact volumes can be obtained from surface scanning. Depending on the dimensions of the study object different computed tomography techniques were applied.

Iterated Gate Teleportation and Blind Quantum Computation.

PubMed

Pérez-Delgado, Carlos A; Fitzsimons, Joseph F

2015-06-05

Blind quantum computation allows a user to delegate a computation to an untrusted server while keeping the computation hidden. A number of recent works have sought to establish bounds on the communication requirements necessary to implement blind computation, and a bound based on the no-programming theorem of Nielsen and Chuang has emerged as a natural limiting factor. Here we show that this constraint only holds in limited scenarios, and show how to overcome it using a novel method of iterated gate teleportations. This technique enables drastic reductions in the communication required for distributed quantum protocols, extending beyond the blind computation setting. Applied to blind quantum computation, this technique offers significant efficiency improvements, and in some scenarios offers an exponential reduction in communication requirements.

On the combination of kinematics with flow visualization to compute total circulation - Application to vortex rings in a tube

NASA Technical Reports Server (NTRS)

Brasseur, J. G.; Chang, I.-D.

1980-01-01

To date the computation of the total circulation, or strength of a vortex has required detailed measurements of the velocity field within the vortex. In this paper a method is described in which the kinematics of the vortical flow field is exploited to calculate the strength of a vortex from relatively simple flow visualization measurements. There are several advantages in the technique, the most important being the newly acquired ability to calculate the transient changes in strength of a single vortex as it evolves. The method is applied to the study of vortex rings, although the development can be carried over directly to study vortex pairs, and it is expected that it can be generalized to other flows which contain regions of concentrated vorticity. The accuracy of the method as applied to vortex rings, assessed in part by comparing with the laser Doppler velocimeter (LDV) measurements of Sullivan et al., is shown to be excellent.

Using hybrid implicit Monte Carlo diffusion to simulate gray radiation hydrodynamics

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

Cleveland, Mathew A., E-mail: cleveland7@llnl.gov; Gentile, Nick

This work describes how to couple a hybrid Implicit Monte Carlo Diffusion (HIMCD) method with a Lagrangian hydrodynamics code to evaluate the coupled radiation hydrodynamics equations. This HIMCD method dynamically applies Implicit Monte Carlo Diffusion (IMD) [1] to regions of a problem that are opaque and diffusive while applying standard Implicit Monte Carlo (IMC) [2] to regions where the diffusion approximation is invalid. We show that this method significantly improves the computational efficiency as compared to a standard IMC/Hydrodynamics solver, when optically thick diffusive material is present, while maintaining accuracy. Two test cases are used to demonstrate the accuracy andmore » performance of HIMCD as compared to IMC and IMD. The first is the Lowrie semi-analytic diffusive shock [3]. The second is a simple test case where the source radiation streams through optically thin material and heats a thick diffusive region of material causing it to rapidly expand. We found that HIMCD proves to be accurate, robust, and computationally efficient for these test problems.« less

KINETIC-J: A computational kernel for solving the linearized Vlasov equation applied to calculations of the kinetic, configuration space plasma current for time harmonic wave electric fields

NASA Astrophysics Data System (ADS)

Green, David L.; Berry, Lee A.; Simpson, Adam B.; Younkin, Timothy R.

2018-04-01

We present the KINETIC-J code, a computational kernel for evaluating the linearized Vlasov equation with application to calculating the kinetic plasma response (current) to an applied time harmonic wave electric field. This code addresses the need for a configuration space evaluation of the plasma current to enable kinetic full-wave solvers for waves in hot plasmas to move beyond the limitations of the traditional Fourier spectral methods. We benchmark the kernel via comparison with the standard k →-space forms of the hot plasma conductivity tensor.

Earth Science Informatics - Overview

NASA Technical Reports Server (NTRS)

Ramapriyan, H. K.

2015-01-01

Over the last 10-15 years, significant advances have been made in information management, there are an increasing number of individuals entering the field of information management as it applies to Geoscience and Remote Sensing data, and the field of informatics has come to its own. Informatics is the science and technology of applying computers and computational methods to the systematic analysis, management, interchange, and representation of science data, information, and knowledge. Informatics also includes the use of computers and computational methods to support decision making and applications. Earth Science Informatics (ESI, a.k.a. geoinformatics) is the application of informatics in the Earth science domain. ESI is a rapidly developing discipline integrating computer science, information science, and Earth science. Major national and international research and infrastructure projects in ESI have been carried out or are on-going. Notable among these are: the Global Earth Observation System of Systems (GEOSS), the European Commissions INSPIRE, the U.S. NSDI and Geospatial One-Stop, the NASA EOSDIS, and the NSF DataONE, EarthCube and Cyberinfrastructure for Geoinformatics. More than 18 departments and agencies in the U.S. federal government have been active in Earth science informatics. All major space agencies in the world, have been involved in ESI research and application activities. In the United States, the Federation of Earth Science Information Partners (ESIP), whose membership includes nearly 150 organizations (government, academic and commercial) dedicated to managing, delivering and applying Earth science data, has been working on many ESI topics since 1998. The Committee on Earth Observation Satellites (CEOS)s Working Group on Information Systems and Services (WGISS) has been actively coordinating the ESI activities among the space agencies. Remote Sensing; Earth Science Informatics, Data Systems; Data Services; Metadata

Earth Science Informatics - Overview

NASA Technical Reports Server (NTRS)

Ramapriyan, H. K.

2017-01-01

Over the last 10-15 years, significant advances have been made in information management, there are an increasing number of individuals entering the field of information management as it applies to Geoscience and Remote Sensing data, and the field of informatics has come to its own. Informatics is the science and technology of applying computers and computational methods to the systematic analysis, management, interchange, and representation of science data, information, and knowledge. Informatics also includes the use of computers and computational methods to support decision making and applications. Earth Science Informatics (ESI, a.k.a. geoinformatics) is the application of informatics in the Earth science domain. ESI is a rapidly developing discipline integrating computer science, information science, and Earth science. Major national and international research and infrastructure projects in ESI have been carried out or are on-going. Notable among these are: the Global Earth Observation System of Systems (GEOSS), the European Commissions INSPIRE, the U.S. NSDI and Geospatial One-Stop, the NASA EOSDIS, and the NSF DataONE, EarthCube and Cyberinfrastructure for Geoinformatics. More than 18 departments and agencies in the U.S. federal government have been active in Earth science informatics. All major space agencies in the world, have been involved in ESI research and application activities. In the United States, the Federation of Earth Science Information Partners (ESIP), whose membership includes over 180 organizations (government, academic and commercial) dedicated to managing, delivering and applying Earth science data, has been working on many ESI topics since 1998. The Committee on Earth Observation Satellites (CEOS)s Working Group on Information Systems and Services (WGISS) has been actively coordinating the ESI activities among the space agencies.

Earth Science Informatics - Overview

NASA Technical Reports Server (NTRS)

Ramapriyan, H. K.

2017-01-01

Over the last 10-15 years, significant advances have been made in information management, there are an increasing number of individuals entering the field of information management as it applies to Geoscience and Remote Sensing data, and the field of informatics has come to its own. Informatics is the science and technology of applying computers and computational methods to the systematic analysis, management, interchange, and representation of science data, information, and knowledge. Informatics also includes the use of computers and computational methods to support decision making and applications. Earth Science Informatics (ESI, a.k.a. geoinformatics) is the application of informatics in the Earth science domain. ESI is a rapidly developing discipline integrating computer science, information science, and Earth science. Major national and international research and infrastructure projects in ESI have been carried out or are on-going. Notable among these are: the Global Earth Observation System of Systems (GEOSS), the European Commissions INSPIRE, the U.S. NSDI and Geospatial One-Stop, the NASA EOSDIS, and the NSF DataONE, EarthCube and Cyberinfrastructure for Geoinformatics. More than 18 departments and agencies in the U.S. federal government have been active in Earth science informatics. All major space agencies in the world, have been involved in ESI research and application activities. In the United States, the Federation of Earth Science Information Partners (ESIP), whose membership includes over 180 organizations (government, academic and commercial) dedicated to managing, delivering and applying Earth science data, has been working on many ESI topics since 1998. The Committee on Earth Observation Satellites (CEOS)s Working Group on Information Systems and Services (WGISS) has been actively coordinating the ESI activities among the space agencies.The talk will present an overview of current efforts in ESI, the role members of IEEE GRSS play, and discuss recent developments in data preservation and provenance.

GPU accelerated study of heat transfer and fluid flow by lattice Boltzmann method on CUDA

NASA Astrophysics Data System (ADS)

Ren, Qinlong

Lattice Boltzmann method (LBM) has been developed as a powerful numerical approach to simulate the complex fluid flow and heat transfer phenomena during the past two decades. As a mesoscale method based on the kinetic theory, LBM has several advantages compared with traditional numerical methods such as physical representation of microscopic interactions, dealing with complex geometries and highly parallel nature. Lattice Boltzmann method has been applied to solve various fluid behaviors and heat transfer process like conjugate heat transfer, magnetic and electric field, diffusion and mixing process, chemical reactions, multiphase flow, phase change process, non-isothermal flow in porous medium, microfluidics, fluid-structure interactions in biological system and so on. In addition, as a non-body-conformal grid method, the immersed boundary method (IBM) could be applied to handle the complex or moving geometries in the domain. The immersed boundary method could be coupled with lattice Boltzmann method to study the heat transfer and fluid flow problems. Heat transfer and fluid flow are solved on Euler nodes by LBM while the complex solid geometries are captured by Lagrangian nodes using immersed boundary method. Parallel computing has been a popular topic for many decades to accelerate the computational speed in engineering and scientific fields. Today, almost all the laptop and desktop have central processing units (CPUs) with multiple cores which could be used for parallel computing. However, the cost of CPUs with hundreds of cores is still high which limits its capability of high performance computing on personal computer. Graphic processing units (GPU) is originally used for the computer video cards have been emerged as the most powerful high-performance workstation in recent years. Unlike the CPUs, the cost of GPU with thousands of cores is cheap. For example, the GPU (GeForce GTX TITAN) which is used in the current work has 2688 cores and the price is only 1,000 US dollars. The release of NVIDIA's CUDA architecture which includes both hardware and programming environment in 2007 makes GPU computing attractive. Due to its highly parallel nature, lattice Boltzmann method is successfully ported into GPU with a performance benefit during the recent years. In the current work, LBM CUDA code is developed for different fluid flow and heat transfer problems. In this dissertation, lattice Boltzmann method and immersed boundary method are used to study natural convection in an enclosure with an array of conduting obstacles, double-diffusive convection in a vertical cavity with Soret and Dufour effects, PCM melting process in a latent heat thermal energy storage system with internal fins, mixed convection in a lid-driven cavity with a sinusoidal cylinder, and AC electrothermal pumping in microfluidic systems on a CUDA computational platform. It is demonstrated that LBM is an efficient method to simulate complex heat transfer problems using GPU on CUDA.

History and Legacy

ERIC Educational Resources Information Center

Mason, Diana S.

2004-01-01

The history of the computer usage in high school laboratories is discussed. Students learned scientific methods by acknowledging measurement errors, using significant digits, questioning their own results, and without doubts, they benefited from applying skill learned in mathematics classes.

THC-MP: High performance numerical simulation of reactive transport and multiphase flow in porous media

NASA Astrophysics Data System (ADS)

Wei, Xiaohui; Li, Weishan; Tian, Hailong; Li, Hongliang; Xu, Haixiao; Xu, Tianfu

2015-07-01

The numerical simulation of multiphase flow and reactive transport in the porous media on complex subsurface problem is a computationally intensive application. To meet the increasingly computational requirements, this paper presents a parallel computing method and architecture. Derived from TOUGHREACT that is a well-established code for simulating subsurface multi-phase flow and reactive transport problems, we developed a high performance computing THC-MP based on massive parallel computer, which extends greatly on the computational capability for the original code. The domain decomposition method was applied to the coupled numerical computing procedure in the THC-MP. We designed the distributed data structure, implemented the data initialization and exchange between the computing nodes and the core solving module using the hybrid parallel iterative and direct solver. Numerical accuracy of the THC-MP was verified through a CO2 injection-induced reactive transport problem by comparing the results obtained from the parallel computing and sequential computing (original code). Execution efficiency and code scalability were examined through field scale carbon sequestration applications on the multicore cluster. The results demonstrate successfully the enhanced performance using the THC-MP on parallel computing facilities.

Reliable Viscosity Calculation from Equilibrium Molecular Dynamics Simulations: A Time Decomposition Method.

PubMed

Zhang, Yong; Otani, Akihito; Maginn, Edward J

2015-08-11

Equilibrium molecular dynamics is often used in conjunction with a Green-Kubo integral of the pressure tensor autocorrelation function to compute the shear viscosity of fluids. This approach is computationally expensive and is subject to a large amount of variability because the plateau region of the Green-Kubo integral is difficult to identify unambiguously. Here, we propose a time decomposition approach for computing the shear viscosity using the Green-Kubo formalism. Instead of one long trajectory, multiple independent trajectories are run and the Green-Kubo relation is applied to each trajectory. The averaged running integral as a function of time is fit to a double-exponential function with a weighting function derived from the standard deviation of the running integrals. Such a weighting function minimizes the uncertainty of the estimated shear viscosity and provides an objective means of estimating the viscosity. While the formal Green-Kubo integral requires an integration to infinite time, we suggest an integration cutoff time tcut, which can be determined by the relative values of the running integral and the corresponding standard deviation. This approach for computing the shear viscosity can be easily automated and used in computational screening studies where human judgment and intervention in the data analysis are impractical. The method has been applied to the calculation of the shear viscosity of a relatively low-viscosity liquid, ethanol, and relatively high-viscosity ionic liquid, 1-n-butyl-3-methylimidazolium bis(trifluoromethane-sulfonyl)imide ([BMIM][Tf2N]), over a range of temperatures. These test cases show that the method is robust and yields reproducible and reliable shear viscosity values.

Applying Learning Diagnosis Diagram in Computer Aided Instructions: Research, Practice and Evaluation

ERIC Educational Resources Information Center

Wu, YuLung

2010-01-01

In Taiwan, when students learn in experiment-related courses, they are often grouped into several teams. The familiar method of grouping learning is "Cooperative Learning". A well-organized grouping strategy improves cooperative learning and increases the number of activities. This study proposes a novel pedagogical method by adopting…

Evaluating Equating Results: Percent Relative Error for Chained Kernel Equating

ERIC Educational Resources Information Center

Jiang, Yanlin; von Davier, Alina A.; Chen, Haiwen

2012-01-01

This article presents a method for evaluating equating results. Within the kernel equating framework, the percent relative error (PRE) for chained equipercentile equating was computed under the nonequivalent groups with anchor test (NEAT) design. The method was applied to two data sets to obtain the PRE, which can be used to measure equating…

Mental models, metaphors and their use in the education of nurses.

PubMed

Burke, L M; Wilson, A M

1997-11-01

A great deal of nurses' confidence in the use of information technology (IT) depends both on the way computers are introduced to students in the college and how such education is continued and applied when they are practitioners. It is therefore vital that teachers of IT assist nurses to discover ways of learning to utilize and apply computers within their workplace with whatever methods are available. One method which has been introduced with success in other fields is the use of mental models and metaphors. Mental models and metaphors enable individuals to learn by building on past learning. Concepts and ideas which have already been internalized from past experience can be transferred and adapted for usage in a new learning situation with computers and technology. This article explores the use of mental models and metaphors for the technological education of nurses. The concepts themselves will be examined, followed by suggestions for possible applications specifically in the field of nursing and health care. Finally the role of the teacher in enabling improved learning as a result of these techniques will be addressed.

Taking error into account when fitting models using Approximate Bayesian Computation.

PubMed

van der Vaart, Elske; Prangle, Dennis; Sibly, Richard M

2018-03-01

Stochastic computer simulations are often the only practical way of answering questions relating to ecological management. However, due to their complexity, such models are difficult to calibrate and evaluate. Approximate Bayesian Computation (ABC) offers an increasingly popular approach to this problem, widely applied across a variety of fields. However, ensuring the accuracy of ABC's estimates has been difficult. Here, we obtain more accurate estimates by incorporating estimation of error into the ABC protocol. We show how this can be done where the data consist of repeated measures of the same quantity and errors may be assumed to be normally distributed and independent. We then derive the correct acceptance probabilities for a probabilistic ABC algorithm, and update the coverage test with which accuracy is assessed. We apply this method, which we call error-calibrated ABC, to a toy example and a realistic 14-parameter simulation model of earthworms that is used in environmental risk assessment. A comparison with exact methods and the diagnostic coverage test show that our approach improves estimation of parameter values and their credible intervals for both models. © 2017 by the Ecological Society of America.

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 transonic compressor under circumferential inlet distortion and rotor/stator interference using harmonic balance method

NASA Astrophysics Data System (ADS)

Wang, Ziwei; Jiang, Xiong; Chen, Ti; Hao, Yan; Qiu, Min

2018-05-01

Simulating the unsteady flow of compressor under circumferential inlet distortion and rotor/stator interference would need full-annulus grid with a dual time method. This process is time consuming and needs a large amount of computational resources. Harmonic balance method simulates the unsteady flow in compressor on single passage grid with a series of steady simulations. This will largely increase the computational efficiency in comparison with the dual time method. However, most simulations with harmonic balance method are conducted on the flow under either circumferential inlet distortion or rotor/stator interference. Based on an in-house CFD code, the harmonic balance method is applied in the simulation of flow in the NASA Stage 35 under both circumferential inlet distortion and rotor/stator interference. As the unsteady flow is influenced by two different unsteady disturbances, it leads to the computational instability. The instability can be avoided by coupling the harmonic balance method with an optimizing algorithm. The computational result of harmonic balance method is compared with the result of full-annulus simulation. It denotes that, the harmonic balance method simulates the flow under circumferential inlet distortion and rotor/stator interference as precise as the full-annulus simulation with a speed-up of about 8 times.

Method-independent, Computationally Frugal Convergence Testing for Sensitivity Analysis Techniques

NASA Astrophysics Data System (ADS)

Mai, J.; Tolson, B.

2017-12-01

The increasing complexity and runtime of environmental models lead to the current situation that the calibration of all model parameters or the estimation of all of their uncertainty is often computationally infeasible. Hence, techniques to determine the sensitivity of model parameters are used to identify most important parameters. All subsequent model calibrations or uncertainty estimation procedures focus then only on these subsets of parameters and are hence less computational demanding. While the examination of the convergence of calibration and uncertainty methods is state-of-the-art, the convergence of the sensitivity methods is usually not checked. If any, bootstrapping of the sensitivity results is used to determine the reliability of the estimated indexes. Bootstrapping, however, might as well become computationally expensive in case of large model outputs and a high number of bootstraps. We, therefore, present a Model Variable Augmentation (MVA) approach to check the convergence of sensitivity indexes without performing any additional model run. This technique is method- and model-independent. It can be applied either during the sensitivity analysis (SA) or afterwards. The latter case enables the checking of already processed sensitivity indexes. To demonstrate the method's independency of the convergence testing method, we applied it to two widely used, global SA methods: the screening method known as Morris method or Elementary Effects (Morris 1991) and the variance-based Sobol' method (Solbol' 1993). The new convergence testing method is first scrutinized using 12 analytical benchmark functions (Cuntz & Mai et al. 2015) where the true indexes of aforementioned three methods are known. This proof of principle shows that the method reliably determines the uncertainty of the SA results when different budgets are used for the SA. The results show that the new frugal method is able to test the convergence and therefore the reliability of SA results in an efficient way. The appealing feature of this new technique is the necessity of no further model evaluation and therefore enables checking of already processed sensitivity results. This is one step towards reliable and transferable, published sensitivity results.

Computation of turbulent boundary layers employing the defect wall-function method. M.S. Thesis

NASA Technical Reports Server (NTRS)

Brown, Douglas L.

1994-01-01

In order to decrease overall computational time requirements of spatially-marching parabolized Navier-Stokes finite-difference computer code when applied to turbulent fluid flow, a wall-function methodology, originally proposed by R. Barnwell, was implemented. This numerical effort increases computational speed and calculates reasonably accurate wall shear stress spatial distributions and boundary-layer profiles. Since the wall shear stress is analytically determined from the wall-function model, the computational grid near the wall is not required to spatially resolve the laminar-viscous sublayer. Consequently, a substantially increased computational integration step size is achieved resulting in a considerable decrease in net computational time. This wall-function technique is demonstrated for adiabatic flat plate test cases from Mach 2 to Mach 8. These test cases are analytically verified employing: (1) Eckert reference method solutions, (2) experimental turbulent boundary-layer data of Mabey, and (3) finite-difference computational code solutions with fully resolved laminar-viscous sublayers. Additionally, results have been obtained for two pressure-gradient cases: (1) an adiabatic expansion corner and (2) an adiabatic compression corner.

Applied Distributed Model Predictive Control for Energy Efficient Buildings and Ramp Metering

NASA Astrophysics Data System (ADS)

Koehler, Sarah Muraoka

Industrial large-scale control problems present an interesting algorithmic design challenge. A number of controllers must cooperate in real-time on a network of embedded hardware with limited computing power in order to maximize system efficiency while respecting constraints and despite communication delays. Model predictive control (MPC) can automatically synthesize a centralized controller which optimizes an objective function subject to a system model, constraints, and predictions of disturbance. Unfortunately, the computations required by model predictive controllers for large-scale systems often limit its industrial implementation only to medium-scale slow processes. Distributed model predictive control (DMPC) enters the picture as a way to decentralize a large-scale model predictive control problem. The main idea of DMPC is to split the computations required by the MPC problem amongst distributed processors that can compute in parallel and communicate iteratively to find a solution. Some popularly proposed solutions are distributed optimization algorithms such as dual decomposition and the alternating direction method of multipliers (ADMM). However, these algorithms ignore two practical challenges: substantial communication delays present in control systems and also problem non-convexity. This thesis presents two novel and practically effective DMPC algorithms. The first DMPC algorithm is based on a primal-dual active-set method which achieves fast convergence, making it suitable for large-scale control applications which have a large communication delay across its communication network. In particular, this algorithm is suited for MPC problems with a quadratic cost, linear dynamics, forecasted demand, and box constraints. We measure the performance of this algorithm and show that it significantly outperforms both dual decomposition and ADMM in the presence of communication delay. The second DMPC algorithm is based on an inexact interior point method which is suited for nonlinear optimization problems. The parallel computation of the algorithm exploits iterative linear algebra methods for the main linear algebra computations in the algorithm. We show that the splitting of the algorithm is flexible and can thus be applied to various distributed platform configurations. The two proposed algorithms are applied to two main energy and transportation control problems. The first application is energy efficient building control. Buildings represent 40% of energy consumption in the United States. Thus, it is significant to improve the energy efficiency of buildings. The goal is to minimize energy consumption subject to the physics of the building (e.g. heat transfer laws), the constraints of the actuators as well as the desired operating constraints (thermal comfort of the occupants), and heat load on the system. In this thesis, we describe the control systems of forced air building systems in practice. We discuss the "Trim and Respond" algorithm which is a distributed control algorithm that is used in practice, and show that it performs similarly to a one-step explicit DMPC algorithm. Then, we apply the novel distributed primal-dual active-set method and provide extensive numerical results for the building MPC problem. The second main application is the control of ramp metering signals to optimize traffic flow through a freeway system. This application is particularly important since urban congestion has more than doubled in the past few decades. The ramp metering problem is to maximize freeway throughput subject to freeway dynamics (derived from mass conservation), actuation constraints, freeway capacity constraints, and predicted traffic demand. In this thesis, we develop a hybrid model predictive controller for ramp metering that is guaranteed to be persistently feasible and stable. This contrasts to previous work on MPC for ramp metering where such guarantees are absent. We apply a smoothing method to the hybrid model predictive controller and apply the inexact interior point method to this nonlinear non-convex ramp metering problem.

An Advanced Actuator Line Method for Wind Energy Applications and Beyond

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

Churchfield, Matthew J.; Schreck, Scott; Martinez-Tossas, Luis A.

The actuator line method to represent rotor aerodynamics within computational fluid dynamics has been in use for over a decade. This method applies a body force to the flow field along rotating lines corresponding to the individual rotor blades and employs tabular airfoil data to compute the force distribution. The actuator line method is attractive because compared to blade-resolved simulations, the required mesh is much simpler and the computational cost is lower. This work proposes a higher fidelity variant of the actuator line method meant to fill the space between current actuator line and blade-resolved simulations. It contains modifications inmore » two key areas. The first is that of freestream velocity vector estimation along the line, which is necessary to compute the lift and drag along the line using tabular airfoil data. Most current methods rely on point sampling in which the location of sampling is ambiguous. Here we test a velocity sampling method that uses a properly weighted integral over space, removing this ambiguity. The second area of improvement is the function used to project the one-dimensional actuator line force onto the three-dimensional fluid mesh as a body force. We propose and test a projection function that spreads the force over a region that looks something like a real blade with the hope that it will produce the blade local and near wake flow features with more accuracy and higher fidelity. Our goal is that between these two improvements, not only will the flow field predictions be enhanced, but also the spanwise loading will be made more accurate. We refer to this combination of improvements as the advanced actuator line method. We apply these improvements to two different wind turbine cases. Although there is a strong wind energy motivation in our work, there is no reason these advanced actuator line ideas cannot be used in other applications, such as helicopter rotors.« less

An Advanced Actuator Line Method for Wind Energy Applications and Beyond: Preprint

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

Churchfield, Matthew; Schreck, Scott; Martinez-Tossas, Luis A.

The actuator line method to represent rotor aerodynamics within computational fluid dynamics has been in use for over a decade. This method applies a body force to the flow field along rotating lines corresponding to the individual rotor blades and employs tabular airfoil data to compute the force distribution. The actuator line method is attractive because compared to blade-resolved simulations, the required mesh is much simpler and the computational cost is lower. This work proposes a higher fidelity variant of the actuator line method meant to fill the space between current actuator line and blade-resolved simulations. It contains modifications inmore » two key areas. The first is that of freestream velocity vector estimation along the line, which is necessary to compute the lift and drag along the line using tabular airfoil data. Most current methods rely on point sampling in which the location of sampling is ambiguous. Here we test a velocity sampling method that uses a properly weighted integral over space, removing this ambiguity. The second area of improvement is the function used to project the one-dimensional actuator line force onto the three-dimensional fluid mesh as a body force. We propose and test a projection function that spreads the force over a region that looks something like a real blade with the hope that it will produce the blade local and near wake flow features with more accuracy and higher fidelity. Our goal is that between these two improvements, not only will the flow field predictions be enhanced, but also the spanwise loading will be made more accurate. We refer to this combination of improvements as the advanced actuator line method. We apply these improvements to two different wind turbine cases. Although there is a strong wind energy motivation in our work, there is no reason these advanced actuator line ideas cannot be used in other applications, such as helicopter rotors.« less

A fast point-cloud computing method based on spatial symmetry of Fresnel field

NASA Astrophysics Data System (ADS)

Wang, Xiangxiang; Zhang, Kai; Shen, Chuan; Zhu, Wenliang; Wei, Sui

2017-10-01

Aiming at the great challenge for Computer Generated Hologram (CGH) duo to the production of high spatial-bandwidth product (SBP) is required in the real-time holographic video display systems. The paper is based on point-cloud method and it takes advantage of the propagating reversibility of Fresnel diffraction in the propagating direction and the fringe pattern of a point source, known as Gabor zone plate has spatial symmetry, so it can be used as a basis for fast calculation of diffraction field in CGH. A fast Fresnel CGH method based on the novel look-up table (N-LUT) method is proposed, the principle fringe patterns (PFPs) at the virtual plane is pre-calculated by the acceleration algorithm and be stored. Secondly, the Fresnel diffraction fringe pattern at dummy plane can be obtained. Finally, the Fresnel propagation from dummy plan to hologram plane. The simulation experiments and optical experiments based on Liquid Crystal On Silicon (LCOS) is setup to demonstrate the validity of the proposed method under the premise of ensuring the quality of 3D reconstruction the method proposed in the paper can be applied to shorten the computational time and improve computational efficiency.

Extension of the ADjoint Approach to a Laminar Navier-Stokes Solver

NASA Astrophysics Data System (ADS)

Paige, Cody

The use of adjoint methods is common in computational fluid dynamics to reduce the cost of the sensitivity analysis in an optimization cycle. The forward mode ADjoint is a combination of an adjoint sensitivity analysis method with a forward mode automatic differentiation (AD) and is a modification of the reverse mode ADjoint method proposed by Mader et al.[1]. A colouring acceleration technique is presented to reduce the computational cost increase associated with forward mode AD. The forward mode AD facilitates the implementation of the laminar Navier-Stokes (NS) equations. The forward mode ADjoint method is applied to a three-dimensional computational fluid dynamics solver. The resulting Euler and viscous ADjoint sensitivities are compared to the reverse mode Euler ADjoint derivatives and a complex-step method to demonstrate the reduced computational cost and accuracy. Both comparisons demonstrate the benefits of the colouring method and the practicality of using a forward mode AD. [1] Mader, C.A., Martins, J.R.R.A., Alonso, J.J., and van der Weide, E. (2008) ADjoint: An approach for the rapid development of discrete adjoint solvers. AIAA Journal, 46(4):863-873. doi:10.2514/1.29123.

The application of artificial intelligence in the optimal design of mechanical systems

NASA Astrophysics Data System (ADS)

Poteralski, A.; Szczepanik, M.

2016-11-01

The paper is devoted to new computational techniques in mechanical optimization where one tries to study, model, analyze and optimize very complex phenomena, for which more precise scientific tools of the past were incapable of giving low cost and complete solution. Soft computing methods differ from conventional (hard) computing in that, unlike hard computing, they are tolerant of imprecision, uncertainty, partial truth and approximation. The paper deals with an application of the bio-inspired methods, like the evolutionary algorithms (EA), the artificial immune systems (AIS) and the particle swarm optimizers (PSO) to optimization problems. Structures considered in this work are analyzed by the finite element method (FEM), the boundary element method (BEM) and by the method of fundamental solutions (MFS). The bio-inspired methods are applied to optimize shape, topology and material properties of 2D, 3D and coupled 2D/3D structures, to optimize the termomechanical structures, to optimize parameters of composites structures modeled by the FEM, to optimize the elastic vibrating systems to identify the material constants for piezoelectric materials modeled by the BEM and to identify parameters in acoustics problem modeled by the MFS.

Automated Stitching of Microtubule Centerlines across Serial Electron Tomograms

PubMed Central

Weber, Britta; Tranfield, Erin M.; Höög, Johanna L.; Baum, Daniel; Antony, Claude; Hyman, Tony; Verbavatz, Jean-Marc; Prohaska, Steffen

2014-01-01

Tracing microtubule centerlines in serial section electron tomography requires microtubules to be stitched across sections, that is lines from different sections need to be aligned, endpoints need to be matched at section boundaries to establish a correspondence between neighboring sections, and corresponding lines need to be connected across multiple sections. We present computational methods for these tasks: 1) An initial alignment is computed using a distance compatibility graph. 2) A fine alignment is then computed with a probabilistic variant of the iterative closest points algorithm, which we extended to handle the orientation of lines by introducing a periodic random variable to the probabilistic formulation. 3) Endpoint correspondence is established by formulating a matching problem in terms of a Markov random field and computing the best matching with belief propagation. Belief propagation is not generally guaranteed to converge to a minimum. We show how convergence can be achieved, nonetheless, with minimal manual input. In addition to stitching microtubule centerlines, the correspondence is also applied to transform and merge the electron tomograms. We applied the proposed methods to samples from the mitotic spindle in C. elegans, the meiotic spindle in X. laevis, and sub-pellicular microtubule arrays in T. brucei. The methods were able to stitch microtubules across section boundaries in good agreement with experts' opinions for the spindle samples. Results, however, were not satisfactory for the microtubule arrays. For certain experiments, such as an analysis of the spindle, the proposed methods can replace manual expert tracing and thus enable the analysis of microtubules over long distances with reasonable manual effort. PMID:25438148

Automated stitching of microtubule centerlines across serial electron tomograms.

PubMed

Weber, Britta; Tranfield, Erin M; Höög, Johanna L; Baum, Daniel; Antony, Claude; Hyman, Tony; Verbavatz, Jean-Marc; Prohaska, Steffen

2014-01-01

Tracing microtubule centerlines in serial section electron tomography requires microtubules to be stitched across sections, that is lines from different sections need to be aligned, endpoints need to be matched at section boundaries to establish a correspondence between neighboring sections, and corresponding lines need to be connected across multiple sections. We present computational methods for these tasks: 1) An initial alignment is computed using a distance compatibility graph. 2) A fine alignment is then computed with a probabilistic variant of the iterative closest points algorithm, which we extended to handle the orientation of lines by introducing a periodic random variable to the probabilistic formulation. 3) Endpoint correspondence is established by formulating a matching problem in terms of a Markov random field and computing the best matching with belief propagation. Belief propagation is not generally guaranteed to converge to a minimum. We show how convergence can be achieved, nonetheless, with minimal manual input. In addition to stitching microtubule centerlines, the correspondence is also applied to transform and merge the electron tomograms. We applied the proposed methods to samples from the mitotic spindle in C. elegans, the meiotic spindle in X. laevis, and sub-pellicular microtubule arrays in T. brucei. The methods were able to stitch microtubules across section boundaries in good agreement with experts' opinions for the spindle samples. Results, however, were not satisfactory for the microtubule arrays. For certain experiments, such as an analysis of the spindle, the proposed methods can replace manual expert tracing and thus enable the analysis of microtubules over long distances with reasonable manual effort.