A flexible and accurate digital volume correlation method applicable to high-resolution volumetric images

NASA Astrophysics Data System (ADS)

Pan, Bing; Wang, Bo

2017-10-01

Digital volume correlation (DVC) is a powerful technique for quantifying interior deformation within solid opaque materials and biological tissues. In the last two decades, great efforts have been made to improve the accuracy and efficiency of the DVC algorithm. However, there is still a lack of a flexible, robust and accurate version that can be efficiently implemented in personal computers with limited RAM. This paper proposes an advanced DVC method that can realize accurate full-field internal deformation measurement applicable to high-resolution volume images with up to billions of voxels. Specifically, a novel layer-wise reliability-guided displacement tracking strategy combined with dynamic data management is presented to guide the DVC computation from slice to slice. The displacements at specified calculation points in each layer are computed using the advanced 3D inverse-compositional Gauss-Newton algorithm with the complete initial guess of the deformation vector accurately predicted from the computed calculation points. Since only limited slices of interest in the reference and deformed volume images rather than the whole volume images are required, the DVC calculation can thus be efficiently implemented on personal computers. The flexibility, accuracy and efficiency of the presented DVC approach are demonstrated by analyzing computer-simulated and experimentally obtained high-resolution volume images.

Application of Local Discretization Methods in the NASA Finite-Volume General Circulation Model

NASA Technical Reports Server (NTRS)

Yeh, Kao-San; Lin, Shian-Jiann; Rood, Richard B.

2002-01-01

We present the basic ideas of the dynamics system of the finite-volume General Circulation Model developed at NASA Goddard Space Flight Center for climate simulations and other applications in meteorology. The dynamics of this model is designed with emphases on conservative and monotonic transport, where the property of Lagrangian conservation is used to maintain the physical consistency of the computational fluid for long-term simulations. As the model benefits from the noise-free solutions of monotonic finite-volume transport schemes, the property of Lagrangian conservation also partly compensates the accuracy of transport for the diffusion effects due to the treatment of monotonicity. By faithfully maintaining the fundamental laws of physics during the computation, this model is able to achieve sufficient accuracy for the global consistency of climate processes. Because the computing algorithms are based on local memory, this model has the advantage of efficiency in parallel computation with distributed memory. Further research is yet desirable to reduce the diffusion effects of monotonic transport for better accuracy, and to mitigate the limitation due to fast-moving gravity waves for better efficiency.

An Initial Multi-Domain Modeling of an Actively Cooled Structure

NASA Technical Reports Server (NTRS)

Steinthorsson, Erlendur

1997-01-01

A methodology for the simulation of turbine cooling flows is being developed. The methodology seeks to combine numerical techniques that optimize both accuracy and computational efficiency. Key components of the methodology include the use of multiblock grid systems for modeling complex geometries, and multigrid convergence acceleration for enhancing computational efficiency in highly resolved fluid flow simulations. The use of the methodology has been demonstrated in several turbo machinery flow and heat transfer studies. Ongoing and future work involves implementing additional turbulence models, improving computational efficiency, adding AMR.

Optimization of Computational Performance and Accuracy in 3-D Transient CFD Model for CFB Hydrodynamics Predictions

NASA Astrophysics Data System (ADS)

Rampidis, I.; Nikolopoulos, A.; Koukouzas, N.; Grammelis, P.; Kakaras, E.

2007-09-01

This work aims to present a pure 3-D CFD model, accurate and efficient, for the simulation of a pilot scale CFB hydrodynamics. The accuracy of the model was investigated as a function of the numerical parameters, in order to derive an optimum model setup with respect to computational cost. The necessity of the in depth examination of hydrodynamics emerges by the trend to scale up CFBCs. This scale up brings forward numerous design problems and uncertainties, which can be successfully elucidated by CFD techniques. Deriving guidelines for setting a computational efficient model is important as the scale of the CFBs grows fast, while computational power is limited. However, the optimum efficiency matter has not been investigated thoroughly in the literature as authors were more concerned for their models accuracy and validity. The objective of this work is to investigate the parameters that influence the efficiency and accuracy of CFB computational fluid dynamics models, find the optimum set of these parameters and thus establish this technique as a competitive method for the simulation and design of industrial, large scale beds, where the computational cost is otherwise prohibitive. During the tests that were performed in this work, the influence of turbulence modeling approach, time and space density and discretization schemes were investigated on a 1.2 MWth CFB test rig. Using Fourier analysis dominant frequencies were extracted in order to estimate the adequate time period for the averaging of all instantaneous values. The compliance with the experimental measurements was very good. The basic differences between the predictions that arose from the various model setups were pointed out and analyzed. The results showed that a model with high order space discretization schemes when applied on a coarse grid and averaging of the instantaneous scalar values for a 20 sec period, adequately described the transient hydrodynamic behaviour of a pilot CFB while the computational cost was kept low. Flow patterns inside the bed such as the core-annulus flow and the transportation of clusters were at least qualitatively captured.

Multiscale Space-Time Computational Methods for Fluid-Structure Interactions

DTIC Science & Technology

2015-09-13

prescribed fully or partially, is from an actual locust, extracted from high-speed, multi-camera video recordings of the locust in a wind tunnel . We use...With creative methods for coupling the fluid and structure, we can increase the scope and efficiency of the FSI modeling . Multiscale methods, which now...play an important role in computational mathematics, can also increase the accuracy and efficiency of the computer modeling techniques. The main

Indoor Pedestrian Localization Using iBeacon and Improved Kalman Filter.

PubMed

Sung, Kwangjae; Lee, Dong Kyu 'Roy'; Kim, Hwangnam

2018-05-26

The reliable and accurate indoor pedestrian positioning is one of the biggest challenges for location-based systems and applications. Most pedestrian positioning systems have drift error and large bias due to low-cost inertial sensors and random motions of human being, as well as unpredictable and time-varying radio-frequency (RF) signals used for position determination. To solve this problem, many indoor positioning approaches that integrate the user's motion estimated by dead reckoning (DR) method and the location data obtained by RSS fingerprinting through Bayesian filter, such as the Kalman filter (KF), unscented Kalman filter (UKF), and particle filter (PF), have recently been proposed to achieve higher positioning accuracy in indoor environments. Among Bayesian filtering methods, PF is the most popular integrating approach and can provide the best localization performance. However, since PF uses a large number of particles for the high performance, it can lead to considerable computational cost. This paper presents an indoor positioning system implemented on a smartphone, which uses simple dead reckoning (DR), RSS fingerprinting using iBeacon and machine learning scheme, and improved KF. The core of the system is the enhanced KF called a sigma-point Kalman particle filter (SKPF), which localize the user leveraging both the unscented transform of UKF and the weighting method of PF. The SKPF algorithm proposed in this study is used to provide the enhanced positioning accuracy by fusing positional data obtained from both DR and fingerprinting with uncertainty. The SKPF algorithm can achieve better positioning accuracy than KF and UKF and comparable performance compared to PF, and it can provide higher computational efficiency compared with PF. iBeacon in our positioning system is used for energy-efficient localization and RSS fingerprinting. We aim to design the localization scheme that can realize the high positioning accuracy, computational efficiency, and energy efficiency through the SKPF and iBeacon indoors. Empirical experiments in real environments show that the use of the SKPF algorithm and iBeacon in our indoor localization scheme can achieve very satisfactory performance in terms of localization accuracy, computational cost, and energy efficiency.

Y-MP floating point and Cholesky factorization

NASA Technical Reports Server (NTRS)

Carter, Russell

1991-01-01

The floating point arithmetics implemented in the Cray 2 and Cray Y-MP computer systems are nearly identical, but large scale computations performed on the two systems have exhibited significant differences in accuracy. The difference in accuracy is analyzed for Cholesky factorization algorithm, and it is found that the source of the difference is the subtract magnitude operation of the Cray Y-MP. The results from numerical experiments for a range of problem sizes are presented, and an efficient method for improving the accuracy of the factorization obtained on the Y-MP is presented.

Nondynamic Tracking Using The Global Positioning System

NASA Technical Reports Server (NTRS)

Yunck, T. P.; Wu, Sien-Chong

1988-01-01

Report describes technique for using Global Positioning System (GPS) to determine position of low Earth orbiter without need for dynamic models. Differential observing strategy requires GPS receiver on user vehicle and network of six ground receivers. Computationally efficient technique delivers decimeter accuracy on orbits down to lowest altitudes. New technique nondynamic long-arc strategy having potential for accuracy of best dynamic techniques while retaining much of computational simplicity of geometric techniques.

Relative efficiency and accuracy of two Navier-Stokes codes for simulating attached transonic flow over wings

NASA Technical Reports Server (NTRS)

Bonhaus, Daryl L.; Wornom, Stephen F.

1991-01-01

Two codes which solve the 3-D Thin Layer Navier-Stokes (TLNS) equations are used to compute the steady state flow for two test cases representing typical finite wings at transonic conditions. Several grids of C-O topology and varying point densities are used to determine the effects of grid refinement. After a description of each code and test case, standards for determining code efficiency and accuracy are defined and applied to determine the relative performance of the two codes in predicting turbulent transonic wing flows. Comparisons of computed surface pressure distributions with experimental data are made.

Spatial adaption procedures on unstructured meshes for accurate unsteady aerodynamic flow computation

NASA Technical Reports Server (NTRS)

Rausch, Russ D.; Batina, John T.; Yang, Henry T. Y.

1991-01-01

Spatial adaption procedures for the accurate and efficient solution of steady and unsteady inviscid flow problems are described. The adaption procedures were developed and implemented within a two-dimensional unstructured-grid upwind-type Euler code. These procedures involve mesh enrichment and mesh coarsening to either add points in a high gradient region or the flow or remove points where they are not needed, respectively, to produce solutions of high spatial accuracy at minimal computational costs. A detailed description is given of the enrichment and coarsening procedures and comparisons with alternative results and experimental data are presented to provide an assessment of the accuracy and efficiency of the capability. Steady and unsteady transonic results, obtained using spatial adaption for the NACA 0012 airfoil, are shown to be of high spatial accuracy, primarily in that the shock waves are very sharply captured. The results were obtained with a computational savings of a factor of approximately fifty-three for a steady case and as much as twenty-five for the unsteady cases.

Spatial adaption procedures on unstructured meshes for accurate unsteady aerodynamic flow computation

NASA Technical Reports Server (NTRS)

Rausch, Russ D.; Yang, Henry T. Y.; Batina, John T.

1991-01-01

Spatial adaption procedures for the accurate and efficient solution of steady and unsteady inviscid flow problems are described. The adaption procedures were developed and implemented within a two-dimensional unstructured-grid upwind-type Euler code. These procedures involve mesh enrichment and mesh coarsening to either add points in high gradient regions of the flow or remove points where they are not needed, respectively, to produce solutions of high spatial accuracy at minimal computational cost. The paper gives a detailed description of the enrichment and coarsening procedures and presents comparisons with alternative results and experimental data to provide an assessment of the accuracy and efficiency of the capability. Steady and unsteady transonic results, obtained using spatial adaption for the NACA 0012 airfoil, are shown to be of high spatial accuracy, primarily in that the shock waves are very sharply captured. The results were obtained with a computational savings of a factor of approximately fifty-three for a steady case and as much as twenty-five for the unsteady cases.

Improved Discrete Ordinate Solutions in the Presence of an Anisotropically Reflecting Lower Boundary: Upgrades of the DISORT Computational Tool

NASA Technical Reports Server (NTRS)

Lin, Z.; Stamnes, S.; Jin, Z.; Laszlo, I.; Tsay, S. C.; Wiscombe, W. J.; Stamnes, K.

2015-01-01

A successor version 3 of DISORT (DISORT3) is presented with important upgrades that improve the accuracy, efficiency, and stability of the algorithm. Compared with version 2 (DISORT2 released in 2000) these upgrades include (a) a redesigned BRDF computation that improves both speed and accuracy, (b) a revised treatment of the single scattering correction, and (c) additional efficiency and stability upgrades for beam sources. In DISORT3 the BRDF computation is improved in the following three ways: (i) the Fourier decomposition is prepared "off-line", thus avoiding the repeated internal computations done in DISORT2; (ii) a large enough number of terms in the Fourier expansion of the BRDF is employed to guarantee accurate values of the expansion coefficients (default is 200 instead of 50 in DISORT2); (iii) in the post processing step the reflection of the direct attenuated beam from the lower boundary is included resulting in a more accurate single scattering correction. These improvements in the treatment of the BRDF have led to improved accuracy and a several-fold increase in speed. In addition, the stability of beam sources has been improved by removing a singularity occurring when the cosine of the incident beam angle is too close to the reciprocal of any of the eigenvalues. The efficiency for beam sources has been further improved from reducing by a factor of 2 (compared to DISORT2) the dimension of the linear system of equations that must be solved to obtain the particular solutions, and by replacing the LINPAK routines used in DISORT2 by LAPACK 3.5 in DISORT3. These beam source stability and efficiency upgrades bring enhanced stability and an additional 5-7% improvement in speed. Numerical results are provided to demonstrate and quantify the improvements in accuracy and efficiency of DISORT3 compared to DISORT2.

Development of Semi-Automatic Lathe by using Intelligent Soft Computing Technique

NASA Astrophysics Data System (ADS)

Sakthi, S.; Niresh, J.; Vignesh, K.; Anand Raj, G.

2018-03-01

This paper discusses the enhancement of conventional lathe machine to semi-automated lathe machine by implementing a soft computing method. In the present scenario, lathe machine plays a vital role in the engineering division of manufacturing industry. While the manual lathe machines are economical, the accuracy and efficiency are not up to the mark. On the other hand, CNC machine provide the desired accuracy and efficiency, but requires a huge capital. In order to over come this situation, a semi-automated approach towards the conventional lathe machine is developed by employing stepper motors to the horizontal and vertical drive, that can be controlled by Arduino UNO -microcontroller. Based on the input parameters of the lathe operation the arduino coding is been generated and transferred to the UNO board. Thus upgrading from manual to semi-automatic lathe machines can significantly increase the accuracy and efficiency while, at the same time, keeping a check on investment cost and consequently provide a much needed escalation to the manufacturing industry.

Frozen Gaussian approximation based domain decomposition methods for the linear Schrödinger equation beyond the semi-classical regime

NASA Astrophysics Data System (ADS)

Lorin, E.; Yang, X.; Antoine, X.

2016-06-01

The paper is devoted to develop efficient domain decomposition methods for the linear Schrödinger equation beyond the semiclassical regime, which does not carry a small enough rescaled Planck constant for asymptotic methods (e.g. geometric optics) to produce a good accuracy, but which is too computationally expensive if direct methods (e.g. finite difference) are applied. This belongs to the category of computing middle-frequency wave propagation, where neither asymptotic nor direct methods can be directly used with both efficiency and accuracy. Motivated by recent works of the authors on absorbing boundary conditions (Antoine et al. (2014) [13] and Yang and Zhang (2014) [43]), we introduce Semiclassical Schwarz Waveform Relaxation methods (SSWR), which are seamless integrations of semiclassical approximation to Schwarz Waveform Relaxation methods. Two versions are proposed respectively based on Herman-Kluk propagation and geometric optics, and we prove the convergence and provide numerical evidence of efficiency and accuracy of these methods.

Utilizing fast multipole expansions for efficient and accurate quantum-classical molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Schwörer, Magnus; Lorenzen, Konstantin; Mathias, Gerald; Tavan, Paul

2015-03-01

Recently, a novel approach to hybrid quantum mechanics/molecular mechanics (QM/MM) molecular dynamics (MD) simulations has been suggested [Schwörer et al., J. Chem. Phys. 138, 244103 (2013)]. Here, the forces acting on the atoms are calculated by grid-based density functional theory (DFT) for a solute molecule and by a polarizable molecular mechanics (PMM) force field for a large solvent environment composed of several 103-105 molecules as negative gradients of a DFT/PMM hybrid Hamiltonian. The electrostatic interactions are efficiently described by a hierarchical fast multipole method (FMM). Adopting recent progress of this FMM technique [Lorenzen et al., J. Chem. Theory Comput. 10, 3244 (2014)], which particularly entails a strictly linear scaling of the computational effort with the system size, and adapting this revised FMM approach to the computation of the interactions between the DFT and PMM fragments of a simulation system, here, we show how one can further enhance the efficiency and accuracy of such DFT/PMM-MD simulations. The resulting gain of total performance, as measured for alanine dipeptide (DFT) embedded in water (PMM) by the product of the gains in efficiency and accuracy, amounts to about one order of magnitude. We also demonstrate that the jointly parallelized implementation of the DFT and PMM-MD parts of the computation enables the efficient use of high-performance computing systems. The associated software is available online.

On a fast calculation of structure factors at a subatomic resolution.

PubMed

Afonine, P V; Urzhumtsev, A

2004-01-01

In the last decade, the progress of protein crystallography allowed several protein structures to be solved at a resolution higher than 0.9 A. Such studies provide researchers with important new information reflecting very fine structural details. The signal from these details is very weak with respect to that corresponding to the whole structure. Its analysis requires high-quality data, which previously were available only for crystals of small molecules, and a high accuracy of calculations. The calculation of structure factors using direct formulae, traditional for 'small-molecule' crystallography, allows a relatively simple accuracy control. For macromolecular crystals, diffraction data sets at a subatomic resolution contain hundreds of thousands of reflections, and the number of parameters used to describe the corresponding models may reach the same order. Therefore, the direct way of calculating structure factors becomes very time expensive when applied to large molecules. These problems of high accuracy and computational efficiency require a re-examination of computer tools and algorithms. The calculation of model structure factors through an intermediate generation of an electron density [Sayre (1951). Acta Cryst. 4, 362-367; Ten Eyck (1977). Acta Cryst. A33, 486-492] may be much more computationally efficient, but contains some parameters (grid step, 'effective' atom radii etc.) whose influence on the accuracy of the calculation is not straightforward. At the same time, the choice of parameters within safety margins that largely ensure a sufficient accuracy may result in a significant loss of the CPU time, making it close to the time for the direct-formulae calculations. The impact of the different parameters on the computer efficiency of structure-factor calculation is studied. It is shown that an appropriate choice of these parameters allows the structure factors to be obtained with a high accuracy and in a significantly shorter time than that required when using the direct formulae. Practical algorithms for the optimal choice of the parameters are suggested.

An energy efficient and high speed architecture for convolution computing based on binary resistive random access memory

NASA Astrophysics Data System (ADS)

Liu, Chen; Han, Runze; Zhou, Zheng; Huang, Peng; Liu, Lifeng; Liu, Xiaoyan; Kang, Jinfeng

2018-04-01

In this work we present a novel convolution computing architecture based on metal oxide resistive random access memory (RRAM) to process the image data stored in the RRAM arrays. The proposed image storage architecture shows performances of better speed-device consumption efficiency compared with the previous kernel storage architecture. Further we improve the architecture for a high accuracy and low power computing by utilizing the binary storage and the series resistor. For a 28 × 28 image and 10 kernels with a size of 3 × 3, compared with the previous kernel storage approach, the newly proposed architecture shows excellent performances including: 1) almost 100% accuracy within 20% LRS variation and 90% HRS variation; 2) more than 67 times speed boost; 3) 71.4% energy saving.

Thermal radiation view factor: Methods, accuracy and computer-aided procedures

NASA Technical Reports Server (NTRS)

Kadaba, P. V.

1982-01-01

The computer aided thermal analysis programs which predicts the result of predetermined acceptable temperature range prior to stationing of these orbiting equipment in various attitudes with respect to the Sun and the Earth was examined. Complexity of the surface geometries suggests the use of numerical schemes for the determination of these viewfactors. Basic definitions and standard methods which form the basis for various digital computer methods and various numerical methods are presented. The physical model and the mathematical methods on which a number of available programs are built are summarized. The strength and the weaknesses of the methods employed, the accuracy of the calculations and the time required for computations are evaluated. The situations where accuracies are important for energy calculations are identified and methods to save computational times are proposed. Guide to best use of the available programs at several centers and the future choices for efficient use of digital computers are included in the recommendations.

Computing exact bundle compliance control charts via probability generating functions.

PubMed

Chen, Binchao; Matis, Timothy; Benneyan, James

2016-06-01

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

Investigations of fluid-strain interaction using Plate Boundary Observatory borehole data

NASA Astrophysics Data System (ADS)

Boyd, Jeffrey Michael

Software has a great impact on the energy efficiency of any computing system--it can manage the components of a system efficiently or inefficiently. The impact of software is amplified in the context of a wearable computing system used for activity recognition. The design space this platform opens up is immense and encompasses sensors, feature calculations, activity classification algorithms, sleep schedules, and transmission protocols. Design choices in each of these areas impact energy use, overall accuracy, and usefulness of the system. This thesis explores methods software can influence the trade-off between energy consumption and system accuracy. In general the more energy a system consumes the more accurate will be. We explore how finding the transitions between human activities is able to reduce the energy consumption of such systems without reducing much accuracy. We introduce the Log-likelihood Ratio Test as a method to detect transitions, and explore how choices of sensor, feature calculations, and parameters concerning time segmentation affect the accuracy of this method. We discovered an approximate 5X increase in energy efficiency could be achieved with only a 5% decrease in accuracy. We also address how a system's sleep mode, in which the processor enters a low-power state and sensors are turned off, affects a wearable computing platform that does activity recognition. We discuss the energy trade-offs in each stage of the activity recognition process. We find that careful analysis of these parameters can result in great increases in energy efficiency if small compromises in overall accuracy can be tolerated. We call this the ``Great Compromise.'' We found a 6X increase in efficiency with a 7% decrease in accuracy. We then consider how wireless transmission of data affects the overall energy efficiency of a wearable computing platform. We find that design decisions such as feature calculations and grouping size have a great impact on the energy consumption of the system because of the amount of data that is stored and transmitted. For example, storing and transmitting vector-based features such as FFT or DCT do not compress the signal and would use more energy than storing and transmitting the raw signal. The effect of grouping size on energy consumption depends on the feature. For scalar features energy consumption is proportional in the inverse of grouping size, so it's reduced as grouping size goes up. For features that depend on the grouping size, such as FFT, energy increases with the logarithm of grouping size, so energy consumption increases slowly as grouping size increases. We find that compressing data through activity classification and transition detection significantly reduces energy consumption and that the energy consumed for the classification overhead is negligible compared to the energy savings from data compression. We provide mathematical models of energy usage and data generation, and test our ideas using a mobile computing platform, the Texas Instruments Chronos watch.

Accuracy and efficiency of computer-aided anatomical analysis using 3D visualization software based on semi-automated and automated segmentations.

PubMed

An, Gao; Hong, Li; Zhou, Xiao-Bing; Yang, Qiong; Li, Mei-Qing; Tang, Xiang-Yang

2017-03-01

We investigated and compared the functionality of two 3D visualization software provided by a CT vendor and a third-party vendor, respectively. Using surgical anatomical measurement as baseline, we evaluated the accuracy of 3D visualization and verified their utility in computer-aided anatomical analysis. The study cohort consisted of 50 adult cadavers fixed with the classical formaldehyde method. The computer-aided anatomical analysis was based on CT images (in DICOM format) acquired by helical scan with contrast enhancement, using a CT vendor provided 3D visualization workstation (Syngo) and a third-party 3D visualization software (Mimics) that was installed on a PC. Automated and semi-automated segmentations were utilized in the 3D visualization workstation and software, respectively. The functionality and efficiency of automated and semi-automated segmentation methods were compared. Using surgical anatomical measurement as a baseline, the accuracy of 3D visualization based on automated and semi-automated segmentations was quantitatively compared. In semi-automated segmentation, the Mimics 3D visualization software outperformed the Syngo 3D visualization workstation. No significant difference was observed in anatomical data measurement by the Syngo 3D visualization workstation and the Mimics 3D visualization software (P>0.05). Both the Syngo 3D visualization workstation provided by a CT vendor and the Mimics 3D visualization software by a third-party vendor possessed the needed functionality, efficiency and accuracy for computer-aided anatomical analysis. Copyright © 2016 Elsevier GmbH. All rights reserved.

Space shuttle main engine numerical modeling code modifications and analysis

NASA Technical Reports Server (NTRS)

Ziebarth, John P.

1988-01-01

The user of computational fluid dynamics (CFD) codes must be concerned with the accuracy and efficiency of the codes if they are to be used for timely design and analysis of complicated three-dimensional fluid flow configurations. A brief discussion of how accuracy and efficiency effect the CFD solution process is given. A more detailed discussion of how efficiency can be enhanced by using a few Cray Research Inc. utilities to address vectorization is presented and these utilities are applied to a three-dimensional Navier-Stokes CFD code (INS3D).

Development of hardware accelerator for molecular dynamics simulations: a computation board that calculates nonbonded interactions in cooperation with fast multipole method.

PubMed

Amisaki, Takashi; Toyoda, Shinjiro; Miyagawa, Hiroh; Kitamura, Kunihiro

2003-04-15

Evaluation of long-range Coulombic interactions still represents a bottleneck in the molecular dynamics (MD) simulations of biological macromolecules. Despite the advent of sophisticated fast algorithms, such as the fast multipole method (FMM), accurate simulations still demand a great amount of computation time due to the accuracy/speed trade-off inherently involved in these algorithms. Unless higher order multipole expansions, which are extremely expensive to evaluate, are employed, a large amount of the execution time is still spent in directly calculating particle-particle interactions within the nearby region of each particle. To reduce this execution time for pair interactions, we developed a computation unit (board), called MD-Engine II, that calculates nonbonded pairwise interactions using a specially designed hardware. Four custom arithmetic-processors and a processor for memory manipulation ("particle processor") are mounted on the computation board. The arithmetic processors are responsible for calculation of the pair interactions. The particle processor plays a central role in realizing efficient cooperation with the FMM. The results of a series of 50-ps MD simulations of a protein-water system (50,764 atoms) indicated that a more stringent setting of accuracy in FMM computation, compared with those previously reported, was required for accurate simulations over long time periods. Such a level of accuracy was efficiently achieved using the cooperative calculations of the FMM and MD-Engine II. On an Alpha 21264 PC, the FMM computation at a moderate but tolerable level of accuracy was accelerated by a factor of 16.0 using three boards. At a high level of accuracy, the cooperative calculation achieved a 22.7-fold acceleration over the corresponding conventional FMM calculation. In the cooperative calculations of the FMM and MD-Engine II, it was possible to achieve more accurate computation at a comparable execution time by incorporating larger nearby regions. Copyright 2003 Wiley Periodicals, Inc. J Comput Chem 24: 582-592, 2003

Aerothermal modeling program, phase 2. Element B: Flow interaction experiment

NASA Technical Reports Server (NTRS)

Nikjooy, M.; Mongia, H. C.; Murthy, S. N. B.; Sullivan, J. P.

1986-01-01

The design process was improved and the efficiency, life, and maintenance costs of the turbine engine hot section was enhanced. Recently, there has been much emphasis on the need for improved numerical codes for the design of efficient combustors. For the development of improved computational codes, there is a need for an experimentally obtained data base to be used at test cases for the accuracy of the computations. The purpose of Element-B is to establish a benchmark quality velocity and scalar measurements of the flow interaction of circular jets with swirling flow typical of that in the dome region of annular combustor. In addition to the detailed experimental effort, extensive computations of the swirling flows are to be compared with the measurements for the purpose of assessing the accuracy of current and advanced turbulence and scalar transport models.

Algorithms for Efficient Computation of Transfer Functions for Large Order Flexible Systems

NASA Technical Reports Server (NTRS)

Maghami, Peiman G.; Giesy, Daniel P.

1998-01-01

An efficient and robust computational scheme is given for the calculation of the frequency response function of a large order, flexible system implemented with a linear, time invariant control system. Advantage is taken of the highly structured sparsity of the system matrix of the plant based on a model of the structure using normal mode coordinates. The computational time per frequency point of the new computational scheme is a linear function of system size, a significant improvement over traditional, still-matrix techniques whose computational times per frequency point range from quadratic to cubic functions of system size. This permits the practical frequency domain analysis of systems of much larger order than by traditional, full-matrix techniques. Formulations are given for both open- and closed-loop systems. Numerical examples are presented showing the advantages of the present formulation over traditional approaches, both in speed and in accuracy. Using a model with 703 structural modes, the present method was up to two orders of magnitude faster than a traditional method. The present method generally showed good to excellent accuracy throughout the range of test frequencies, while traditional methods gave adequate accuracy for lower frequencies, but generally deteriorated in performance at higher frequencies with worst case errors being many orders of magnitude times the correct values.

An efficient adaptive sampling strategy for global surrogate modeling with applications in multiphase flow simulation

NASA Astrophysics Data System (ADS)

Mo, S.; Lu, D.; Shi, X.; Zhang, G.; Ye, M.; Wu, J.

2016-12-01

Surrogate models have shown remarkable computational efficiency in hydrological simulations involving design space exploration, sensitivity analysis, uncertainty quantification, etc. The central task of constructing a global surrogate models is to achieve a prescribed approximation accuracy with as few original model executions as possible, which requires a good design strategy to optimize the distribution of data points in the parameter domains and an effective stopping criterion to automatically terminate the design process when desired approximation accuracy is achieved. This study proposes a novel adaptive sampling strategy, which starts from a small number of initial samples and adaptively selects additional samples by balancing the collection in unexplored regions and refinement in interesting areas. We define an efficient and effective evaluation metric basing on Taylor expansion to select the most promising potential samples from candidate points, and propose a robust stopping criterion basing on the approximation accuracy at new points to guarantee the achievement of desired accuracy. The numerical results of several benchmark analytical functions indicate that the proposed approach is more computationally efficient and robust than the widely used maximin distance design and two other well-known adaptive sampling strategies. The application to two complicated multiphase flow problems further demonstrates the efficiency and effectiveness of our method in constructing global surrogate models for high-dimensional and highly nonlinear problems. Acknowledgements: This work was financially supported by the National Nature Science Foundation of China grants No. 41030746 and 41172206.

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.

Research related to improved computer aided design software package. [comparative efficiency of finite, boundary, and hybrid element methods in elastostatics

NASA Technical Reports Server (NTRS)

Walston, W. H., Jr.

1986-01-01

The comparative computational efficiencies of the finite element (FEM), boundary element (BEM), and hybrid boundary element-finite element (HVFEM) analysis techniques are evaluated for representative bounded domain interior and unbounded domain exterior problems in elastostatics. Computational efficiency is carefully defined in this study as the computer time required to attain a specified level of solution accuracy. The study found the FEM superior to the BEM for the interior problem, while the reverse was true for the exterior problem. The hybrid analysis technique was found to be comparable or superior to both the FEM and BEM for both the interior and exterior problems.

Comparative analysis of autofocus functions in digital in-line phase-shifting holography.

PubMed

Fonseca, Elsa S R; Fiadeiro, Paulo T; Pereira, Manuela; Pinheiro, António

2016-09-20

Numerical reconstruction of digital holograms relies on a precise knowledge of the original object position. However, there are a number of relevant applications where this parameter is not known in advance and an efficient autofocusing method is required. This paper addresses the problem of finding optimal focusing methods for use in reconstruction of digital holograms of macroscopic amplitude and phase objects, using digital in-line phase-shifting holography in transmission mode. Fifteen autofocus measures, including spatial-, spectral-, and sparsity-based methods, were evaluated for both synthetic and experimental holograms. The Fresnel transform and the angular spectrum reconstruction methods were compared. Evaluation criteria included unimodality, accuracy, resolution, and computational cost. Autofocusing under angular spectrum propagation tends to perform better with respect to accuracy and unimodality criteria. Phase objects are, generally, more difficult to focus than amplitude objects. The normalized variance, the standard correlation, and the Tenenbaum gradient are the most reliable spatial-based metrics, combining computational efficiency with good accuracy and resolution. A good trade-off between focus performance and computational cost was found for the Fresnelet sparsity method.

Efficient grid-based techniques for density functional theory

NASA Astrophysics Data System (ADS)

Rodriguez-Hernandez, Juan Ignacio

Understanding the chemical and physical properties of molecules and materials at a fundamental level often requires quantum-mechanical models for these substance's electronic structure. This type of many body quantum mechanics calculation is computationally demanding, hindering its application to substances with more than a few hundreds atoms. The supreme goal of many researches in quantum chemistry---and the topic of this dissertation---is to develop more efficient computational algorithms for electronic structure calculations. In particular, this dissertation develops two new numerical integration techniques for computing molecular and atomic properties within conventional Kohn-Sham-Density Functional Theory (KS-DFT) of molecular electronic structure. The first of these grid-based techniques is based on the transformed sparse grid construction. In this construction, a sparse grid is generated in the unit cube and then mapped to real space according to the pro-molecular density using the conditional distribution transformation. The transformed sparse grid was implemented in program deMon2k, where it is used as the numerical integrator for the exchange-correlation energy and potential in the KS-DFT procedure. We tested our grid by computing ground state energies, equilibrium geometries, and atomization energies. The accuracy on these test calculations shows that our grid is more efficient than some previous integration methods: our grids use fewer points to obtain the same accuracy. The transformed sparse grids were also tested for integrating, interpolating and differentiating in different dimensions (n = 1,2,3,6). The second technique is a grid-based method for computing atomic properties within QTAIM. It was also implemented in deMon2k. The performance of the method was tested by computing QTAIM atomic energies, charges, dipole moments, and quadrupole moments. For medium accuracy, our method is the fastest one we know of.

Time-Accurate Local Time Stepping and High-Order Time CESE Methods for Multi-Dimensional Flows Using Unstructured Meshes

NASA Technical Reports Server (NTRS)

Chang, Chau-Lyan; Venkatachari, Balaji Shankar; Cheng, Gary

2013-01-01

With the wide availability of affordable multiple-core parallel supercomputers, next generation numerical simulations of flow physics are being focused on unsteady computations for problems involving multiple time scales and multiple physics. These simulations require higher solution accuracy than most algorithms and computational fluid dynamics codes currently available. This paper focuses on the developmental effort for high-fidelity multi-dimensional, unstructured-mesh flow solvers using the space-time conservation element, solution element (CESE) framework. Two approaches have been investigated in this research in order to provide high-accuracy, cross-cutting numerical simulations for a variety of flow regimes: 1) time-accurate local time stepping and 2) highorder CESE method. The first approach utilizes consistent numerical formulations in the space-time flux integration to preserve temporal conservation across the cells with different marching time steps. Such approach relieves the stringent time step constraint associated with the smallest time step in the computational domain while preserving temporal accuracy for all the cells. For flows involving multiple scales, both numerical accuracy and efficiency can be significantly enhanced. The second approach extends the current CESE solver to higher-order accuracy. Unlike other existing explicit high-order methods for unstructured meshes, the CESE framework maintains a CFL condition of one for arbitrarily high-order formulations while retaining the same compact stencil as its second-order counterpart. For large-scale unsteady computations, this feature substantially enhances numerical efficiency. Numerical formulations and validations using benchmark problems are discussed in this paper along with realistic examples.

Relation of exact Gaussian basis methods to the dephasing representation: Theory and application to time-resolved electronic spectra

NASA Astrophysics Data System (ADS)

Sulc, Miroslav; Hernandez, Henar; Martinez, Todd J.; Vanicek, Jiri

2014-03-01

We recently showed that the Dephasing Representation (DR) provides an efficient tool for computing ultrafast electronic spectra and that cellularization yields further acceleration [M. Šulc and J. Vaníček, Mol. Phys. 110, 945 (2012)]. Here we focus on increasing its accuracy by first implementing an exact Gaussian basis method (GBM) combining the accuracy of quantum dynamics and efficiency of classical dynamics. The DR is then derived together with ten other methods for computing time-resolved spectra with intermediate accuracy and efficiency. These include the Gaussian DR (GDR), an exact generalization of the DR, in which trajectories are replaced by communicating frozen Gaussians evolving classically with an average Hamiltonian. The methods are tested numerically on time correlation functions and time-resolved stimulated emission spectra in the harmonic potential, pyrazine S0 /S1 model, and quartic oscillator. Both the GBM and the GDR are shown to increase the accuracy of the DR. Surprisingly, in chaotic systems the GDR can outperform the presumably more accurate GBM, in which the two bases evolve separately. This research was supported by the Swiss NSF Grant No. 200021_124936/1 and NCCR Molecular Ultrafast Science & Technology (MUST), and by the EPFL.

An Efficient Neural-Network-Based Microseismic Monitoring Platform for Hydraulic Fracture on an Edge Computing Architecture.

PubMed

Zhang, Xiaopu; Lin, Jun; Chen, Zubin; Sun, Feng; Zhu, Xi; Fang, Gengfa

2018-06-05

Microseismic monitoring is one of the most critical technologies for hydraulic fracturing in oil and gas production. To detect events in an accurate and efficient way, there are two major challenges. One challenge is how to achieve high accuracy due to a poor signal-to-noise ratio (SNR). The other one is concerned with real-time data transmission. Taking these challenges into consideration, an edge-computing-based platform, namely Edge-to-Center LearnReduce, is presented in this work. The platform consists of a data center with many edge components. At the data center, a neural network model combined with convolutional neural network (CNN) and long short-term memory (LSTM) is designed and this model is trained by using previously obtained data. Once the model is fully trained, it is sent to edge components for events detection and data reduction. At each edge component, a probabilistic inference is added to the neural network model to improve its accuracy. Finally, the reduced data is delivered to the data center. Based on experiment results, a high detection accuracy (over 96%) with less transmitted data (about 90%) was achieved by using the proposed approach on a microseismic monitoring system. These results show that the platform can simultaneously improve the accuracy and efficiency of microseismic monitoring.

Discontinuous Galerkin Methods and High-Speed Turbulent Flows

NASA Astrophysics Data System (ADS)

Atak, Muhammed; Larsson, Johan; Munz, Claus-Dieter

2014-11-01

Discontinuous Galerkin methods gain increasing importance within the CFD community as they combine arbitrary high order of accuracy in complex geometries with parallel efficiency. Particularly the discontinuous Galerkin spectral element method (DGSEM) is a promising candidate for both the direct numerical simulation (DNS) and large eddy simulation (LES) of turbulent flows due to its excellent scaling attributes. In this talk, we present a DNS of a compressible turbulent boundary layer along a flat plate at a free-stream Mach number of M = 2.67 and assess the computational efficiency of the DGSEM at performing high-fidelity simulations of both transitional and turbulent boundary layers. We compare the accuracy of the results as well as the computational performance to results using a high order finite difference method.

Reproducing Quantum Probability Distributions at the Speed of Classical Dynamics: A New Approach for Developing Force-Field Functors.

PubMed

Sundar, Vikram; Gelbwaser-Klimovsky, David; Aspuru-Guzik, Alán

2018-04-05

Modeling nuclear quantum effects is required for accurate molecular dynamics (MD) simulations of molecules. The community has paid special attention to water and other biomolecules that show hydrogen bonding. Standard methods of modeling nuclear quantum effects like Ring Polymer Molecular Dynamics (RPMD) are computationally costlier than running classical trajectories. A force-field functor (FFF) is an alternative method that computes an effective force field that replicates quantum properties of the original force field. In this work, we propose an efficient method of computing FFF using the Wigner-Kirkwood expansion. As a test case, we calculate a range of thermodynamic properties of Neon, obtaining the same level of accuracy as RPMD, but with the shorter runtime of classical simulations. By modifying existing MD programs, the proposed method could be used in the future to increase the efficiency and accuracy of MD simulations involving water and proteins.

Computation of unsteady transonic aerodynamics with steady state fixed by truncation error injection

NASA Technical Reports Server (NTRS)

Fung, K.-Y.; Fu, J.-K.

1985-01-01

A novel technique is introduced for efficient computations of unsteady transonic aerodynamics. The steady flow corresponding to body shape is maintained by truncation error injection while the perturbed unsteady flows corresponding to unsteady body motions are being computed. This allows the use of different grids comparable to the characteristic length scales of the steady and unsteady flows and, hence, allows efficient computation of the unsteady perturbations. An example of typical unsteady computation of flow over a supercritical airfoil shows that substantial savings in computation time and storage without loss of solution accuracy can easily be achieved. This technique is easy to apply and requires very few changes to existing codes.

Exploiting the chaotic behaviour of atmospheric models with reconfigurable architectures

NASA Astrophysics Data System (ADS)

Russell, Francis P.; Düben, Peter D.; Niu, Xinyu; Luk, Wayne; Palmer, T. N.

2017-12-01

Reconfigurable architectures are becoming mainstream: Amazon, Microsoft and IBM are supporting such architectures in their data centres. The computationally intensive nature of atmospheric modelling is an attractive target for hardware acceleration using reconfigurable computing. Performance of hardware designs can be improved through the use of reduced-precision arithmetic, but maintaining appropriate accuracy is essential. We explore reduced-precision optimisation for simulating chaotic systems, targeting atmospheric modelling, in which even minor changes in arithmetic behaviour will cause simulations to diverge quickly. The possibility of equally valid simulations having differing outcomes means that standard techniques for comparing numerical accuracy are inappropriate. We use the Hellinger distance to compare statistical behaviour between reduced-precision CPU implementations to guide reconfigurable designs of a chaotic system, then analyse accuracy, performance and power efficiency of the resulting implementations. Our results show that with only a limited loss in accuracy corresponding to less than 10% uncertainty in input parameters, the throughput and energy efficiency of a single-precision chaotic system implemented on a Xilinx Virtex-6 SX475T Field Programmable Gate Array (FPGA) can be more than doubled.

Efficient Computation of Closed-loop Frequency Response for Large Order Flexible Systems

NASA Technical Reports Server (NTRS)

Maghami, Peiman G.; Giesy, Daniel P.

1997-01-01

An efficient and robust computational scheme is given for the calculation of the frequency response function of a large order, flexible system implemented with a linear, time invariant control system. Advantage is taken of the highly structured sparsity of the system matrix of the plant based on a model of the structure using normal mode coordinates. The computational time per frequency point of the new computational scheme is a linear function of system size, a significant improvement over traditional, full-matrix techniques whose computational times per frequency point range from quadratic to cubic functions of system size. This permits the practical frequency domain analysis of systems of much larger order than by traditional, full-matrix techniques. Formulations are given for both open and closed loop loop systems. Numerical examples are presented showing the advantages of the present formulation over traditional approaches, both in speed and in accuracy. Using a model with 703 structural modes, a speed-up of almost two orders of magnitude was observed while accuracy improved by up to 5 decimal places.

REVEAL: An Extensible Reduced Order Model Builder for Simulation and Modeling

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

Agarwal, Khushbu; Sharma, Poorva; Ma, Jinliang

2013-04-30

Many science domains need to build computationally efficient and accurate representations of high fidelity, computationally expensive simulations. These computationally efficient versions are known as reduced-order models. This paper presents the design and implementation of a novel reduced-order model (ROM) builder, the REVEAL toolset. This toolset generates ROMs based on science- and engineering-domain specific simulations executed on high performance computing (HPC) platforms. The toolset encompasses a range of sampling and regression methods that can be used to generate a ROM, automatically quantifies the ROM accuracy, and provides support for an iterative approach to improve ROM accuracy. REVEAL is designed to bemore » extensible in order to utilize the core functionality with any simulator that has published input and output formats. It also defines programmatic interfaces to include new sampling and regression techniques so that users can ‘mix and match’ mathematical techniques to best suit the characteristics of their model. In this paper, we describe the architecture of REVEAL and demonstrate its usage with a computational fluid dynamics model used in carbon capture.« less

Memristor-Based Analog Computation and Neural Network Classification with a Dot Product Engine.

PubMed

Hu, Miao; Graves, Catherine E; Li, Can; Li, Yunning; Ge, Ning; Montgomery, Eric; Davila, Noraica; Jiang, Hao; Williams, R Stanley; Yang, J Joshua; Xia, Qiangfei; Strachan, John Paul

2018-03-01

Using memristor crossbar arrays to accelerate computations is a promising approach to efficiently implement algorithms in deep neural networks. Early demonstrations, however, are limited to simulations or small-scale problems primarily due to materials and device challenges that limit the size of the memristor crossbar arrays that can be reliably programmed to stable and analog values, which is the focus of the current work. High-precision analog tuning and control of memristor cells across a 128 × 64 array is demonstrated, and the resulting vector matrix multiplication (VMM) computing precision is evaluated. Single-layer neural network inference is performed in these arrays, and the performance compared to a digital approach is assessed. Memristor computing system used here reaches a VMM accuracy equivalent of 6 bits, and an 89.9% recognition accuracy is achieved for the 10k MNIST handwritten digit test set. Forecasts show that with integrated (on chip) and scaled memristors, a computational efficiency greater than 100 trillion operations per second per Watt is possible. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Computer-assisted coding and clinical documentation: first things first.

PubMed

Tully, Melinda; Carmichael, Angela

2012-10-01

Computer-assisted coding tools have the potential to drive improvements in seven areas: Transparency of coding. Productivity (generally by 20 to 25 percent for inpatient claims). Accuracy (by improving specificity of documentation). Cost containment (by reducing overtime expenses, audit fees, and denials). Compliance. Efficiency. Consistency.

Feature extraction using first and second derivative extrema (FSDE) for real-time and hardware-efficient spike sorting.

PubMed

Paraskevopoulou, Sivylla E; Barsakcioglu, Deren Y; Saberi, Mohammed R; Eftekhar, Amir; Constandinou, Timothy G

2013-04-30

Next generation neural interfaces aspire to achieve real-time multi-channel systems by integrating spike sorting on chip to overcome limitations in communication channel capacity. The feasibility of this approach relies on developing highly efficient algorithms for feature extraction and clustering with the potential of low-power hardware implementation. We are proposing a feature extraction method, not requiring any calibration, based on first and second derivative features of the spike waveform. The accuracy and computational complexity of the proposed method are quantified and compared against commonly used feature extraction methods, through simulation across four datasets (with different single units) at multiple noise levels (ranging from 5 to 20% of the signal amplitude). The average classification error is shown to be below 7% with a computational complexity of 2N-3, where N is the number of sample points of each spike. Overall, this method presents a good trade-off between accuracy and computational complexity and is thus particularly well-suited for hardware-efficient implementation. Copyright © 2013 Elsevier B.V. All rights reserved.

A computational framework to detect normal and tuberculosis infected lung from H and E-stained whole slide images

NASA Astrophysics Data System (ADS)

Niazi, M. Khalid Khan; Beamer, Gillian; Gurcan, Metin N.

2017-03-01

Accurate detection and quantification of normal lung tissue in the context of Mycobacterium tuberculosis infection is of interest from a biological perspective. The automatic detection and quantification of normal lung will allow the biologists to focus more intensely on regions of interest within normal and infected tissues. We present a computational framework to extract individual tissue sections from whole slide images having multiple tissue sections. It automatically detects the background, red blood cells and handwritten digits to bring efficiency as well as accuracy in quantification of tissue sections. For efficiency, we model our framework with logical and morphological operations as they can be performed in linear time. We further divide these individual tissue sections into normal and infected areas using deep neural network. The computational framework was trained on 60 whole slide images. The proposed computational framework resulted in an overall accuracy of 99.2% when extracting individual tissue sections from 120 whole slide images in the test dataset. The framework resulted in a relatively higher accuracy (99.7%) while classifying individual lung sections into normal and infected areas. Our preliminary findings suggest that the proposed framework has good agreement with biologists on how define normal and infected lung areas.

3D Higher Order Modeling in the BEM/FEM Hybrid Formulation

NASA Technical Reports Server (NTRS)

Fink, P. W.; Wilton, D. R.

2000-01-01

Higher order divergence- and curl-conforming bases have been shown to provide significant benefits, in both convergence rate and accuracy, in the 2D hybrid finite element/boundary element formulation (P. Fink and D. Wilton, National Radio Science Meeting, Boulder, CO, Jan. 2000). A critical issue in achieving the potential for accuracy of the approach is the accurate evaluation of all matrix elements. These involve products of high order polynomials and, in some instances, singular Green's functions. In the 2D formulation, the use of a generalized Gaussian quadrature method was found to greatly facilitate the computation and to improve the accuracy of the boundary integral equation self-terms. In this paper, a 3D, hybrid electric field formulation employing higher order bases and higher order elements is presented. The improvements in convergence rate and accuracy, compared to those resulting from lower order modeling, are established. Techniques developed to facilitate the computation of the boundary integral self-terms are also shown to improve the accuracy of these terms. Finally, simple preconditioning techniques are used in conjunction with iterative solution procedures to solve the resulting linear system efficiently. In order to handle the boundary integral singularities in the 3D formulation, the parent element- either a triangle or rectangle-is subdivided into a set of sub-triangles with a common vertex at the singularity. The contribution to the integral from each of the sub-triangles is computed using the Duffy transformation to remove the singularity. This method is shown to greatly facilitate t'pe self-term computation when the bases are of higher order. In addition, the sub-triangles can be further divided to achieve near arbitrary accuracy in the self-term computation. An efficient method for subdividing the parent element is presented. The accuracy obtained using higher order bases is compared to that obtained using lower order bases when the number of unknowns is approximately equal. Also, convergence rates obtained using higher order bases are compared to those obtained with lower order bases for selected sample

Kruskal-Wallis-based computationally efficient feature selection for face recognition.

PubMed

Ali Khan, Sajid; Hussain, Ayyaz; Basit, Abdul; Akram, Sheeraz

2014-01-01

Face recognition in today's technological world, and face recognition applications attain much more importance. Most of the existing work used frontal face images to classify face image. However these techniques fail when applied on real world face images. The proposed technique effectively extracts the prominent facial features. Most of the features are redundant and do not contribute to representing face. In order to eliminate those redundant features, computationally efficient algorithm is used to select the more discriminative face features. Extracted features are then passed to classification step. In the classification step, different classifiers are ensemble to enhance the recognition accuracy rate as single classifier is unable to achieve the high accuracy. Experiments are performed on standard face database images and results are compared with existing techniques.

Hybrid RANS-LES using high order numerical methods

NASA Astrophysics Data System (ADS)

Henry de Frahan, Marc; Yellapantula, Shashank; Vijayakumar, Ganesh; Knaus, Robert; Sprague, Michael

2017-11-01

Understanding the impact of wind turbine wake dynamics on downstream turbines is particularly important for the design of efficient wind farms. Due to their tractable computational cost, hybrid RANS/LES models are an attractive framework for simulating separation flows such as the wake dynamics behind a wind turbine. High-order numerical methods can be computationally efficient and provide increased accuracy in simulating complex flows. In the context of LES, high-order numerical methods have shown some success in predictions of turbulent flows. However, the specifics of hybrid RANS-LES models, including the transition region between both modeling frameworks, pose unique challenges for high-order numerical methods. In this work, we study the effect of increasing the order of accuracy of the numerical scheme in simulations of canonical turbulent flows using RANS, LES, and hybrid RANS-LES models. We describe the interactions between filtering, model transition, and order of accuracy and their effect on turbulence quantities such as kinetic energy spectra, boundary layer evolution, and dissipation rate. This work was funded by the U.S. Department of Energy, Exascale Computing Project, under Contract No. DE-AC36-08-GO28308 with the National Renewable Energy Laboratory.

Approximate Algorithms for Computing Spatial Distance Histograms with Accuracy Guarantees

PubMed Central

Grupcev, Vladimir; Yuan, Yongke; Tu, Yi-Cheng; Huang, Jin; Chen, Shaoping; Pandit, Sagar; Weng, Michael

2014-01-01

Particle simulation has become an important research tool in many scientific and engineering fields. Data generated by such simulations impose great challenges to database storage and query processing. One of the queries against particle simulation data, the spatial distance histogram (SDH) query, is the building block of many high-level analytics, and requires quadratic time to compute using a straightforward algorithm. Previous work has developed efficient algorithms that compute exact SDHs. While beating the naive solution, such algorithms are still not practical in processing SDH queries against large-scale simulation data. In this paper, we take a different path to tackle this problem by focusing on approximate algorithms with provable error bounds. We first present a solution derived from the aforementioned exact SDH algorithm, and this solution has running time that is unrelated to the system size N. We also develop a mathematical model to analyze the mechanism that leads to errors in the basic approximate algorithm. Our model provides insights on how the algorithm can be improved to achieve higher accuracy and efficiency. Such insights give rise to a new approximate algorithm with improved time/accuracy tradeoff. Experimental results confirm our analysis. PMID:24693210

A Reduced-Order Model for Efficient Simulation of Synthetic Jet Actuators

NASA Technical Reports Server (NTRS)

Yamaleev, Nail K.; Carpenter, Mark H.

2003-01-01

A new reduced-order model of multidimensional synthetic jet actuators that combines the accuracy and conservation properties of full numerical simulation methods with the efficiency of simplified zero-order models is proposed. The multidimensional actuator is simulated by solving the time-dependent compressible quasi-1-D Euler equations, while the diaphragm is modeled as a moving boundary. The governing equations are approximated with a fourth-order finite difference scheme on a moving mesh such that one of the mesh boundaries coincides with the diaphragm. The reduced-order model of the actuator has several advantages. In contrast to the 3-D models, this approach provides conservation of mass, momentum, and energy. Furthermore, the new method is computationally much more efficient than the multidimensional Navier-Stokes simulation of the actuator cavity flow, while providing practically the same accuracy in the exterior flowfield. The most distinctive feature of the present model is its ability to predict the resonance characteristics of synthetic jet actuators; this is not practical when using the 3-D models because of the computational cost involved. Numerical results demonstrating the accuracy of the new reduced-order model and its limitations are presented.

Application of linear regression analysis in accuracy assessment of rolling force calculations

NASA Astrophysics Data System (ADS)

Poliak, E. I.; Shim, M. K.; Kim, G. S.; Choo, W. Y.

1998-10-01

Efficient operation of the computational models employed in process control systems require periodical assessment of the accuracy of their predictions. Linear regression is proposed as a tool which allows separate systematic and random prediction errors from those related to measurements. A quantitative characteristic of the model predictive ability is introduced in addition to standard statistical tests for model adequacy. Rolling force calculations are considered as an example for the application. However, the outlined approach can be used to assess the performance of any computational model.

Factors influencing use of an e-health website in a community sample of older adults.

PubMed

Czaja, Sara J; Sharit, Joseph; Lee, Chin Chin; Nair, Sankaran N; Hernández, Mario A; Arana, Neysarí; Fu, Shih Hua

2013-01-01

The use of the internet as a source of health information and link to healthcare services has raised concerns about the ability of consumers, especially vulnerable populations such as older adults, to access these applications. This study examined the influence of training on the ability of adults (aged 45+ years) to use the Medicare.gov website to solve problems related to health management. The influence of computer experience and cognitive abilities on performance was also examined. Seventy-one participants, aged 47-92, were randomized into a Multimedia training, Unimodal training, or Cold Start condition and completed three healthcare management problems. MEASUREMENT AND ANALYSES: Computer/internet experience was measured via questionnaire, and cognitive abilities were assessed using standard neuropsychological tests. Performance metrics included measures of navigation, accuracy and efficiency. Data were analyzed using analysis of variance, χ(2) and regression techniques. The data indicate that there was no difference among the three conditions on measures of accuracy, efficiency, or navigation. However, results of the regression analyses showed that, overall, people who received training performed better on the tasks, as evidenced by greater accuracy and efficiency. Performance was also significantly influenced by prior computer experience and cognitive abilities. Participants with more computer experience and higher cognitive abilities performed better. The findings indicate that training, experience, and abilities are important when using complex health websites. However, training alone is not sufficient. The complexity of web content needs to be considered to ensure successful use of these websites by those with lower abilities.

Factors influencing use of an e-health website in a community sample of older adults

PubMed Central

Sharit, Joseph; Lee, Chin Chin; Nair, Sankaran N; Hernández, Mario A; Arana, Neysarí; Fu, Shih Hua

2013-01-01

Objective The use of the internet as a source of health information and link to healthcare services has raised concerns about the ability of consumers, especially vulnerable populations such as older adults, to access these applications. This study examined the influence of training on the ability of adults (aged 45+ years) to use the Medicare.gov website to solve problems related to health management. The influence of computer experience and cognitive abilities on performance was also examined. Design Seventy-one participants, aged 47–92, were randomized into a Multimedia training, Unimodal training, or Cold Start condition and completed three healthcare management problems. Measurement and analyses Computer/internet experience was measured via questionnaire, and cognitive abilities were assessed using standard neuropsychological tests. Performance metrics included measures of navigation, accuracy and efficiency. Data were analyzed using analysis of variance, χ2 and regression techniques. Results The data indicate that there was no difference among the three conditions on measures of accuracy, efficiency, or navigation. However, results of the regression analyses showed that, overall, people who received training performed better on the tasks, as evidenced by greater accuracy and efficiency. Performance was also significantly influenced by prior computer experience and cognitive abilities. Participants with more computer experience and higher cognitive abilities performed better. Conclusions The findings indicate that training, experience, and abilities are important when using complex health websites. However, training alone is not sufficient. The complexity of web content needs to be considered to ensure successful use of these websites by those with lower abilities. PMID:22802269

An approximate solution to improve computational efficiency of impedance-type payload load prediction

NASA Technical Reports Server (NTRS)

White, C. W.

1981-01-01

The computational efficiency of the impedance type loads prediction method was studied. Three goals were addressed: devise a method to make the impedance method operate more efficiently in the computer; assess the accuracy and convenience of the method for determining the effect of design changes; and investigate the use of the method to identify design changes for reduction of payload loads. The method is suitable for calculation of dynamic response in either the frequency or time domain. It is concluded that: the choice of an orthogonal coordinate system will allow the impedance method to operate more efficiently in the computer; the approximate mode impedance technique is adequate for determining the effect of design changes, and is applicable for both statically determinate and statically indeterminate payload attachments; and beneficial design changes to reduce payload loads can be identified by the combined application of impedance techniques and energy distribution review techniques.

Generating relevant kinetic Monte Carlo catalogs using temperature accelerated dynamics with control over the accuracy

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

Chatterjee, Abhijit; Voter, Arthur

2009-01-01

We develop a variation of the temperature accelerated dynamics (TAD) method, called the p-TAD method, that efficiently generates an on-the-fly kinetic Monte Carlo (KMC) process catalog with control over the accuracy of the catalog. It is assumed that transition state theory is valid. The p-TAD method guarantees that processes relevant at the timescales of interest to the simulation are present in the catalog with a chosen confidence. A confidence measure associated with the process catalog is derived. The dynamics is then studied using the process catalog with the KMC method. Effective accuracy of a p-TAD calculation is derived when amore » KMC catalog is reused for conditions different from those the catalog was originally generated for. Different KMC catalog generation strategies that exploit the features of the p-TAD method and ensure higher accuracy and/or computational efficiency are presented. The accuracy and the computational requirements of the p-TAD method are assessed. Comparisons to the original TAD method are made. As an example, we study dynamics in sub-monolayer Ag/Cu(110) at the time scale of seconds using the p-TAD method. It is demonstrated that the p-TAD method overcomes several challenges plaguing the conventional KMC method.« less

Partition method and experimental validation for impact dynamics of flexible multibody system

NASA Astrophysics Data System (ADS)

Wang, J. Y.; Liu, Z. Y.; Hong, J. Z.

2018-06-01

The impact problem of a flexible multibody system is a non-smooth, high-transient, and strong-nonlinear dynamic process with variable boundary. How to model the contact/impact process accurately and efficiently is one of the main difficulties in many engineering applications. The numerical approaches being used widely in impact analysis are mainly from two fields: multibody system dynamics (MBS) and computational solid mechanics (CSM). Approaches based on MBS provide a more efficient yet less accurate analysis of the contact/impact problems, while approaches based on CSM are well suited for particularly high accuracy needs, yet require very high computational effort. To bridge the gap between accuracy and efficiency in the dynamic simulation of a flexible multibody system with contacts/impacts, a partition method is presented considering that the contact body is divided into two parts, an impact region and a non-impact region. The impact region is modeled using the finite element method to guarantee the local accuracy, while the non-impact region is modeled using the modal reduction approach to raise the global efficiency. A three-dimensional rod-plate impact experiment is designed and performed to validate the numerical results. The principle for how to partition the contact bodies is proposed: the maximum radius of the impact region can be estimated by an analytical method, and the modal truncation orders of the non-impact region can be estimated by the highest frequency of the signal measured. The simulation results using the presented method are in good agreement with the experimental results. It shows that this method is an effective formulation considering both accuracy and efficiency. Moreover, a more complicated multibody impact problem of a crank slider mechanism is investigated to strengthen this conclusion.

Assessing the predictive capability of randomized tree-based ensembles in streamflow modelling

NASA Astrophysics Data System (ADS)

Galelli, S.; Castelletti, A.

2013-02-01

Combining randomization methods with ensemble prediction is emerging as an effective option to balance accuracy and computational efficiency in data-driven modeling. In this paper we investigate the prediction capability of extremely randomized trees (Extra-Trees), in terms of accuracy, explanation ability and computational efficiency, in a streamflow modeling exercise. Extra-Trees are a totally randomized tree-based ensemble method that (i) alleviates the poor generalization property and tendency to overfitting of traditional standalone decision trees (e.g. CART); (ii) is computationally very efficient; and, (iii) allows to infer the relative importance of the input variables, which might help in the ex-post physical interpretation of the model. The Extra-Trees potential is analyzed on two real-world case studies (Marina catchment (Singapore) and Canning River (Western Australia)) representing two different morphoclimatic contexts comparatively with other tree-based methods (CART and M5) and parametric data-driven approaches (ANNs and multiple linear regression). Results show that Extra-Trees perform comparatively well to the best of the benchmarks (i.e. M5) in both the watersheds, while outperforming the other approaches in terms of computational requirement when adopted on large datasets. In addition, the ranking of the input variable provided can be given a physically meaningful interpretation.

Assessing the predictive capability of randomized tree-based ensembles in streamflow modelling

NASA Astrophysics Data System (ADS)

Galelli, S.; Castelletti, A.

2013-07-01

Combining randomization methods with ensemble prediction is emerging as an effective option to balance accuracy and computational efficiency in data-driven modelling. In this paper, we investigate the prediction capability of extremely randomized trees (Extra-Trees), in terms of accuracy, explanation ability and computational efficiency, in a streamflow modelling exercise. Extra-Trees are a totally randomized tree-based ensemble method that (i) alleviates the poor generalisation property and tendency to overfitting of traditional standalone decision trees (e.g. CART); (ii) is computationally efficient; and, (iii) allows to infer the relative importance of the input variables, which might help in the ex-post physical interpretation of the model. The Extra-Trees potential is analysed on two real-world case studies - Marina catchment (Singapore) and Canning River (Western Australia) - representing two different morphoclimatic contexts. The evaluation is performed against other tree-based methods (CART and M5) and parametric data-driven approaches (ANNs and multiple linear regression). Results show that Extra-Trees perform comparatively well to the best of the benchmarks (i.e. M5) in both the watersheds, while outperforming the other approaches in terms of computational requirement when adopted on large datasets. In addition, the ranking of the input variable provided can be given a physically meaningful interpretation.

A novel combined SLAM based on RBPF-SLAM and EIF-SLAM for mobile system sensing in a large scale environment.

PubMed

He, Bo; Zhang, Shujing; Yan, Tianhong; Zhang, Tao; Liang, Yan; Zhang, Hongjin

2011-01-01

Mobile autonomous systems are very important for marine scientific investigation and military applications. Many algorithms have been studied to deal with the computational efficiency problem required for large scale simultaneous localization and mapping (SLAM) and its related accuracy and consistency. Among these methods, submap-based SLAM is a more effective one. By combining the strength of two popular mapping algorithms, the Rao-Blackwellised particle filter (RBPF) and extended information filter (EIF), this paper presents a combined SLAM-an efficient submap-based solution to the SLAM problem in a large scale environment. RBPF-SLAM is used to produce local maps, which are periodically fused into an EIF-SLAM algorithm. RBPF-SLAM can avoid linearization of the robot model during operating and provide a robust data association, while EIF-SLAM can improve the whole computational speed, and avoid the tendency of RBPF-SLAM to be over-confident. In order to further improve the computational speed in a real time environment, a binary-tree-based decision-making strategy is introduced. Simulation experiments show that the proposed combined SLAM algorithm significantly outperforms currently existing algorithms in terms of accuracy and consistency, as well as the computing efficiency. Finally, the combined SLAM algorithm is experimentally validated in a real environment by using the Victoria Park dataset.

A Hierarchical Algorithm for Fast Debye Summation with Applications to Small Angle Scattering

PubMed Central

Gumerov, Nail A.; Berlin, Konstantin; Fushman, David; Duraiswami, Ramani

2012-01-01

Debye summation, which involves the summation of sinc functions of distances between all pair of atoms in three dimensional space, arises in computations performed in crystallography, small/wide angle X-ray scattering (SAXS/WAXS) and small angle neutron scattering (SANS). Direct evaluation of Debye summation has quadratic complexity, which results in computational bottleneck when determining crystal properties, or running structure refinement protocols that involve SAXS or SANS, even for moderately sized molecules. We present a fast approximation algorithm that efficiently computes the summation to any prescribed accuracy ε in linear time. The algorithm is similar to the fast multipole method (FMM), and is based on a hierarchical spatial decomposition of the molecule coupled with local harmonic expansions and translation of these expansions. An even more efficient implementation is possible when the scattering profile is all that is required, as in small angle scattering reconstruction (SAS) of macromolecules. We examine the relationship of the proposed algorithm to existing approximate methods for profile computations, and show that these methods may result in inaccurate profile computations, unless an error bound derived in this paper is used. Our theoretical and computational results show orders of magnitude improvement in computation complexity over existing methods, while maintaining prescribed accuracy. PMID:22707386

Robust efficient video fingerprinting

NASA Astrophysics Data System (ADS)

Puri, Manika; Lubin, Jeffrey

2009-02-01

We have developed a video fingerprinting system with robustness and efficiency as the primary and secondary design criteria. In extensive testing, the system has shown robustness to cropping, letter-boxing, sub-titling, blur, drastic compression, frame rate changes, size changes and color changes, as well as to the geometric distortions often associated with camcorder capture in cinema settings. Efficiency is afforded by a novel two-stage detection process in which a fast matching process first computes a number of likely candidates, which are then passed to a second slower process that computes the overall best match with minimal false alarm probability. One key component of the algorithm is a maximally stable volume computation - a three-dimensional generalization of maximally stable extremal regions - that provides a content-centric coordinate system for subsequent hash function computation, independent of any affine transformation or extensive cropping. Other key features include an efficient bin-based polling strategy for initial candidate selection, and a final SIFT feature-based computation for final verification. We describe the algorithm and its performance, and then discuss additional modifications that can provide further improvement to efficiency and accuracy.

A multigrid nonoscillatory method for computing high speed flows

NASA Technical Reports Server (NTRS)

Li, C. P.; Shieh, T. H.

1993-01-01

A multigrid method using different smoothers has been developed to solve the Euler equations discretized by a nonoscillatory scheme up to fourth order accuracy. The best smoothing property is provided by a five-stage Runge-Kutta technique with optimized coefficients, yet the most efficient smoother is a backward Euler technique in factored and diagonalized form. The singlegrid solution for a hypersonic, viscous conic flow is in excellent agreement with the solution obtained by the third order MUSCL and Roe's method. Mach 8 inviscid flow computations for a complete entry probe have shown that the accuracy is at least as good as the symmetric TVD scheme of Yee and Harten. The implicit multigrid method is four times more efficient than the explicit multigrid technique and 3.5 times faster than the single-grid implicit technique. For a Mach 8.7 inviscid flow over a blunt delta wing at 30 deg incidence, the CPU reduction factor from the three-level multigrid computation is 2.2 on a grid of 37 x 41 x 73 nodes.

An adaptive grid to improve the efficiency and accuracy of modelling underwater noise from shipping

NASA Astrophysics Data System (ADS)

Trigg, Leah; Chen, Feng; Shapiro, Georgy; Ingram, Simon; Embling, Clare

2017-04-01

Underwater noise from shipping is becoming a significant concern and has been listed as a pollutant under Descriptor 11 of the Marine Strategy Framework Directive. Underwater noise models are an essential tool to assess and predict noise levels for regulatory procedures such as environmental impact assessments and ship noise monitoring. There are generally two approaches to noise modelling. The first is based on simplified energy flux models, assuming either spherical or cylindrical propagation of sound energy. These models are very quick but they ignore important water column and seabed properties, and produce significant errors in the areas subject to temperature stratification (Shapiro et al., 2014). The second type of model (e.g. ray-tracing and parabolic equation) is based on an advanced physical representation of sound propagation. However, these acoustic propagation models are computationally expensive to execute. Shipping noise modelling requires spatial discretization in order to group noise sources together using a grid. A uniform grid size is often selected to achieve either the greatest efficiency (i.e. speed of computations) or the greatest accuracy. In contrast, this work aims to produce efficient and accurate noise level predictions by presenting an adaptive grid where cell size varies with distance from the receiver. The spatial range over which a certain cell size is suitable was determined by calculating the distance from the receiver at which propagation loss becomes uniform across a grid cell. The computational efficiency and accuracy of the resulting adaptive grid was tested by comparing it to uniform 1 km and 5 km grids. These represent an accurate and computationally efficient grid respectively. For a case study of the Celtic Sea, an application of the adaptive grid over an area of 160×160 km reduced the number of model executions required from 25600 for a 1 km grid to 5356 in December and to between 5056 and 13132 in August, which represents a 2 to 5-fold increase in efficiency. The 5 km grid reduces the number of model executions further to 1024. However, over the first 25 km the 5 km grid produces errors of up to 13.8 dB when compared to the highly accurate but inefficient 1 km grid. The newly developed adaptive grid generates much smaller errors of less than 0.5 dB while demonstrating high computational efficiency. Our results show that the adaptive grid provides the ability to retain the accuracy of noise level predictions and improve the efficiency of the modelling process. This can help safeguard sensitive marine ecosystems from noise pollution by improving the underwater noise predictions that inform management activities. References Shapiro, G., Chen, F., Thain, R., 2014. The Effect of Ocean Fronts on Acoustic Wave Propagation in a Shallow Sea, Journal of Marine System, 139: 217 - 226. http://dx.doi.org/10.1016/j.jmarsys.2014.06.007.

AdapChem

NASA Technical Reports Server (NTRS)

Oluwole, Oluwayemisi O.; Wong, Hsi-Wu; Green, William

2012-01-01

AdapChem software enables high efficiency, low computational cost, and enhanced accuracy on computational fluid dynamics (CFD) numerical simulations used for combustion studies. The software dynamically allocates smaller, reduced chemical models instead of the larger, full chemistry models to evolve the calculation while ensuring the same accuracy to be obtained for steady-state CFD reacting flow simulations. The software enables detailed chemical kinetic modeling in combustion CFD simulations. AdapChem adapts the reaction mechanism used in the CFD to the local reaction conditions. Instead of a single, comprehensive reaction mechanism throughout the computation, a dynamic distribution of smaller, reduced models is used to capture accurately the chemical kinetics at a fraction of the cost of the traditional single-mechanism approach.

Higher-order adaptive finite-element methods for Kohn–Sham density functional theory

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

Motamarri, P.; Nowak, M.R.; Leiter, K.

2013-11-15

We present an efficient computational approach to perform real-space electronic structure calculations using an adaptive higher-order finite-element discretization of Kohn–Sham density-functional theory (DFT). To this end, we develop an a priori mesh-adaption technique to construct a close to optimal finite-element discretization of the problem. We further propose an efficient solution strategy for solving the discrete eigenvalue problem by using spectral finite-elements in conjunction with Gauss–Lobatto quadrature, and a Chebyshev acceleration technique for computing the occupied eigenspace. The proposed approach has been observed to provide a staggering 100–200-fold computational advantage over the solution of a generalized eigenvalue problem. Using the proposedmore » solution procedure, we investigate the computational efficiency afforded by higher-order finite-element discretizations of the Kohn–Sham DFT problem. Our studies suggest that staggering computational savings—of the order of 1000-fold—relative to linear finite-elements can be realized, for both all-electron and local pseudopotential calculations, by using higher-order finite-element discretizations. On all the benchmark systems studied, we observe diminishing returns in computational savings beyond the sixth-order for accuracies commensurate with chemical accuracy, suggesting that the hexic spectral-element may be an optimal choice for the finite-element discretization of the Kohn–Sham DFT problem. A comparative study of the computational efficiency of the proposed higher-order finite-element discretizations suggests that the performance of finite-element basis is competing with the plane-wave discretization for non-periodic local pseudopotential calculations, and compares to the Gaussian basis for all-electron calculations to within an order of magnitude. Further, we demonstrate the capability of the proposed approach to compute the electronic structure of a metallic system containing 1688 atoms using modest computational resources, and good scalability of the present implementation up to 192 processors.« less

An efficient coordinate transformation technique for unsteady, transonic aerodynamic analysis of low aspect-ratio wings

NASA Technical Reports Server (NTRS)

Guruswamy, G. P.; Goorjian, P. M.

1984-01-01

An efficient coordinate transformation technique is presented for constructing grids for unsteady, transonic aerodynamic computations for delta-type wings. The original shearing transformation yielded computations that were numerically unstable and this paper discusses the sources of those instabilities. The new shearing transformation yields computations that are stable, fast, and accurate. Comparisons of those two methods are shown for the flow over the F5 wing that demonstrate the new stability. Also, comparisons are made with experimental data that demonstrate the accuracy of the new method. The computations were made by using a time-accurate, finite-difference, alternating-direction-implicit (ADI) algorithm for the transonic small-disturbance potential equation.

A community detection algorithm based on structural similarity

NASA Astrophysics Data System (ADS)

Guo, Xuchao; Hao, Xia; Liu, Yaqiong; Zhang, Li; Wang, Lu

2017-09-01

In order to further improve the efficiency and accuracy of community detection algorithm, a new algorithm named SSTCA (the community detection algorithm based on structural similarity with threshold) is proposed. In this algorithm, the structural similarities are taken as the weights of edges, and the threshold k is considered to remove multiple edges whose weights are less than the threshold, and improve the computational efficiency. Tests were done on the Zachary’s network, Dolphins’ social network and Football dataset by the proposed algorithm, and compared with GN and SSNCA algorithm. The results show that the new algorithm is superior to other algorithms in accuracy for the dense networks and the operating efficiency is improved obviously.

Approximate Analysis for Interlaminar Stresses in Composite Structures with Thickness Discontinuities

NASA Technical Reports Server (NTRS)

Rose, Cheryl A.; Starnes, James H., Jr.

1996-01-01

An efficient, approximate analysis for calculating complete three-dimensional stress fields near regions of geometric discontinuities in laminated composite structures is presented. An approximate three-dimensional local analysis is used to determine the detailed local response due to far-field stresses obtained from a global two-dimensional analysis. The stress results from the global analysis are used as traction boundary conditions for the local analysis. A generalized plane deformation assumption is made in the local analysis to reduce the solution domain to two dimensions. This assumption allows out-of-plane deformation to occur. The local analysis is based on the principle of minimum complementary energy and uses statically admissible stress functions that have an assumed through-the-thickness distribution. Examples are presented to illustrate the accuracy and computational efficiency of the local analysis. Comparisons of the results of the present local analysis with the corresponding results obtained from a finite element analysis and from an elasticity solution are presented. These results indicate that the present local analysis predicts the stress field accurately. Computer execution-times are also presented. The demonstrated accuracy and computational efficiency of the analysis make it well suited for parametric and design studies.

Efficient parallelization of analytic bond-order potentials for large-scale atomistic simulations

NASA Astrophysics Data System (ADS)

Teijeiro, C.; Hammerschmidt, T.; Drautz, R.; Sutmann, G.

2016-07-01

Analytic bond-order potentials (BOPs) provide a way to compute atomistic properties with controllable accuracy. For large-scale computations of heterogeneous compounds at the atomistic level, both the computational efficiency and memory demand of BOP implementations have to be optimized. Since the evaluation of BOPs is a local operation within a finite environment, the parallelization concepts known from short-range interacting particle simulations can be applied to improve the performance of these simulations. In this work, several efficient parallelization methods for BOPs that use three-dimensional domain decomposition schemes are described. The schemes are implemented into the bond-order potential code BOPfox, and their performance is measured in a series of benchmarks. Systems of up to several millions of atoms are simulated on a high performance computing system, and parallel scaling is demonstrated for up to thousands of processors.

Tempest - Efficient Computation of Atmospheric Flows Using High-Order Local Discretization Methods

NASA Astrophysics Data System (ADS)

Ullrich, P. A.; Guerra, J. E.

2014-12-01

The Tempest Framework composes several compact numerical methods to easily facilitate intercomparison of atmospheric flow calculations on the sphere and in rectangular domains. This framework includes the implementations of Spectral Elements, Discontinuous Galerkin, Flux Reconstruction, and Hybrid Finite Element methods with the goal of achieving optimal accuracy in the solution of atmospheric problems. Several advantages of this approach are discussed such as: improved pressure gradient calculation, numerical stability by vertical/horizontal splitting, arbitrary order of accuracy, etc. The local numerical discretization allows for high performance parallel computation and efficient inclusion of parameterizations. These techniques are used in conjunction with a non-conformal, locally refined, cubed-sphere grid for global simulations and standard Cartesian grids for simulations at the mesoscale. A complete implementation of the methods described is demonstrated in a non-hydrostatic setting.

Computerized Bone Age Estimation Using Deep Learning Based Program: Evaluation of the Accuracy and Efficiency.

PubMed

Kim, Jeong Rye; Shim, Woo Hyun; Yoon, Hee Mang; Hong, Sang Hyup; Lee, Jin Seong; Cho, Young Ah; Kim, Sangki

2017-12-01

The purpose of this study is to evaluate the accuracy and efficiency of a new automatic software system for bone age assessment and to validate its feasibility in clinical practice. A Greulich-Pyle method-based deep-learning technique was used to develop the automatic software system for bone age determination. Using this software, bone age was estimated from left-hand radiographs of 200 patients (3-17 years old) using first-rank bone age (software only), computer-assisted bone age (two radiologists with software assistance), and Greulich-Pyle atlas-assisted bone age (two radiologists with Greulich-Pyle atlas assistance only). The reference bone age was determined by the consensus of two experienced radiologists. First-rank bone ages determined by the automatic software system showed a 69.5% concordance rate and significant correlations with the reference bone age (r = 0.992; p < 0.001). Concordance rates increased with the use of the automatic software system for both reviewer 1 (63.0% for Greulich-Pyle atlas-assisted bone age vs 72.5% for computer-assisted bone age) and reviewer 2 (49.5% for Greulich-Pyle atlas-assisted bone age vs 57.5% for computer-assisted bone age). Reading times were reduced by 18.0% and 40.0% for reviewers 1 and 2, respectively. Automatic software system showed reliably accurate bone age estimations and appeared to enhance efficiency by reducing reading times without compromising the diagnostic accuracy.

Prediction of sound radiated from different practical jet engine inlets

NASA Technical Reports Server (NTRS)

Zinn, B. T.; Meyer, W. L.

1980-01-01

Existing computer codes for calculating the far field radiation patterns surrounding various practical jet engine inlet configurations under different excitation conditions were upgraded. The computer codes were refined and expanded so that they are now more efficient computationally by a factor of about three and they are now capable of producing accurate results up to nondimensional wave numbers of twenty. Computer programs were also developed to help generate accurate geometrical representations of the inlets to be investigated. This data is required as input for the computer programs which calculate the sound fields. This new geometry generating computer program considerably reduces the time required to generate the input data which was one of the most time consuming steps in the process. The results of sample runs using the NASA-Lewis QCSEE inlet are presented and comparison of run times and accuracy are made between the old and upgraded computer codes. The overall accuracy of the computations is determined by comparison of the results of the computations with simple source solutions.

Group-based variant calling leveraging next-generation supercomputing for large-scale whole-genome sequencing studies.

PubMed

Standish, Kristopher A; Carland, Tristan M; Lockwood, Glenn K; Pfeiffer, Wayne; Tatineni, Mahidhar; Huang, C Chris; Lamberth, Sarah; Cherkas, Yauheniya; Brodmerkel, Carrie; Jaeger, Ed; Smith, Lance; Rajagopal, Gunaretnam; Curran, Mark E; Schork, Nicholas J

2015-09-22

Next-generation sequencing (NGS) technologies have become much more efficient, allowing whole human genomes to be sequenced faster and cheaper than ever before. However, processing the raw sequence reads associated with NGS technologies requires care and sophistication in order to draw compelling inferences about phenotypic consequences of variation in human genomes. It has been shown that different approaches to variant calling from NGS data can lead to different conclusions. Ensuring appropriate accuracy and quality in variant calling can come at a computational cost. We describe our experience implementing and evaluating a group-based approach to calling variants on large numbers of whole human genomes. We explore the influence of many factors that may impact the accuracy and efficiency of group-based variant calling, including group size, the biogeographical backgrounds of the individuals who have been sequenced, and the computing environment used. We make efficient use of the Gordon supercomputer cluster at the San Diego Supercomputer Center by incorporating job-packing and parallelization considerations into our workflow while calling variants on 437 whole human genomes generated as part of large association study. We ultimately find that our workflow resulted in high-quality variant calls in a computationally efficient manner. We argue that studies like ours should motivate further investigations combining hardware-oriented advances in computing systems with algorithmic developments to tackle emerging 'big data' problems in biomedical research brought on by the expansion of NGS technologies.

Non-conforming finite-element formulation for cardiac electrophysiology: an effective approach to reduce the computation time of heart simulations without compromising accuracy

NASA Astrophysics Data System (ADS)

Hurtado, Daniel E.; Rojas, Guillermo

2018-04-01

Computer simulations constitute a powerful tool for studying the electrical activity of the human heart, but computational effort remains prohibitively high. In order to recover accurate conduction velocities and wavefront shapes, the mesh size in linear element (Q1) formulations cannot exceed 0.1 mm. Here we propose a novel non-conforming finite-element formulation for the non-linear cardiac electrophysiology problem that results in accurate wavefront shapes and lower mesh-dependance in the conduction velocity, while retaining the same number of global degrees of freedom as Q1 formulations. As a result, coarser discretizations of cardiac domains can be employed in simulations without significant loss of accuracy, thus reducing the overall computational effort. We demonstrate the applicability of our formulation in biventricular simulations using a coarse mesh size of ˜ 1 mm, and show that the activation wave pattern closely follows that obtained in fine-mesh simulations at a fraction of the computation time, thus improving the accuracy-efficiency trade-off of cardiac simulations.

A novel approach to multiple sequence alignment using hadoop data grids.

PubMed

Sudha Sadasivam, G; Baktavatchalam, G

2010-01-01

Multiple alignment of protein sequences helps to determine evolutionary linkage and to predict molecular structures. The factors to be considered while aligning multiple sequences are speed and accuracy of alignment. Although dynamic programming algorithms produce accurate alignments, they are computation intensive. In this paper we propose a time efficient approach to sequence alignment that also produces quality alignment. The dynamic nature of the algorithm coupled with data and computational parallelism of hadoop data grids improves the accuracy and speed of sequence alignment. The principle of block splitting in hadoop coupled with its scalability facilitates alignment of very large sequences.

Comparative analysis of numerical simulation techniques for incoherent imaging of extended objects through atmospheric turbulence

NASA Astrophysics Data System (ADS)

Lachinova, Svetlana L.; Vorontsov, Mikhail A.; Filimonov, Grigory A.; LeMaster, Daniel A.; Trippel, Matthew E.

2017-07-01

Computational efficiency and accuracy of wave-optics-based Monte-Carlo and brightness function numerical simulation techniques for incoherent imaging of extended objects through atmospheric turbulence are evaluated. Simulation results are compared with theoretical estimates based on known analytical solutions for the modulation transfer function of an imaging system and the long-exposure image of a Gaussian-shaped incoherent light source. It is shown that the accuracy of both techniques is comparable over the wide range of path lengths and atmospheric turbulence conditions, whereas the brightness function technique is advantageous in terms of the computational speed.

Real-time unconstrained object recognition: a processing pipeline based on the mammalian visual system.

PubMed

Aguilar, Mario; Peot, Mark A; Zhou, Jiangying; Simons, Stephen; Liao, Yuwei; Metwalli, Nader; Anderson, Mark B

2012-03-01

The mammalian visual system is still the gold standard for recognition accuracy, flexibility, efficiency, and speed. Ongoing advances in our understanding of function and mechanisms in the visual system can now be leveraged to pursue the design of computer vision architectures that will revolutionize the state of the art in computer vision.

Cloud-based preoperative planning for total hip arthroplasty: a study of accuracy, efficiency, and compliance.

PubMed

Maratt, Joseph D; Srinivasan, Ramesh C; Dahl, William J; Schilling, Peter L; Urquhart, Andrew G

2012-08-01

As digital radiography becomes more prevalent, several systems for digital preoperative planning have become available. The purpose of this study was to evaluate the accuracy and efficiency of an inexpensive, cloud-based digital templating system, which is comparable with acetate templating. However, cloud-based templating is substantially faster and more convenient than acetate templating or locally installed software. Although this is a practical solution for this particular medical application, regulatory changes are necessary before the tremendous advantages of cloud-based storage and computing can be realized in medical research and clinical practice. Copyright 2012, SLACK Incorporated.

Efficiency of analytical and sampling-based uncertainty propagation in intensity-modulated proton therapy

NASA Astrophysics Data System (ADS)

Wahl, N.; Hennig, P.; Wieser, H. P.; Bangert, M.

2017-07-01

The sensitivity of intensity-modulated proton therapy (IMPT) treatment plans to uncertainties can be quantified and mitigated with robust/min-max and stochastic/probabilistic treatment analysis and optimization techniques. Those methods usually rely on sparse random, importance, or worst-case sampling. Inevitably, this imposes a trade-off between computational speed and accuracy of the uncertainty propagation. Here, we investigate analytical probabilistic modeling (APM) as an alternative for uncertainty propagation and minimization in IMPT that does not rely on scenario sampling. APM propagates probability distributions over range and setup uncertainties via a Gaussian pencil-beam approximation into moments of the probability distributions over the resulting dose in closed form. It supports arbitrary correlation models and allows for efficient incorporation of fractionation effects regarding random and systematic errors. We evaluate the trade-off between run-time and accuracy of APM uncertainty computations on three patient datasets. Results are compared against reference computations facilitating importance and random sampling. Two approximation techniques to accelerate uncertainty propagation and minimization based on probabilistic treatment plan optimization are presented. Runtimes are measured on CPU and GPU platforms, dosimetric accuracy is quantified in comparison to a sampling-based benchmark (5000 random samples). APM accurately propagates range and setup uncertainties into dose uncertainties at competitive run-times (GPU ≤slant {5} min). The resulting standard deviation (expectation value) of dose show average global γ{3% / {3}~mm} pass rates between 94.2% and 99.9% (98.4% and 100.0%). All investigated importance sampling strategies provided less accuracy at higher run-times considering only a single fraction. Considering fractionation, APM uncertainty propagation and treatment plan optimization was proven to be possible at constant time complexity, while run-times of sampling-based computations are linear in the number of fractions. Using sum sampling within APM, uncertainty propagation can only be accelerated at the cost of reduced accuracy in variance calculations. For probabilistic plan optimization, we were able to approximate the necessary pre-computations within seconds, yielding treatment plans of similar quality as gained from exact uncertainty propagation. APM is suited to enhance the trade-off between speed and accuracy in uncertainty propagation and probabilistic treatment plan optimization, especially in the context of fractionation. This brings fully-fledged APM computations within reach of clinical application.

Efficiency of analytical and sampling-based uncertainty propagation in intensity-modulated proton therapy.

PubMed

Wahl, N; Hennig, P; Wieser, H P; Bangert, M

2017-06-26

The sensitivity of intensity-modulated proton therapy (IMPT) treatment plans to uncertainties can be quantified and mitigated with robust/min-max and stochastic/probabilistic treatment analysis and optimization techniques. Those methods usually rely on sparse random, importance, or worst-case sampling. Inevitably, this imposes a trade-off between computational speed and accuracy of the uncertainty propagation. Here, we investigate analytical probabilistic modeling (APM) as an alternative for uncertainty propagation and minimization in IMPT that does not rely on scenario sampling. APM propagates probability distributions over range and setup uncertainties via a Gaussian pencil-beam approximation into moments of the probability distributions over the resulting dose in closed form. It supports arbitrary correlation models and allows for efficient incorporation of fractionation effects regarding random and systematic errors. We evaluate the trade-off between run-time and accuracy of APM uncertainty computations on three patient datasets. Results are compared against reference computations facilitating importance and random sampling. Two approximation techniques to accelerate uncertainty propagation and minimization based on probabilistic treatment plan optimization are presented. Runtimes are measured on CPU and GPU platforms, dosimetric accuracy is quantified in comparison to a sampling-based benchmark (5000 random samples). APM accurately propagates range and setup uncertainties into dose uncertainties at competitive run-times (GPU [Formula: see text] min). The resulting standard deviation (expectation value) of dose show average global [Formula: see text] pass rates between 94.2% and 99.9% (98.4% and 100.0%). All investigated importance sampling strategies provided less accuracy at higher run-times considering only a single fraction. Considering fractionation, APM uncertainty propagation and treatment plan optimization was proven to be possible at constant time complexity, while run-times of sampling-based computations are linear in the number of fractions. Using sum sampling within APM, uncertainty propagation can only be accelerated at the cost of reduced accuracy in variance calculations. For probabilistic plan optimization, we were able to approximate the necessary pre-computations within seconds, yielding treatment plans of similar quality as gained from exact uncertainty propagation. APM is suited to enhance the trade-off between speed and accuracy in uncertainty propagation and probabilistic treatment plan optimization, especially in the context of fractionation. This brings fully-fledged APM computations within reach of clinical application.

Hidden Markov induced Dynamic Bayesian Network for recovering time evolving gene regulatory networks

NASA Astrophysics Data System (ADS)

Zhu, Shijia; Wang, Yadong

2015-12-01

Dynamic Bayesian Networks (DBN) have been widely used to recover gene regulatory relationships from time-series data in computational systems biology. Its standard assumption is ‘stationarity’, and therefore, several research efforts have been recently proposed to relax this restriction. However, those methods suffer from three challenges: long running time, low accuracy and reliance on parameter settings. To address these problems, we propose a novel non-stationary DBN model by extending each hidden node of Hidden Markov Model into a DBN (called HMDBN), which properly handles the underlying time-evolving networks. Correspondingly, an improved structural EM algorithm is proposed to learn the HMDBN. It dramatically reduces searching space, thereby substantially improving computational efficiency. Additionally, we derived a novel generalized Bayesian Information Criterion under the non-stationary assumption (called BWBIC), which can help significantly improve the reconstruction accuracy and largely reduce over-fitting. Moreover, the re-estimation formulas for all parameters of our model are derived, enabling us to avoid reliance on parameter settings. Compared to the state-of-the-art methods, the experimental evaluation of our proposed method on both synthetic and real biological data demonstrates more stably high prediction accuracy and significantly improved computation efficiency, even with no prior knowledge and parameter settings.

Fast dose kernel interpolation using Fourier transform with application to permanent prostate brachytherapy dosimetry.

PubMed

Liu, Derek; Sloboda, Ron S

2014-05-01

Boyer and Mok proposed a fast calculation method employing the Fourier transform (FT), for which calculation time is independent of the number of seeds but seed placement is restricted to calculation grid points. Here an interpolation method is described enabling unrestricted seed placement while preserving the computational efficiency of the original method. The Iodine-125 seed dose kernel was sampled and selected values were modified to optimize interpolation accuracy for clinically relevant doses. For each seed, the kernel was shifted to the nearest grid point via convolution with a unit impulse, implemented in the Fourier domain. The remaining fractional shift was performed using a piecewise third-order Lagrange filter. Implementation of the interpolation method greatly improved FT-based dose calculation accuracy. The dose distribution was accurate to within 2% beyond 3 mm from each seed. Isodose contours were indistinguishable from explicit TG-43 calculation. Dose-volume metric errors were negligible. Computation time for the FT interpolation method was essentially the same as Boyer's method. A FT interpolation method for permanent prostate brachytherapy TG-43 dose calculation was developed which expands upon Boyer's original method and enables unrestricted seed placement. The proposed method substantially improves the clinically relevant dose accuracy with negligible additional computation cost, preserving the efficiency of the original method.

The efficiency of geophysical adjoint codes generated by automatic differentiation tools

NASA Astrophysics Data System (ADS)

Vlasenko, A. V.; Köhl, A.; Stammer, D.

2016-02-01

The accuracy of numerical models that describe complex physical or chemical processes depends on the choice of model parameters. Estimating an optimal set of parameters by optimization algorithms requires knowledge of the sensitivity of the process of interest to model parameters. Typically the sensitivity computation involves differentiation of the model, which can be performed by applying algorithmic differentiation (AD) tools to the underlying numerical code. However, existing AD tools differ substantially in design, legibility and computational efficiency. In this study we show that, for geophysical data assimilation problems of varying complexity, the performance of adjoint codes generated by the existing AD tools (i) Open_AD, (ii) Tapenade, (iii) NAGWare and (iv) Transformation of Algorithms in Fortran (TAF) can be vastly different. Based on simple test problems, we evaluate the efficiency of each AD tool with respect to computational speed, accuracy of the adjoint, the efficiency of memory usage, and the capability of each AD tool to handle modern FORTRAN 90-95 elements such as structures and pointers, which are new elements that either combine groups of variables or provide aliases to memory addresses, respectively. We show that, while operator overloading tools are the only ones suitable for modern codes written in object-oriented programming languages, their computational efficiency lags behind source transformation by orders of magnitude, rendering the application of these modern tools to practical assimilation problems prohibitive. In contrast, the application of source transformation tools appears to be the most efficient choice, allowing handling even large geophysical data assimilation problems. However, they can only be applied to numerical models written in earlier generations of programming languages. Our study indicates that applying existing AD tools to realistic geophysical problems faces limitations that urgently need to be solved to allow the continuous use of AD tools for solving geophysical problems on modern computer architectures.

Multiscale Macromolecular Simulation: Role of Evolving Ensembles

PubMed Central

Singharoy, A.; Joshi, H.; Ortoleva, P.J.

2013-01-01

Multiscale analysis provides an algorithm for the efficient simulation of macromolecular assemblies. This algorithm involves the coevolution of a quasiequilibrium probability density of atomic configurations and the Langevin dynamics of spatial coarse-grained variables denoted order parameters (OPs) characterizing nanoscale system features. In practice, implementation of the probability density involves the generation of constant OP ensembles of atomic configurations. Such ensembles are used to construct thermal forces and diffusion factors that mediate the stochastic OP dynamics. Generation of all-atom ensembles at every Langevin timestep is computationally expensive. Here, multiscale computation for macromolecular systems is made more efficient by a method that self-consistently folds in ensembles of all-atom configurations constructed in an earlier step, history, of the Langevin evolution. This procedure accounts for the temporal evolution of these ensembles, accurately providing thermal forces and diffusions. It is shown that efficiency and accuracy of the OP-based simulations is increased via the integration of this historical information. Accuracy improves with the square root of the number of historical timesteps included in the calculation. As a result, CPU usage can be decreased by a factor of 3-8 without loss of accuracy. The algorithm is implemented into our existing force-field based multiscale simulation platform and demonstrated via the structural dynamics of viral capsomers. PMID:22978601

Determination of aerodynamic sensitivity coefficients based on the three-dimensional full potential equation

NASA Technical Reports Server (NTRS)

Elbanna, Hesham M.; Carlson, Leland A.

1992-01-01

The quasi-analytical approach is applied to the three-dimensional full potential equation to compute wing aerodynamic sensitivity coefficients in the transonic regime. Symbolic manipulation is used to reduce the effort associated with obtaining the sensitivity equations, and the large sensitivity system is solved using 'state of the art' routines. Results are compared to those obtained by the direct finite difference approach and both methods are evaluated to determine their computational accuracy and efficiency. The quasi-analytical approach is shown to be accurate and efficient for large aerodynamic systems.

Computational efficiency and Amdahl’s law for the adaptive resolution simulation technique

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

Junghans, Christoph; Agarwal, Animesh; Delle Site, Luigi

Here, we discuss the computational performance of the adaptive resolution technique in molecular simulation when it is compared with equivalent full coarse-grained and full atomistic simulations. We show that an estimate of its efficiency, within 10%–15% accuracy, is given by the Amdahl’s Law adapted to the specific quantities involved in the problem. The derivation of the predictive formula is general enough that it may be applied to the general case of molecular dynamics approaches where a reduction of degrees of freedom in a multi scale fashion occurs.

Computational efficiency and Amdahl’s law for the adaptive resolution simulation technique

DOE PAGES

Junghans, Christoph; Agarwal, Animesh; Delle Site, Luigi

2017-06-01

Here, we discuss the computational performance of the adaptive resolution technique in molecular simulation when it is compared with equivalent full coarse-grained and full atomistic simulations. We show that an estimate of its efficiency, within 10%–15% accuracy, is given by the Amdahl’s Law adapted to the specific quantities involved in the problem. The derivation of the predictive formula is general enough that it may be applied to the general case of molecular dynamics approaches where a reduction of degrees of freedom in a multi scale fashion occurs.

A computationally efficient ductile damage model accounting for nucleation and micro-inertia at high triaxialities

DOE PAGES

Versino, Daniele; Bronkhorst, Curt Allan

2018-01-31

The computational formulation of a micro-mechanical material model for the dynamic failure of ductile metals is presented in this paper. The statistical nature of porosity initiation is accounted for by introducing an arbitrary probability density function which describes the pores nucleation pressures. Each micropore within the representative volume element is modeled as a thick spherical shell made of plastically incompressible material. The treatment of porosity by a distribution of thick-walled spheres also allows for the inclusion of micro-inertia effects under conditions of shock and dynamic loading. The second order ordinary differential equation governing the microscopic porosity evolution is solved withmore » a robust implicit procedure. A new Chebyshev collocation method is employed to approximate the porosity distribution and remapping is used to optimize memory usage. The adaptive approximation of the porosity distribution leads to a reduction of computational time and memory usage of up to two orders of magnitude. Moreover, the proposed model affords consistent performance: changing the nucleation pressure probability density function and/or the applied strain rate does not reduce accuracy or computational efficiency of the material model. The numerical performance of the model and algorithms presented is tested against three problems for high density tantalum: single void, one-dimensional uniaxial strain, and two-dimensional plate impact. Here, the results using the integration and algorithmic advances suggest a significant improvement in computational efficiency and accuracy over previous treatments for dynamic loading conditions.« less

Convolutional networks for fast, energy-efficient neuromorphic computing

PubMed Central

Esser, Steven K.; Merolla, Paul A.; Arthur, John V.; Cassidy, Andrew S.; Appuswamy, Rathinakumar; Andreopoulos, Alexander; Berg, David J.; McKinstry, Jeffrey L.; Melano, Timothy; Barch, Davis R.; di Nolfo, Carmelo; Datta, Pallab; Amir, Arnon; Taba, Brian; Flickner, Myron D.; Modha, Dharmendra S.

2016-01-01

Deep networks are now able to achieve human-level performance on a broad spectrum of recognition tasks. Independently, neuromorphic computing has now demonstrated unprecedented energy-efficiency through a new chip architecture based on spiking neurons, low precision synapses, and a scalable communication network. Here, we demonstrate that neuromorphic computing, despite its novel architectural primitives, can implement deep convolution networks that (i) approach state-of-the-art classification accuracy across eight standard datasets encompassing vision and speech, (ii) perform inference while preserving the hardware’s underlying energy-efficiency and high throughput, running on the aforementioned datasets at between 1,200 and 2,600 frames/s and using between 25 and 275 mW (effectively >6,000 frames/s per Watt), and (iii) can be specified and trained using backpropagation with the same ease-of-use as contemporary deep learning. This approach allows the algorithmic power of deep learning to be merged with the efficiency of neuromorphic processors, bringing the promise of embedded, intelligent, brain-inspired computing one step closer. PMID:27651489

Convolutional networks for fast, energy-efficient neuromorphic computing.

PubMed

Esser, Steven K; Merolla, Paul A; Arthur, John V; Cassidy, Andrew S; Appuswamy, Rathinakumar; Andreopoulos, Alexander; Berg, David J; McKinstry, Jeffrey L; Melano, Timothy; Barch, Davis R; di Nolfo, Carmelo; Datta, Pallab; Amir, Arnon; Taba, Brian; Flickner, Myron D; Modha, Dharmendra S

2016-10-11

Deep networks are now able to achieve human-level performance on a broad spectrum of recognition tasks. Independently, neuromorphic computing has now demonstrated unprecedented energy-efficiency through a new chip architecture based on spiking neurons, low precision synapses, and a scalable communication network. Here, we demonstrate that neuromorphic computing, despite its novel architectural primitives, can implement deep convolution networks that (i) approach state-of-the-art classification accuracy across eight standard datasets encompassing vision and speech, (ii) perform inference while preserving the hardware's underlying energy-efficiency and high throughput, running on the aforementioned datasets at between 1,200 and 2,600 frames/s and using between 25 and 275 mW (effectively >6,000 frames/s per Watt), and (iii) can be specified and trained using backpropagation with the same ease-of-use as contemporary deep learning. This approach allows the algorithmic power of deep learning to be merged with the efficiency of neuromorphic processors, bringing the promise of embedded, intelligent, brain-inspired computing one step closer.

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

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

Park, S; Robinson, A; McNutt, T

2015-06-15

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

Efficiency and Accuracy in Thermal Simulation of Powder Bed Fusion of Bulk Metallic Glass

NASA Astrophysics Data System (ADS)

Lindwall, J.; Malmelöv, A.; Lundbäck, A.; Lindgren, L.-E.

2018-05-01

Additive manufacturing by powder bed fusion processes can be utilized to create bulk metallic glass as the process yields considerably high cooling rates. However, there is a risk that reheated material set in layers may become devitrified, i.e., crystallize. Therefore, it is advantageous to simulate the process to fully comprehend it and design it to avoid the aforementioned risk. However, a detailed simulation is computationally demanding. It is necessary to increase the computational speed while maintaining accuracy of the computed temperature field in critical regions. The current study evaluates a few approaches based on temporal reduction to achieve this. It is found that the evaluated approaches save a lot of time and accurately predict the temperature history.

Enabling fast, stable and accurate peridynamic computations using multi-time-step integration

DOE PAGES

Lindsay, P.; Parks, M. L.; Prakash, A.

2016-04-13

Peridynamics is a nonlocal extension of classical continuum mechanics that is well-suited for solving problems with discontinuities such as cracks. This paper extends the peridynamic formulation to decompose a problem domain into a number of smaller overlapping subdomains and to enable the use of different time steps in different subdomains. This approach allows regions of interest to be isolated and solved at a small time step for increased accuracy while the rest of the problem domain can be solved at a larger time step for greater computational efficiency. Lastly, performance of the proposed method in terms of stability, accuracy, andmore » computational cost is examined and several numerical examples are presented to corroborate the findings.« less

Efficient algorithms and implementations of entropy-based moment closures for rarefied gases

NASA Astrophysics Data System (ADS)

Schaerer, Roman Pascal; Bansal, Pratyuksh; Torrilhon, Manuel

2017-07-01

We present efficient algorithms and implementations of the 35-moment system equipped with the maximum-entropy closure in the context of rarefied gases. While closures based on the principle of entropy maximization have been shown to yield very promising results for moderately rarefied gas flows, the computational cost of these closures is in general much higher than for closure theories with explicit closed-form expressions of the closing fluxes, such as Grad's classical closure. Following a similar approach as Garrett et al. (2015) [13], we investigate efficient implementations of the computationally expensive numerical quadrature method used for the moment evaluations of the maximum-entropy distribution by exploiting its inherent fine-grained parallelism with the parallelism offered by multi-core processors and graphics cards. We show that using a single graphics card as an accelerator allows speed-ups of two orders of magnitude when compared to a serial CPU implementation. To accelerate the time-to-solution for steady-state problems, we propose a new semi-implicit time discretization scheme. The resulting nonlinear system of equations is solved with a Newton type method in the Lagrange multipliers of the dual optimization problem in order to reduce the computational cost. Additionally, fully explicit time-stepping schemes of first and second order accuracy are presented. We investigate the accuracy and efficiency of the numerical schemes for several numerical test cases, including a steady-state shock-structure problem.

Numerical algorithm comparison for the accurate and efficient computation of high-incidence vortical flow

NASA Technical Reports Server (NTRS)

Chaderjian, Neal M.

1991-01-01

Computations from two Navier-Stokes codes, NSS and F3D, are presented for a tangent-ogive-cylinder body at high angle of attack. Features of this steady flow include a pair of primary vortices on the leeward side of the body as well as secondary vortices. The topological and physical plausibility of this vortical structure is discussed. The accuracy of these codes are assessed by comparison of the numerical solutions with experimental data. The effects of turbulence model, numerical dissipation, and grid refinement are presented. The overall efficiency of these codes are also assessed by examining their convergence rates, computational time per time step, and maximum allowable time step for time-accurate computations. Overall, the numerical results from both codes compared equally well with experimental data, however, the NSS code was found to be significantly more efficient than the F3D code.

Image restoration for three-dimensional fluorescence microscopy using an orthonormal basis for efficient representation of depth-variant point-spread functions

PubMed Central

Patwary, Nurmohammed; Preza, Chrysanthe

2015-01-01

A depth-variant (DV) image restoration algorithm for wide field fluorescence microscopy, using an orthonormal basis decomposition of DV point-spread functions (PSFs), is investigated in this study. The efficient PSF representation is based on a previously developed principal component analysis (PCA), which is computationally intensive. We present an approach developed to reduce the number of DV PSFs required for the PCA computation, thereby making the PCA-based approach computationally tractable for thick samples. Restoration results from both synthetic and experimental images show consistency and that the proposed algorithm addresses efficiently depth-induced aberration using a small number of principal components. Comparison of the PCA-based algorithm with a previously-developed strata-based DV restoration algorithm demonstrates that the proposed method improves performance by 50% in terms of accuracy and simultaneously reduces the processing time by 64% using comparable computational resources. PMID:26504634

Fast Sparse Coding for Range Data Denoising with Sparse Ridges Constraint.

PubMed

Gao, Zhi; Lao, Mingjie; Sang, Yongsheng; Wen, Fei; Ramesh, Bharath; Zhai, Ruifang

2018-05-06

Light detection and ranging (LiDAR) sensors have been widely deployed on intelligent systems such as unmanned ground vehicles (UGVs) and unmanned aerial vehicles (UAVs) to perform localization, obstacle detection, and navigation tasks. Thus, research into range data processing with competitive performance in terms of both accuracy and efficiency has attracted increasing attention. Sparse coding has revolutionized signal processing and led to state-of-the-art performance in a variety of applications. However, dictionary learning, which plays the central role in sparse coding techniques, is computationally demanding, resulting in its limited applicability in real-time systems. In this study, we propose sparse coding algorithms with a fixed pre-learned ridge dictionary to realize range data denoising via leveraging the regularity of laser range measurements in man-made environments. Experiments on both synthesized data and real data demonstrate that our method obtains accuracy comparable to that of sophisticated sparse coding methods, but with much higher computational efficiency.

Inner Space Perturbation Theory in Matrix Product States: Replacing Expensive Iterative Diagonalization.

PubMed

Ren, Jiajun; Yi, Yuanping; Shuai, Zhigang

2016-10-11

We propose an inner space perturbation theory (isPT) to replace the expensive iterative diagonalization in the standard density matrix renormalization group theory (DMRG). The retained reduced density matrix eigenstates are partitioned into the active and secondary space. The first-order wave function and the second- and third-order energies are easily computed by using one step Davidson iteration. Our formulation has several advantages including (i) keeping a balance between the efficiency and accuracy, (ii) capturing more entanglement with the same amount of computational time, (iii) recovery of the standard DMRG when all the basis states belong to the active space. Numerical examples for the polyacenes and periacene show that the efficiency gain is considerable and the accuracy loss due to the perturbation treatment is very small, when half of the total basis states belong to the active space. Moreover, the perturbation calculations converge in all our numerical examples.

Probabilistic power flow using improved Monte Carlo simulation method with correlated wind sources

NASA Astrophysics Data System (ADS)

Bie, Pei; Zhang, Buhan; Li, Hang; Deng, Weisi; Wu, Jiasi

2017-01-01

Probabilistic Power Flow (PPF) is a very useful tool for power system steady-state analysis. However, the correlation among different random injection power (like wind power) brings great difficulties to calculate PPF. Monte Carlo simulation (MCS) and analytical methods are two commonly used methods to solve PPF. MCS has high accuracy but is very time consuming. Analytical method like cumulants method (CM) has high computing efficiency but the cumulants calculating is not convenient when wind power output does not obey any typical distribution, especially when correlated wind sources are considered. In this paper, an Improved Monte Carlo simulation method (IMCS) is proposed. The joint empirical distribution is applied to model different wind power output. This method combines the advantages of both MCS and analytical method. It not only has high computing efficiency, but also can provide solutions with enough accuracy, which is very suitable for on-line analysis.

Autonomous facial recognition system inspired by human visual system based logarithmical image visualization technique

NASA Astrophysics Data System (ADS)

Wan, Qianwen; Panetta, Karen; Agaian, Sos

2017-05-01

Autonomous facial recognition system is widely used in real-life applications, such as homeland border security, law enforcement identification and authentication, and video-based surveillance analysis. Issues like low image quality, non-uniform illumination as well as variations in poses and facial expressions can impair the performance of recognition systems. To address the non-uniform illumination challenge, we present a novel robust autonomous facial recognition system inspired by the human visual system based, so called, logarithmical image visualization technique. In this paper, the proposed method, for the first time, utilizes the logarithmical image visualization technique coupled with the local binary pattern to perform discriminative feature extraction for facial recognition system. The Yale database, the Yale-B database and the ATT database are used for computer simulation accuracy and efficiency testing. The extensive computer simulation demonstrates the method's efficiency, accuracy, and robustness of illumination invariance for facial recognition.

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.

Three-dimensional photoacoustic tomography based on graphics-processing-unit-accelerated finite element method.

PubMed

Peng, Kuan; He, Ling; Zhu, Ziqiang; Tang, Jingtian; Xiao, Jiaying

2013-12-01

Compared with commonly used analytical reconstruction methods, the frequency-domain finite element method (FEM) based approach has proven to be an accurate and flexible algorithm for photoacoustic tomography. However, the FEM-based algorithm is computationally demanding, especially for three-dimensional cases. To enhance the algorithm's efficiency, in this work a parallel computational strategy is implemented in the framework of the FEM-based reconstruction algorithm using a graphic-processing-unit parallel frame named the "compute unified device architecture." A series of simulation experiments is carried out to test the accuracy and accelerating effect of the improved method. The results obtained indicate that the parallel calculation does not change the accuracy of the reconstruction algorithm, while its computational cost is significantly reduced by a factor of 38.9 with a GTX 580 graphics card using the improved method.

Computational fluid dynamics research

NASA Technical Reports Server (NTRS)

Chandra, Suresh; Jones, Kenneth; Hassan, Hassan; Mcrae, David Scott

1992-01-01

The focus of research in the computational fluid dynamics (CFD) area is two fold: (1) to develop new approaches for turbulence modeling so that high speed compressible flows can be studied for applications to entry and re-entry flows; and (2) to perform research to improve CFD algorithm accuracy and efficiency for high speed flows. Research activities, faculty and student participation, publications, and financial information are outlined.

Exploiting Superconvergence in Discontinuous Galerkin Methods for Improved Time-Stepping and Visualization

DTIC Science & Technology

2016-09-08

Accuracy Conserving (SIAC) filter when applied to nonuniform meshes; 2) Theoretically and numerical demonstration of the 2k+1 order accuracy of the SIAC...Establishing a more theoretical and numerical understanding of a computationally efficient scaling for the SIAC filter for nonuniform meshes [7]; 2...Li, “SIAC Filtering of DG Methods – Boundary and Nonuniform Mesh”, International Conference on Spectral and Higher Order Methods (ICOSAHOM

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.

ParticleCall: A particle filter for base calling in next-generation sequencing systems

PubMed Central

2012-01-01

Background Next-generation sequencing systems are capable of rapid and cost-effective DNA sequencing, thus enabling routine sequencing tasks and taking us one step closer to personalized medicine. Accuracy and lengths of their reads, however, are yet to surpass those provided by the conventional Sanger sequencing method. This motivates the search for computationally efficient algorithms capable of reliable and accurate detection of the order of nucleotides in short DNA fragments from the acquired data. Results In this paper, we consider Illumina’s sequencing-by-synthesis platform which relies on reversible terminator chemistry and describe the acquired signal by reformulating its mathematical model as a Hidden Markov Model. Relying on this model and sequential Monte Carlo methods, we develop a parameter estimation and base calling scheme called ParticleCall. ParticleCall is tested on a data set obtained by sequencing phiX174 bacteriophage using Illumina’s Genome Analyzer II. The results show that the developed base calling scheme is significantly more computationally efficient than the best performing unsupervised method currently available, while achieving the same accuracy. Conclusions The proposed ParticleCall provides more accurate calls than the Illumina’s base calling algorithm, Bustard. At the same time, ParticleCall is significantly more computationally efficient than other recent schemes with similar performance, rendering it more feasible for high-throughput sequencing data analysis. Improvement of base calling accuracy will have immediate beneficial effects on the performance of downstream applications such as SNP and genotype calling. ParticleCall is freely available at https://sourceforge.net/projects/particlecall. PMID:22776067

Network Community Detection based on the Physarum-inspired Computational Framework.

PubMed

Gao, Chao; Liang, Mingxin; Li, Xianghua; Zhang, Zili; Wang, Zhen; Zhou, Zhili

2016-12-13

Community detection is a crucial and essential problem in the structure analytics of complex networks, which can help us understand and predict the characteristics and functions of complex networks. Many methods, ranging from the optimization-based algorithms to the heuristic-based algorithms, have been proposed for solving such a problem. Due to the inherent complexity of identifying network structure, how to design an effective algorithm with a higher accuracy and a lower computational cost still remains an open problem. Inspired by the computational capability and positive feedback mechanism in the wake of foraging process of Physarum, which is a large amoeba-like cell consisting of a dendritic network of tube-like pseudopodia, a general Physarum-based computational framework for community detection is proposed in this paper. Based on the proposed framework, the inter-community edges can be identified from the intra-community edges in a network and the positive feedback of solving process in an algorithm can be further enhanced, which are used to improve the efficiency of original optimization-based and heuristic-based community detection algorithms, respectively. Some typical algorithms (e.g., genetic algorithm, ant colony optimization algorithm, and Markov clustering algorithm) and real-world datasets have been used to estimate the efficiency of our proposed computational framework. Experiments show that the algorithms optimized by Physarum-inspired computational framework perform better than the original ones, in terms of accuracy and computational cost. Moreover, a computational complexity analysis verifies the scalability of our framework.

Discriminative Hierarchical K-Means Tree for Large-Scale Image Classification.

PubMed

Chen, Shizhi; Yang, Xiaodong; Tian, Yingli

2015-09-01

A key challenge in large-scale image classification is how to achieve efficiency in terms of both computation and memory without compromising classification accuracy. The learning-based classifiers achieve the state-of-the-art accuracies, but have been criticized for the computational complexity that grows linearly with the number of classes. The nonparametric nearest neighbor (NN)-based classifiers naturally handle large numbers of categories, but incur prohibitively expensive computation and memory costs. In this brief, we present a novel classification scheme, i.e., discriminative hierarchical K-means tree (D-HKTree), which combines the advantages of both learning-based and NN-based classifiers. The complexity of the D-HKTree only grows sublinearly with the number of categories, which is much better than the recent hierarchical support vector machines-based methods. The memory requirement is the order of magnitude less than the recent Naïve Bayesian NN-based approaches. The proposed D-HKTree classification scheme is evaluated on several challenging benchmark databases and achieves the state-of-the-art accuracies, while with significantly lower computation cost and memory requirement.

On improving the algorithm efficiency in the particle-particle force calculations

NASA Astrophysics Data System (ADS)

Kozynchenko, Alexander I.; Kozynchenko, Sergey A.

2016-09-01

The problem of calculating inter-particle forces in the particle-particle (PP) simulation models takes an important place in scientific computing. Such simulation models are used in diverse scientific applications arising in astrophysics, plasma physics, particle accelerators, etc., where the long-range forces are considered. The inverse-square laws such as Coulomb's law of electrostatic forces and Newton's law of universal gravitation are the examples of laws pertaining to the long-range forces. The standard naïve PP method outlined, for example, by Hockney and Eastwood [1] is straightforward, processing all pairs of particles in a double nested loop. The PP algorithm provides the best accuracy of all possible methods, but its computational complexity is O (Np2), where Np is a total number of particles involved. Too low efficiency of the PP algorithm seems to be the challenging issue in some cases where the high accuracy is required. An example can be taken from the charged particle beam dynamics where, under computing the own space charge of the beam, so-called macro-particles are used (see e.g., Humphries Jr. [2], Kozynchenko and Svistunov [3]).

An efficient and accurate framework for calculating lattice thermal conductivity of solids: AFLOW—AAPL Automatic Anharmonic Phonon Library

NASA Astrophysics Data System (ADS)

Plata, Jose J.; Nath, Pinku; Usanmaz, Demet; Carrete, Jesús; Toher, Cormac; de Jong, Maarten; Asta, Mark; Fornari, Marco; Nardelli, Marco Buongiorno; Curtarolo, Stefano

2017-10-01

One of the most accurate approaches for calculating lattice thermal conductivity, , is solving the Boltzmann transport equation starting from third-order anharmonic force constants. In addition to the underlying approximations of ab-initio parameterization, two main challenges are associated with this path: high computational costs and lack of automation in the frameworks using this methodology, which affect the discovery rate of novel materials with ad-hoc properties. Here, the Automatic Anharmonic Phonon Library (AAPL) is presented. It efficiently computes interatomic force constants by making effective use of crystal symmetry analysis, it solves the Boltzmann transport equation to obtain , and allows a fully integrated operation with minimum user intervention, a rational addition to the current high-throughput accelerated materials development framework AFLOW. An "experiment vs. theory" study of the approach is shown, comparing accuracy and speed with respect to other available packages, and for materials characterized by strong electron localization and correlation. Combining AAPL with the pseudo-hybrid functional ACBN0 is possible to improve accuracy without increasing computational requirements.

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-Dimensional Electronic Spectroscopy of Benzene, Phenol, and Their Dimer: An Efficient First-Principles Simulation Protocol.

PubMed

Nenov, Artur; Mukamel, Shaul; Garavelli, Marco; Rivalta, Ivan

2015-08-11

First-principles simulations of two-dimensional electronic spectroscopy in the ultraviolet region (2DUV) require computationally demanding multiconfigurational approaches that can resolve doubly excited and charge transfer states, the spectroscopic fingerprints of coupled UV-active chromophores. Here, we propose an efficient approach to reduce the computational cost of accurate simulations of 2DUV spectra of benzene, phenol, and their dimer (i.e., the minimal models for studying electronic coupling of UV-chromophores in proteins). We first establish the multiconfigurational recipe with the highest accuracy by comparison with experimental data, providing reference gas-phase transition energies and dipole moments that can be used to construct exciton Hamiltonians involving high-lying excited states. We show that by reducing the active spaces and the number of configuration state functions within restricted active space schemes, the computational cost can be significantly decreased without loss of accuracy in predicting 2DUV spectra. The proposed recipe has been successfully tested on a realistic model proteic system in water. Accounting for line broadening due to thermal and solvent-induced fluctuations allows for direct comparison with experiments.

An efficient algorithm for generating random number pairs drawn from a bivariate normal distribution

NASA Technical Reports Server (NTRS)

Campbell, C. W.

1983-01-01

An efficient algorithm for generating random number pairs from a bivariate normal distribution was developed. Any desired value of the two means, two standard deviations, and correlation coefficient can be selected. Theoretically the technique is exact and in practice its accuracy is limited only by the quality of the uniform distribution random number generator, inaccuracies in computer function evaluation, and arithmetic. A FORTRAN routine was written to check the algorithm and good accuracy was obtained. Some small errors in the correlation coefficient were observed to vary in a surprisingly regular manner. A simple model was developed which explained the qualities aspects of the errors.

Efficient and Robust Optimization for Building Energy Simulation

PubMed Central

Pourarian, Shokouh; Kearsley, Anthony; Wen, Jin; Pertzborn, Amanda

2016-01-01

Efficiently, robustly and accurately solving large sets of structured, non-linear algebraic and differential equations is one of the most computationally expensive steps in the dynamic simulation of building energy systems. Here, the efficiency, robustness and accuracy of two commonly employed solution methods are compared. The comparison is conducted using the HVACSIM+ software package, a component based building system simulation tool. The HVACSIM+ software presently employs Powell’s Hybrid method to solve systems of nonlinear algebraic equations that model the dynamics of energy states and interactions within buildings. It is shown here that the Powell’s method does not always converge to a solution. Since a myriad of other numerical methods are available, the question arises as to which method is most appropriate for building energy simulation. This paper finds considerable computational benefits result from replacing the Powell’s Hybrid method solver in HVACSIM+ with a solver more appropriate for the challenges particular to numerical simulations of buildings. Evidence is provided that a variant of the Levenberg-Marquardt solver has superior accuracy and robustness compared to the Powell’s Hybrid method presently used in HVACSIM+. PMID:27325907

Efficient and Robust Optimization for Building Energy Simulation.

PubMed

Pourarian, Shokouh; Kearsley, Anthony; Wen, Jin; Pertzborn, Amanda

2016-06-15

Efficiently, robustly and accurately solving large sets of structured, non-linear algebraic and differential equations is one of the most computationally expensive steps in the dynamic simulation of building energy systems. Here, the efficiency, robustness and accuracy of two commonly employed solution methods are compared. The comparison is conducted using the HVACSIM+ software package, a component based building system simulation tool. The HVACSIM+ software presently employs Powell's Hybrid method to solve systems of nonlinear algebraic equations that model the dynamics of energy states and interactions within buildings. It is shown here that the Powell's method does not always converge to a solution. Since a myriad of other numerical methods are available, the question arises as to which method is most appropriate for building energy simulation. This paper finds considerable computational benefits result from replacing the Powell's Hybrid method solver in HVACSIM+ with a solver more appropriate for the challenges particular to numerical simulations of buildings. Evidence is provided that a variant of the Levenberg-Marquardt solver has superior accuracy and robustness compared to the Powell's Hybrid method presently used in HVACSIM+.

Towards a Highly Efficient Meshfree Simulation of Non-Newtonian Free Surface Ice Flow: Application to the Haut Glacier d'Arolla

NASA Astrophysics Data System (ADS)

Shcherbakov, V.; Ahlkrona, J.

2016-12-01

In this work we develop a highly efficient meshfree approach to ice sheet modeling. Traditionally mesh based methods such as finite element methods are employed to simulate glacier and ice sheet dynamics. These methods are mature and well developed. However, despite of numerous advantages these methods suffer from some drawbacks such as necessity to remesh the computational domain every time it changes its shape, which significantly complicates the implementation on moving domains, or a costly assembly procedure for nonlinear problems. We introduce a novel meshfree approach that frees us from all these issues. The approach is built upon a radial basis function (RBF) method that, thanks to its meshfree nature, allows for an efficient handling of moving margins and free ice surface. RBF methods are also accurate and easy to implement. Since the formulation is stated in strong form it allows for a substantial reduction of the computational cost associated with the linear system assembly inside the nonlinear solver. We implement a global RBF method that defines an approximation on the entire computational domain. This method exhibits high accuracy properties. However, it suffers from a disadvantage that the coefficient matrix is dense, and therefore the computational efficiency decreases. In order to overcome this issue we also implement a localized RBF method that rests upon a partition of unity approach to subdivide the domain into several smaller subdomains. The radial basis function partition of unity method (RBF-PUM) inherits high approximation characteristics form the global RBF method while resulting in a sparse system of equations, which essentially increases the computational efficiency. To demonstrate the usefulness of the RBF methods we model the velocity field of ice flow in the Haut Glacier d'Arolla. We assume that the flow is governed by the nonlinear Blatter-Pattyn equations. We test the methods for different basal conditions and for a free moving surface. Both RBF methods are compared with a classical finite element method in terms of accuracy and efficiency. We find that the RBF methods are more efficient than the finite element method and well suited for ice dynamics modeling, especially the partition of unity approach.

Sub-domain methods for collaborative electromagnetic computations

NASA Astrophysics Data System (ADS)

Soudais, Paul; Barka, André

2006-06-01

In this article, we describe a sub-domain method for electromagnetic computations based on boundary element method. The benefits of the sub-domain method are that the computation can be split between several companies for collaborative studies; also the computation time can be reduced by one or more orders of magnitude especially in the context of parametric studies. The accuracy and efficiency of this technique is assessed by RCS computations on an aircraft air intake with duct and rotating engine mock-up called CHANNEL. Collaborative results, obtained by combining two sets of sub-domains computed by two companies, are compared with measurements on the CHANNEL mock-up. The comparisons are made for several angular positions of the engine to show the benefits of the method for parametric studies. We also discuss the accuracy of two formulations of the sub-domain connecting scheme using edge based or modal field expansion. To cite this article: P. Soudais, A. Barka, C. R. Physique 7 (2006).

Efficient use of unlabeled data for protein sequence classification: a comparative study.

PubMed

Kuksa, Pavel; Huang, Pai-Hsi; Pavlovic, Vladimir

2009-04-29

Recent studies in computational primary protein sequence analysis have leveraged the power of unlabeled data. For example, predictive models based on string kernels trained on sequences known to belong to particular folds or superfamilies, the so-called labeled data set, can attain significantly improved accuracy if this data is supplemented with protein sequences that lack any class tags-the unlabeled data. In this study, we present a principled and biologically motivated computational framework that more effectively exploits the unlabeled data by only using the sequence regions that are more likely to be biologically relevant for better prediction accuracy. As overly-represented sequences in large uncurated databases may bias the estimation of computational models that rely on unlabeled data, we also propose a method to remove this bias and improve performance of the resulting classifiers. Combined with state-of-the-art string kernels, our proposed computational framework achieves very accurate semi-supervised protein remote fold and homology detection on three large unlabeled databases. It outperforms current state-of-the-art methods and exhibits significant reduction in running time. The unlabeled sequences used under the semi-supervised setting resemble the unpolished gemstones; when used as-is, they may carry unnecessary features and hence compromise the classification accuracy but once cut and polished, they improve the accuracy of the classifiers considerably.

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.

Interplanetary Trajectories, Encke Method (ITEM)

NASA Technical Reports Server (NTRS)

Whitlock, F. H.; Wolfe, H.; Lefton, L.; Levine, N.

1972-01-01

Modified program has been developed using improved variation of Encke method which avoids accumulation of round-off errors and avoids numerical ambiguities arising from near-circular orbits of low inclination. Variety of interplanetary trajectory problems can be computed with maximum accuracy and efficiency.

Remote sensing image ship target detection method based on visual attention model

NASA Astrophysics Data System (ADS)

Sun, Yuejiao; Lei, Wuhu; Ren, Xiaodong

2017-11-01

The traditional methods of detecting ship targets in remote sensing images mostly use sliding window to search the whole image comprehensively. However, the target usually occupies only a small fraction of the image. This method has high computational complexity for large format visible image data. The bottom-up selective attention mechanism can selectively allocate computing resources according to visual stimuli, thus improving the computational efficiency and reducing the difficulty of analysis. Considering of that, a method of ship target detection in remote sensing images based on visual attention model was proposed in this paper. The experimental results show that the proposed method can reduce the computational complexity while improving the detection accuracy, and improve the detection efficiency of ship targets in remote sensing images.

Exponential Methods for the Time Integration of Schroedinger Equation

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

Cano, B.; Gonzalez-Pachon, A.

2010-09-30

We consider exponential methods of second order in time in order to integrate the cubic nonlinear Schroedinger equation. We are interested in taking profit of the special structure of this equation. Therefore, we look at symmetry, symplecticity and approximation of invariants of the proposed methods. That will allow to integrate till long times with reasonable accuracy. Computational efficiency is also our aim. Therefore, we make numerical computations in order to compare the methods considered and so as to conclude that explicit Lawson schemes projected on the norm of the solution are an efficient tool to integrate this equation.

Set of Criteria for Efficiency of the Process Forming the Answers to Multiple-Choice Test Items

ERIC Educational Resources Information Center

Rybanov, Alexander Aleksandrovich

2013-01-01

Is offered the set of criteria for assessing efficiency of the process forming the answers to multiple-choice test items. To increase accuracy of computer-assisted testing results, it is suggested to assess dynamics of the process of forming the final answer using the following factors: loss of time factor and correct choice factor. The model…

Efficient alignment-free DNA barcode analytics.

PubMed

Kuksa, Pavel; Pavlovic, Vladimir

2009-11-10

In this work we consider barcode DNA analysis problems and address them using alternative, alignment-free methods and representations which model sequences as collections of short sequence fragments (features). The methods use fixed-length representations (spectrum) for barcode sequences to measure similarities or dissimilarities between sequences coming from the same or different species. The spectrum-based representation not only allows for accurate and computationally efficient species classification, but also opens possibility for accurate clustering analysis of putative species barcodes and identification of critical within-barcode loci distinguishing barcodes of different sample groups. New alignment-free methods provide highly accurate and fast DNA barcode-based identification and classification of species with substantial improvements in accuracy and speed over state-of-the-art barcode analysis methods. We evaluate our methods on problems of species classification and identification using barcodes, important and relevant analytical tasks in many practical applications (adverse species movement monitoring, sampling surveys for unknown or pathogenic species identification, biodiversity assessment, etc.) On several benchmark barcode datasets, including ACG, Astraptes, Hesperiidae, Fish larvae, and Birds of North America, proposed alignment-free methods considerably improve prediction accuracy compared to prior results. We also observe significant running time improvements over the state-of-the-art methods. Our results show that newly developed alignment-free methods for DNA barcoding can efficiently and with high accuracy identify specimens by examining only few barcode features, resulting in increased scalability and interpretability of current computational approaches to barcoding.

Power Series Approximation for the Correlation Kernel Leading to Kohn-Sham Methods Combining Accuracy, Computational Efficiency, and General Applicability

NASA Astrophysics Data System (ADS)

Erhard, Jannis; Bleiziffer, Patrick; Görling, Andreas

2016-09-01

A power series approximation for the correlation kernel of time-dependent density-functional theory is presented. Using this approximation in the adiabatic-connection fluctuation-dissipation (ACFD) theorem leads to a new family of Kohn-Sham methods. The new methods yield reaction energies and barriers of unprecedented accuracy and enable a treatment of static (strong) correlation with an accuracy of high-level multireference configuration interaction methods but are single-reference methods allowing for a black-box-like handling of static correlation. The new methods exhibit a better scaling of the computational effort with the system size than rivaling wave-function-based electronic structure methods. Moreover, the new methods do not suffer from the problem of singularities in response functions plaguing previous ACFD methods and therefore are applicable to any type of electronic system.

Approximate Computing Techniques for Iterative Graph Algorithms

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

Panyala, Ajay R.; Subasi, Omer; Halappanavar, Mahantesh

Approximate computing enables processing of large-scale graphs by trading off quality for performance. Approximate computing techniques have become critical not only due to the emergence of parallel architectures but also the availability of large scale datasets enabling data-driven discovery. Using two prototypical graph algorithms, PageRank and community detection, we present several approximate computing heuristics to scale the performance with minimal loss of accuracy. We present several heuristics including loop perforation, data caching, incomplete graph coloring and synchronization, and evaluate their efficiency. We demonstrate performance improvements of up to 83% for PageRank and up to 450x for community detection, with lowmore » impact of accuracy for both the algorithms. We expect the proposed approximate techniques will enable scalable graph analytics on data of importance to several applications in science and their subsequent adoption to scale similar graph algorithms.« less

Efficient genetic algorithms using discretization scheduling.

PubMed

McLay, Laura A; Goldberg, David E

2005-01-01

In many applications of genetic algorithms, there is a tradeoff between speed and accuracy in fitness evaluations when evaluations use numerical methods with varying discretization. In these types of applications, the cost and accuracy vary from discretization errors when implicit or explicit quadrature is used to estimate the function evaluations. This paper examines discretization scheduling, or how to vary the discretization within the genetic algorithm in order to use the least amount of computation time for a solution of a desired quality. The effectiveness of discretization scheduling can be determined by comparing its computation time to the computation time of a GA using a constant discretization. There are three ingredients for the discretization scheduling: population sizing, estimated time for each function evaluation and predicted convergence time analysis. Idealized one- and two-dimensional experiments and an inverse groundwater application illustrate the computational savings to be achieved from using discretization scheduling.

Thermodynamics of Computational Copying in Biochemical Systems

NASA Astrophysics Data System (ADS)

Ouldridge, Thomas E.; Govern, Christopher C.; ten Wolde, Pieter Rein

2017-04-01

Living cells use readout molecules to record the state of receptor proteins, similar to measurements or copies in typical computational devices. But is this analogy rigorous? Can cells be optimally efficient, and if not, why? We show that, as in computation, a canonical biochemical readout network generates correlations; extracting no work from these correlations sets a lower bound on dissipation. For general input, the biochemical network cannot reach this bound, even with arbitrarily slow reactions or weak thermodynamic driving. It faces an accuracy-dissipation trade-off that is qualitatively distinct from and worse than implied by the bound, and more complex steady-state copy processes cannot perform better. Nonetheless, the cost remains close to the thermodynamic bound unless accuracy is extremely high. Additionally, we show that biomolecular reactions could be used in thermodynamically optimal devices under exogenous manipulation of chemical fuels, suggesting an experimental system for testing computational thermodynamics.

Comprehensive automatic assessment of retinal vascular abnormalities for computer-assisted retinopathy grading.

PubMed

Joshi, Vinayak; Agurto, Carla; VanNess, Richard; Nemeth, Sheila; Soliz, Peter; Barriga, Simon

2014-01-01

One of the most important signs of systemic disease that presents on the retina is vascular abnormalities such as in hypertensive retinopathy. Manual analysis of fundus images by human readers is qualitative and lacks in accuracy, consistency and repeatability. Present semi-automatic methods for vascular evaluation are reported to increase accuracy and reduce reader variability, but require extensive reader interaction; thus limiting the software-aided efficiency. Automation thus holds a twofold promise. First, decrease variability while increasing accuracy, and second, increasing the efficiency. In this paper we propose fully automated software as a second reader system for comprehensive assessment of retinal vasculature; which aids the readers in the quantitative characterization of vessel abnormalities in fundus images. This system provides the reader with objective measures of vascular morphology such as tortuosity, branching angles, as well as highlights of areas with abnormalities such as artery-venous nicking, copper and silver wiring, and retinal emboli; in order for the reader to make a final screening decision. To test the efficacy of our system, we evaluated the change in performance of a newly certified retinal reader when grading a set of 40 color fundus images with and without the assistance of the software. The results demonstrated an improvement in reader's performance with the software assistance, in terms of accuracy of detection of vessel abnormalities, determination of retinopathy, and reading time. This system enables the reader in making computer-assisted vasculature assessment with high accuracy and consistency, at a reduced reading time.

Filters for Improvement of Multiscale Data from Atomistic Simulations

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

Gardner, David J.; Reynolds, Daniel R.

Multiscale computational models strive to produce accurate and efficient numerical simulations of systems involving interactions across multiple spatial and temporal scales that typically differ by several orders of magnitude. Some such models utilize a hybrid continuum-atomistic approach combining continuum approximations with first-principles-based atomistic models to capture multiscale behavior. By following the heterogeneous multiscale method framework for developing multiscale computational models, unknown continuum scale data can be computed from an atomistic model. Concurrently coupling the two models requires performing numerous atomistic simulations which can dominate the computational cost of the method. Furthermore, when the resulting continuum data is noisy due tomore » sampling error, stochasticity in the model, or randomness in the initial conditions, filtering can result in significant accuracy gains in the computed multiscale data without increasing the size or duration of the atomistic simulations. In this work, we demonstrate the effectiveness of spectral filtering for increasing the accuracy of noisy multiscale data obtained from atomistic simulations. Moreover, we present a robust and automatic method for closely approximating the optimum level of filtering in the case of additive white noise. By improving the accuracy of this filtered simulation data, it leads to a dramatic computational savings by allowing for shorter and smaller atomistic simulations to achieve the same desired multiscale simulation precision.« less

Filters for Improvement of Multiscale Data from Atomistic Simulations

DOE PAGES

Gardner, David J.; Reynolds, Daniel R.

2017-01-05

Multiscale computational models strive to produce accurate and efficient numerical simulations of systems involving interactions across multiple spatial and temporal scales that typically differ by several orders of magnitude. Some such models utilize a hybrid continuum-atomistic approach combining continuum approximations with first-principles-based atomistic models to capture multiscale behavior. By following the heterogeneous multiscale method framework for developing multiscale computational models, unknown continuum scale data can be computed from an atomistic model. Concurrently coupling the two models requires performing numerous atomistic simulations which can dominate the computational cost of the method. Furthermore, when the resulting continuum data is noisy due tomore » sampling error, stochasticity in the model, or randomness in the initial conditions, filtering can result in significant accuracy gains in the computed multiscale data without increasing the size or duration of the atomistic simulations. In this work, we demonstrate the effectiveness of spectral filtering for increasing the accuracy of noisy multiscale data obtained from atomistic simulations. Moreover, we present a robust and automatic method for closely approximating the optimum level of filtering in the case of additive white noise. By improving the accuracy of this filtered simulation data, it leads to a dramatic computational savings by allowing for shorter and smaller atomistic simulations to achieve the same desired multiscale simulation precision.« less

Technique for Very High Order Nonlinear Simulation and Validation

NASA Technical Reports Server (NTRS)

Dyson, Rodger W.

2001-01-01

Finding the sources of sound in large nonlinear fields via direct simulation currently requires excessive computational cost. This paper describes a simple technique for efficiently solving the multidimensional nonlinear Euler equations that significantly reduces this cost and demonstrates a useful approach for validating high order nonlinear methods. Up to 15th order accuracy in space and time methods were compared and it is shown that an algorithm with a fixed design accuracy approaches its maximal utility and then its usefulness exponentially decays unless higher accuracy is used. It is concluded that at least a 7th order method is required to efficiently propagate a harmonic wave using the nonlinear Euler equations to a distance of 5 wavelengths while maintaining an overall error tolerance that is low enough to capture both the mean flow and the acoustics.

Distributed collaborative response surface method for mechanical dynamic assembly reliability design

NASA Astrophysics Data System (ADS)

Bai, Guangchen; Fei, Chengwei

2013-11-01

Because of the randomness of many impact factors influencing the dynamic assembly relationship of complex machinery, the reliability analysis of dynamic assembly relationship needs to be accomplished considering the randomness from a probabilistic perspective. To improve the accuracy and efficiency of dynamic assembly relationship reliability analysis, the mechanical dynamic assembly reliability(MDAR) theory and a distributed collaborative response surface method(DCRSM) are proposed. The mathematic model of DCRSM is established based on the quadratic response surface function, and verified by the assembly relationship reliability analysis of aeroengine high pressure turbine(HPT) blade-tip radial running clearance(BTRRC). Through the comparison of the DCRSM, traditional response surface method(RSM) and Monte Carlo Method(MCM), the results show that the DCRSM is not able to accomplish the computational task which is impossible for the other methods when the number of simulation is more than 100 000 times, but also the computational precision for the DCRSM is basically consistent with the MCM and improved by 0.40˜4.63% to the RSM, furthermore, the computational efficiency of DCRSM is up to about 188 times of the MCM and 55 times of the RSM under 10000 times simulations. The DCRSM is demonstrated to be a feasible and effective approach for markedly improving the computational efficiency and accuracy of MDAR analysis. Thus, the proposed research provides the promising theory and method for the MDAR design and optimization, and opens a novel research direction of probabilistic analysis for developing the high-performance and high-reliability of aeroengine.

Recurrent neural network based virtual detection line

NASA Astrophysics Data System (ADS)

Kadikis, Roberts

2018-04-01

The paper proposes an efficient method for detection of moving objects in the video. The objects are detected when they cross a virtual detection line. Only the pixels of the detection line are processed, which makes the method computationally efficient. A Recurrent Neural Network processes these pixels. The machine learning approach allows one to train a model that works in different and changing outdoor conditions. Also, the same network can be trained for various detection tasks, which is demonstrated by the tests on vehicle and people counting. In addition, the paper proposes a method for semi-automatic acquisition of labeled training data. The labeling method is used to create training and testing datasets, which in turn are used to train and evaluate the accuracy and efficiency of the detection method. The method shows similar accuracy as the alternative efficient methods but provides greater adaptability and usability for different tasks.

Adaptive time stepping for fluid-structure interaction solvers

DOE PAGES

Mayr, M.; Wall, W. A.; Gee, M. W.

2017-12-22

In this work, a novel adaptive time stepping scheme for fluid-structure interaction (FSI) problems is proposed that allows for controlling the accuracy of the time-discrete solution. Furthermore, it eases practical computations by providing an efficient and very robust time step size selection. This has proven to be very useful, especially when addressing new physical problems, where no educated guess for an appropriate time step size is available. The fluid and the structure field, but also the fluid-structure interface are taken into account for the purpose of a posteriori error estimation, rendering it easy to implement and only adding negligible additionalmore » cost. The adaptive time stepping scheme is incorporated into a monolithic solution framework, but can straightforwardly be applied to partitioned solvers as well. The basic idea can be extended to the coupling of an arbitrary number of physical models. Accuracy and efficiency of the proposed method are studied in a variety of numerical examples ranging from academic benchmark tests to complex biomedical applications like the pulsatile blood flow through an abdominal aortic aneurysm. Finally, the demonstrated accuracy of the time-discrete solution in combination with reduced computational cost make this algorithm very appealing in all kinds of FSI applications.« less

Adaptive time stepping for fluid-structure interaction solvers

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

Mayr, M.; Wall, W. A.; Gee, M. W.

In this work, a novel adaptive time stepping scheme for fluid-structure interaction (FSI) problems is proposed that allows for controlling the accuracy of the time-discrete solution. Furthermore, it eases practical computations by providing an efficient and very robust time step size selection. This has proven to be very useful, especially when addressing new physical problems, where no educated guess for an appropriate time step size is available. The fluid and the structure field, but also the fluid-structure interface are taken into account for the purpose of a posteriori error estimation, rendering it easy to implement and only adding negligible additionalmore » cost. The adaptive time stepping scheme is incorporated into a monolithic solution framework, but can straightforwardly be applied to partitioned solvers as well. The basic idea can be extended to the coupling of an arbitrary number of physical models. Accuracy and efficiency of the proposed method are studied in a variety of numerical examples ranging from academic benchmark tests to complex biomedical applications like the pulsatile blood flow through an abdominal aortic aneurysm. Finally, the demonstrated accuracy of the time-discrete solution in combination with reduced computational cost make this algorithm very appealing in all kinds of FSI applications.« less

Efficient algorithms and implementations of entropy-based moment closures for rarefied gases

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

Schaerer, Roman Pascal, E-mail: schaerer@mathcces.rwth-aachen.de; Bansal, Pratyuksh; Torrilhon, Manuel

We present efficient algorithms and implementations of the 35-moment system equipped with the maximum-entropy closure in the context of rarefied gases. While closures based on the principle of entropy maximization have been shown to yield very promising results for moderately rarefied gas flows, the computational cost of these closures is in general much higher than for closure theories with explicit closed-form expressions of the closing fluxes, such as Grad's classical closure. Following a similar approach as Garrett et al. (2015) , we investigate efficient implementations of the computationally expensive numerical quadrature method used for the moment evaluations of the maximum-entropymore » distribution by exploiting its inherent fine-grained parallelism with the parallelism offered by multi-core processors and graphics cards. We show that using a single graphics card as an accelerator allows speed-ups of two orders of magnitude when compared to a serial CPU implementation. To accelerate the time-to-solution for steady-state problems, we propose a new semi-implicit time discretization scheme. The resulting nonlinear system of equations is solved with a Newton type method in the Lagrange multipliers of the dual optimization problem in order to reduce the computational cost. Additionally, fully explicit time-stepping schemes of first and second order accuracy are presented. We investigate the accuracy and efficiency of the numerical schemes for several numerical test cases, including a steady-state shock-structure problem.« less

Magnetic potential, vector and gradient tensor fields of a tesseroid in a geocentric spherical coordinate system

NASA Astrophysics Data System (ADS)

Du, Jinsong; Chen, Chao; Lesur, Vincent; Lane, Richard; Wang, Huilin

2015-06-01

We examined the mathematical and computational aspects of the magnetic potential, vector and gradient tensor fields of a tesseroid in a geocentric spherical coordinate system (SCS). This work is relevant for 3-D modelling that is performed with lithospheric vertical scales and global, continent or large regional horizontal scales. The curvature of the Earth is significant at these scales and hence, a SCS is more appropriate than the usual Cartesian coordinate system (CCS). The 3-D arrays of spherical prisms (SP; `tesseroids') can be used to model the response of volumes with variable magnetic properties. Analytical solutions do not exist for these model elements and numerical or mixed numerical and analytical solutions must be employed. We compared various methods for calculating the response in terms of accuracy and computational efficiency. The methods were (1) the spherical coordinate magnetic dipole method (MD), (2) variants of the 3-D Gauss-Legendre quadrature integration method (3-D GLQI) with (i) different numbers of nodes in each of the three directions, and (ii) models where we subdivided each SP into a number of smaller tesseroid volume elements, (3) a procedure that we term revised Gauss-Legendre quadrature integration (3-D RGLQI) where the magnetization direction which is constant in a SCS is assumed to be constant in a CCS and equal to the direction at the geometric centre of each tesseroid, (4) the Taylor's series expansion method (TSE) and (5) the rectangular prism method (RP). In any realistic application, both the accuracy and the computational efficiency factors must be considered to determine the optimum approach to employ. In all instances, accuracy improves with increasing distance from the source. It is higher in the percentage terms for potential than the vector or tensor response. The tensor errors are the largest, but they decrease more quickly with distance from the source. In our comparisons of relative computational efficiency, we found that the magnetic potential takes less time to compute than the vector response, which in turn takes less time to compute than the tensor gradient response. The MD method takes less time to compute than either the TSE or RP methods. The efficiency of the (GLQI and) RGLQI methods depends on the polynomial order, but the response typically takes longer to compute than it does for the other methods. The optimum method is a complex function of the desired accuracy, the size of the volume elements, the element latitude and the distance between the source and the observation. For a model of global extent with typical model element size (e.g. 1 degree horizontally and 10 km radially) and observations at altitudes of 10s to 100s of km, a mixture of methods based on the horizontal separation of the source and observation separation would be the optimum approach. To demonstrate the RGLQI method described within this paper, we applied it to the computation of the response for a global magnetization model for observations at 300 and 30 km altitude.

Quality indexing with computer-aided lexicography

NASA Technical Reports Server (NTRS)

Buchan, Ronald L.

1992-01-01

Indexing with computers is a far cry from indexing with the first indexing tool, the manual card sorter. With the aid of computer-aided lexicography, both indexing and indexing tools can provide standardization, consistency, and accuracy, resulting in greater quality control than ever before. A brief survey of computer activity in indexing is presented with detailed illustrations from NASA activity. Applications from techniques mentioned, such as Retrospective Indexing (RI), can be made to many indexing systems. In addition to improving the quality of indexing with computers, the improved efficiency with which certain tasks can be done is demonstrated.

Reuse of imputed data in microarray analysis increases imputation efficiency

PubMed Central

Kim, Ki-Yeol; Kim, Byoung-Jin; Yi, Gwan-Su

2004-01-01

Background The imputation of missing values is necessary for the efficient use of DNA microarray data, because many clustering algorithms and some statistical analysis require a complete data set. A few imputation methods for DNA microarray data have been introduced, but the efficiency of the methods was low and the validity of imputed values in these methods had not been fully checked. Results We developed a new cluster-based imputation method called sequential K-nearest neighbor (SKNN) method. This imputes the missing values sequentially from the gene having least missing values, and uses the imputed values for the later imputation. Although it uses the imputed values, the efficiency of this new method is greatly improved in its accuracy and computational complexity over the conventional KNN-based method and other methods based on maximum likelihood estimation. The performance of SKNN was in particular higher than other imputation methods for the data with high missing rates and large number of experiments. Application of Expectation Maximization (EM) to the SKNN method improved the accuracy, but increased computational time proportional to the number of iterations. The Multiple Imputation (MI) method, which is well known but not applied previously to microarray data, showed a similarly high accuracy as the SKNN method, with slightly higher dependency on the types of data sets. Conclusions Sequential reuse of imputed data in KNN-based imputation greatly increases the efficiency of imputation. The SKNN method should be practically useful to save the data of some microarray experiments which have high amounts of missing entries. The SKNN method generates reliable imputed values which can be used for further cluster-based analysis of microarray data. PMID:15504240

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.

Multi-fidelity stochastic collocation method for computation of statistical moments

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

Zhu, Xueyu, E-mail: xueyu-zhu@uiowa.edu; Linebarger, Erin M., E-mail: aerinline@sci.utah.edu; Xiu, Dongbin, E-mail: xiu.16@osu.edu

We present an efficient numerical algorithm to approximate the statistical moments of stochastic problems, in the presence of models with different fidelities. The method extends the multi-fidelity approximation method developed in . By combining the efficiency of low-fidelity models and the accuracy of high-fidelity models, our method exhibits fast convergence with a limited number of high-fidelity simulations. We establish an error bound of the method and present several numerical examples to demonstrate the efficiency and applicability of the multi-fidelity algorithm.

Influence of simulation parameters on the speed and accuracy of Monte Carlo calculations using PENEPMA

NASA Astrophysics Data System (ADS)

Llovet, X.; Salvat, F.

2018-01-01

The accuracy of Monte Carlo simulations of EPMA measurements is primarily determined by that of the adopted interaction models and atomic relaxation data. The code PENEPMA implements the most reliable general models available, and it is known to provide a realistic description of electron transport and X-ray emission. Nonetheless, efficiency (i.e., the simulation speed) of the code is determined by a number of simulation parameters that define the details of the electron tracking algorithm, which may also have an effect on the accuracy of the results. In addition, to reduce the computer time needed to obtain X-ray spectra with a given statistical accuracy, PENEPMA allows the use of several variance-reduction techniques, defined by a set of specific parameters. In this communication we analyse and discuss the effect of using different values of the simulation and variance-reduction parameters on the speed and accuracy of EPMA simulations. We also discuss the effectiveness of using multi-core computers along with a simple practical strategy implemented in PENEPMA.

A high-accuracy optical linear algebra processor for finite element applications

NASA Technical Reports Server (NTRS)

Casasent, D.; Taylor, B. K.

1984-01-01

Optical linear processors are computationally efficient computers for solving matrix-matrix and matrix-vector oriented problems. Optical system errors limit their dynamic range to 30-40 dB, which limits their accuray to 9-12 bits. Large problems, such as the finite element problem in structural mechanics (with tens or hundreds of thousands of variables) which can exploit the speed of optical processors, require the 32 bit accuracy obtainable from digital machines. To obtain this required 32 bit accuracy with an optical processor, the data can be digitally encoded, thereby reducing the dynamic range requirements of the optical system (i.e., decreasing the effect of optical errors on the data) while providing increased accuracy. This report describes a new digitally encoded optical linear algebra processor architecture for solving finite element and banded matrix-vector problems. A linear static plate bending case study is described which quantities the processor requirements. Multiplication by digital convolution is explained, and the digitally encoded optical processor architecture is advanced.

Generalized Centroid Estimators in Bioinformatics

PubMed Central

Hamada, Michiaki; Kiryu, Hisanori; Iwasaki, Wataru; Asai, Kiyoshi

2011-01-01

In a number of estimation problems in bioinformatics, accuracy measures of the target problem are usually given, and it is important to design estimators that are suitable to those accuracy measures. However, there is often a discrepancy between an employed estimator and a given accuracy measure of the problem. In this study, we introduce a general class of efficient estimators for estimation problems on high-dimensional binary spaces, which represent many fundamental problems in bioinformatics. Theoretical analysis reveals that the proposed estimators generally fit with commonly-used accuracy measures (e.g. sensitivity, PPV, MCC and F-score) as well as it can be computed efficiently in many cases, and cover a wide range of problems in bioinformatics from the viewpoint of the principle of maximum expected accuracy (MEA). It is also shown that some important algorithms in bioinformatics can be interpreted in a unified manner. Not only the concept presented in this paper gives a useful framework to design MEA-based estimators but also it is highly extendable and sheds new light on many problems in bioinformatics. PMID:21365017

Addressing the challenges of standalone multi-core simulations in molecular dynamics

NASA Astrophysics Data System (ADS)

Ocaya, R. O.; Terblans, J. J.

2017-07-01

Computational modelling in material science involves mathematical abstractions of force fields between particles with the aim to postulate, develop and understand materials by simulation. The aggregated pairwise interactions of the material's particles lead to a deduction of its macroscopic behaviours. For practically meaningful macroscopic scales, a large amount of data are generated, leading to vast execution times. Simulation times of hours, days or weeks for moderately sized problems are not uncommon. The reduction of simulation times, improved result accuracy and the associated software and hardware engineering challenges are the main motivations for many of the ongoing researches in the computational sciences. This contribution is concerned mainly with simulations that can be done on a "standalone" computer based on Message Passing Interfaces (MPI), parallel code running on hardware platforms with wide specifications, such as single/multi- processor, multi-core machines with minimal reconfiguration for upward scaling of computational power. The widely available, documented and standardized MPI library provides this functionality through the MPI_Comm_size (), MPI_Comm_rank () and MPI_Reduce () functions. A survey of the literature shows that relatively little is written with respect to the efficient extraction of the inherent computational power in a cluster. In this work, we discuss the main avenues available to tap into this extra power without compromising computational accuracy. We also present methods to overcome the high inertia encountered in single-node-based computational molecular dynamics. We begin by surveying the current state of the art and discuss what it takes to achieve parallelism, efficiency and enhanced computational accuracy through program threads and message passing interfaces. Several code illustrations are given. The pros and cons of writing raw code as opposed to using heuristic, third-party code are also discussed. The growing trend towards graphical processor units and virtual computing clouds for high-performance computing is also discussed. Finally, we present the comparative results of vacancy formation energy calculations using our own parallelized standalone code called Verlet-Stormer velocity (VSV) operating on 30,000 copper atoms. The code is based on the Sutton-Chen implementation of the Finnis-Sinclair pairwise embedded atom potential. A link to the code is also given.

Parallel goal-oriented adaptive finite element modeling for 3D electromagnetic exploration

NASA Astrophysics Data System (ADS)

Zhang, Y.; Key, K.; Ovall, J.; Holst, M.

2014-12-01

We present a parallel goal-oriented adaptive finite element method for accurate and efficient electromagnetic (EM) modeling of complex 3D structures. An unstructured tetrahedral mesh allows this approach to accommodate arbitrarily complex 3D conductivity variations and a priori known boundaries. The total electric field is approximated by the lowest order linear curl-conforming shape functions and the discretized finite element equations are solved by a sparse LU factorization. Accuracy of the finite element solution is achieved through adaptive mesh refinement that is performed iteratively until the solution converges to the desired accuracy tolerance. Refinement is guided by a goal-oriented error estimator that uses a dual-weighted residual method to optimize the mesh for accurate EM responses at the locations of the EM receivers. As a result, the mesh refinement is highly efficient since it only targets the elements where the inaccuracy of the solution corrupts the response at the possibly distant locations of the EM receivers. We compare the accuracy and efficiency of two approaches for estimating the primary residual error required at the core of this method: one uses local element and inter-element residuals and the other relies on solving a global residual system using a hierarchical basis. For computational efficiency our method follows the Bank-Holst algorithm for parallelization, where solutions are computed in subdomains of the original model. To resolve the load-balancing problem, this approach applies a spectral bisection method to divide the entire model into subdomains that have approximately equal error and the same number of receivers. The finite element solutions are then computed in parallel with each subdomain carrying out goal-oriented adaptive mesh refinement independently. We validate the newly developed algorithm by comparison with controlled-source EM solutions for 1D layered models and with 2D results from our earlier 2D goal oriented adaptive refinement code named MARE2DEM. We demonstrate the performance and parallel scaling of this algorithm on a medium-scale computing cluster with a marine controlled-source EM example that includes a 3D array of receivers located over a 3D model that includes significant seafloor bathymetry variations and a heterogeneous subsurface.

A lightweight QRS detector for single lead ECG signals using a max-min difference algorithm.

PubMed

Pandit, Diptangshu; Zhang, Li; Liu, Chengyu; Chattopadhyay, Samiran; Aslam, Nauman; Lim, Chee Peng

2017-06-01

Detection of the R-peak pertaining to the QRS complex of an ECG signal plays an important role for the diagnosis of a patient's heart condition. To accurately identify the QRS locations from the acquired raw ECG signals, we need to handle a number of challenges, which include noise, baseline wander, varying peak amplitudes, and signal abnormality. This research aims to address these challenges by developing an efficient lightweight algorithm for QRS (i.e., R-peak) detection from raw ECG signals. A lightweight real-time sliding window-based Max-Min Difference (MMD) algorithm for QRS detection from Lead II ECG signals is proposed. Targeting to achieve the best trade-off between computational efficiency and detection accuracy, the proposed algorithm consists of five key steps for QRS detection, namely, baseline correction, MMD curve generation, dynamic threshold computation, R-peak detection, and error correction. Five annotated databases from Physionet are used for evaluating the proposed algorithm in R-peak detection. Integrated with a feature extraction technique and a neural network classifier, the proposed ORS detection algorithm has also been extended to undertake normal and abnormal heartbeat detection from ECG signals. The proposed algorithm exhibits a high degree of robustness in QRS detection and achieves an average sensitivity of 99.62% and an average positive predictivity of 99.67%. Its performance compares favorably with those from the existing state-of-the-art models reported in the literature. In regards to normal and abnormal heartbeat detection, the proposed QRS detection algorithm in combination with the feature extraction technique and neural network classifier achieves an overall accuracy rate of 93.44% based on an empirical evaluation using the MIT-BIH Arrhythmia data set with 10-fold cross validation. In comparison with other related studies, the proposed algorithm offers a lightweight adaptive alternative for R-peak detection with good computational efficiency. The empirical results indicate that it not only yields a high accuracy rate in QRS detection, but also exhibits efficient computational complexity at the order of O(n), where n is the length of an ECG signal. Copyright © 2017 Elsevier B.V. All rights reserved.

SVM classifier on chip for melanoma detection.

PubMed

Afifi, Shereen; GholamHosseini, Hamid; Sinha, Roopak

2017-07-01

Support Vector Machine (SVM) is a common classifier used for efficient classification with high accuracy. SVM shows high accuracy for classifying melanoma (skin cancer) clinical images within computer-aided diagnosis systems used by skin cancer specialists to detect melanoma early and save lives. We aim to develop a medical low-cost handheld device that runs a real-time embedded SVM-based diagnosis system for use in primary care for early detection of melanoma. In this paper, an optimized SVM classifier is implemented onto a recent FPGA platform using the latest design methodology to be embedded into the proposed device for realizing online efficient melanoma detection on a single system on chip/device. The hardware implementation results demonstrate a high classification accuracy of 97.9% and a significant acceleration factor of 26 from equivalent software implementation on an embedded processor, with 34% of resources utilization and 2 watts for power consumption. Consequently, the implemented system meets crucial embedded systems constraints of high performance and low cost, resources utilization and power consumption, while achieving high classification accuracy.

Evaluation of autofocus measures for microscopy images of biopsy and cytology

NASA Astrophysics Data System (ADS)

Redondo, R.; Bueno, M. G.; Valdiviezo, J. C.; Nava, R.; Cristóbal, G.; García, M.; Déniz, O.; Escalante-Ramírez, B.

2011-08-01

An essential and indispensable component of automated microscopy is the automatic focusing system, which determines the in-focus position of a given field of view by searching for the maximal of an autofocus function over a range of z-axis positions. The autofocus function and its computation time are crucial to the accuracy and efficiency of the system. In this paper, we analyze and evaluate fifteen autofocus algorithms for biopsy and cytology microscopy images, ranging from the already well known methods to those proposed recently. Results have shown that there is a trade-off between computational cost and accuracy. Finally, the error committed by each of the algorithms is presented.

Valuation of exotic options in the framework of Levy processes

NASA Astrophysics Data System (ADS)

Milev, Mariyan; Georgieva, Svetla; Markovska, Veneta

2013-12-01

In this paper we explore a straightforward procedure to price derivatives by using the Monte Carlo approach when the underlying process is a jump-diffusion. We have compared the Black-Scholes model with one of its extensions that is the Merton model. The latter model is better in capturing the market's phenomena and is comparative to stochastic volatility models in terms of pricing accuracy. We have presented simulations of asset paths and pricing of barrier options for both Geometric Brownian motion and exponential Levy processes as it is the concrete case of the Merton model. A desired level of accuracy is obtained with simple computer operations in MATLAB for efficient computational time.

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.

Remembrance of inferences past: Amortization in human hypothesis generation.

PubMed

Dasgupta, Ishita; Schulz, Eric; Goodman, Noah D; Gershman, Samuel J

2018-05-21

Bayesian models of cognition assume that people compute probability distributions over hypotheses. However, the required computations are frequently intractable or prohibitively expensive. Since people often encounter many closely related distributions, selective reuse of computations (amortized inference) is a computationally efficient use of the brain's limited resources. We present three experiments that provide evidence for amortization in human probabilistic reasoning. When sequentially answering two related queries about natural scenes, participants' responses to the second query systematically depend on the structure of the first query. This influence is sensitive to the content of the queries, only appearing when the queries are related. Using a cognitive load manipulation, we find evidence that people amortize summary statistics of previous inferences, rather than storing the entire distribution. These findings support the view that the brain trades off accuracy and computational cost, to make efficient use of its limited cognitive resources to approximate probabilistic inference. Copyright © 2018 Elsevier B.V. All rights reserved.

Tertiary structure-based analysis of microRNA–target interactions

PubMed Central

Gan, Hin Hark; Gunsalus, Kristin C.

2013-01-01

Current computational analysis of microRNA interactions is based largely on primary and secondary structure analysis. Computationally efficient tertiary structure-based methods are needed to enable more realistic modeling of the molecular interactions underlying miRNA-mediated translational repression. We incorporate algorithms for predicting duplex RNA structures, ionic strength effects, duplex entropy and free energy, and docking of duplex–Argonaute protein complexes into a pipeline to model and predict miRNA–target duplex binding energies. To ensure modeling accuracy and computational efficiency, we use an all-atom description of RNA and a continuum description of ionic interactions using the Poisson–Boltzmann equation. Our method predicts the conformations of two constructs of Caenorhabditis elegans let-7 miRNA–target duplexes to an accuracy of ∼3.8 Å root mean square distance of their NMR structures. We also show that the computed duplex formation enthalpies, entropies, and free energies for eight miRNA–target duplexes agree with titration calorimetry data. Analysis of duplex–Argonaute docking shows that structural distortions arising from single-base-pair mismatches in the seed region influence the activity of the complex by destabilizing both duplex hybridization and its association with Argonaute. Collectively, these results demonstrate that tertiary structure-based modeling of miRNA interactions can reveal structural mechanisms not accessible with current secondary structure-based methods. PMID:23417009

Sensitivity analysis and approximation methods for general eigenvalue problems

NASA Technical Reports Server (NTRS)

Murthy, D. V.; Haftka, R. T.

1986-01-01

Optimization of dynamic systems involving complex non-hermitian matrices is often computationally expensive. Major contributors to the computational expense are the sensitivity analysis and reanalysis of a modified design. The present work seeks to alleviate this computational burden by identifying efficient sensitivity analysis and approximate reanalysis methods. For the algebraic eigenvalue problem involving non-hermitian matrices, algorithms for sensitivity analysis and approximate reanalysis are classified, compared and evaluated for efficiency and accuracy. Proper eigenvector normalization is discussed. An improved method for calculating derivatives of eigenvectors is proposed based on a more rational normalization condition and taking advantage of matrix sparsity. Important numerical aspects of this method are also discussed. To alleviate the problem of reanalysis, various approximation methods for eigenvalues are proposed and evaluated. Linear and quadratic approximations are based directly on the Taylor series. Several approximation methods are developed based on the generalized Rayleigh quotient for the eigenvalue problem. Approximation methods based on trace theorem give high accuracy without needing any derivatives. Operation counts for the computation of the approximations are given. General recommendations are made for the selection of appropriate approximation technique as a function of the matrix size, number of design variables, number of eigenvalues of interest and the number of design points at which approximation is sought.

On the generalized VIP time integral methodology for transient thermal problems

NASA Technical Reports Server (NTRS)

Mei, Youping; Chen, Xiaoqin; Tamma, Kumar K.; Sha, Desong

1993-01-01

The paper describes the development and applicability of a generalized VIrtual-Pulse (VIP) time integral method of computation for thermal problems. Unlike past approaches for general heat transfer computations, and with the advent of high speed computing technology and the importance of parallel computations for efficient use of computing environments, a major motivation via the developments described in this paper is the need for developing explicit computational procedures with improved accuracy and stability characteristics. As a consequence, a new and effective VIP methodology is described which inherits these improved characteristics. Numerical illustrative examples are provided to demonstrate the developments and validate the results obtained for thermal problems.

Homo Heuristicus: Less-is-More Effects in Adaptive Cognition

PubMed Central

Brighton, Henry; Gigerenzer, Gerd

2012-01-01

Heuristics are efficient cognitive processes that ignore information. In contrast to the widely held view that less processing reduces accuracy, the study of heuristics shows that less information, computation, and time can in fact improve accuracy. We discuss some of the major progress made so far, focusing on the discovery of less-is-more effects and the study of the ecological rationality of heuristics which examines in which environments a given strategy succeeds or fails, and why. Homo heuristicus has a biased mind and ignores part of the available information, yet a biased mind can handle uncertainty more efficiently and robustly than an unbiased mind relying on more resource-intensive and general-purpose processing strategies. PMID:23613644

Demonstration Of Ultra HI-FI (UHF) Methods

NASA Technical Reports Server (NTRS)

Dyson, Rodger W.

2004-01-01

Computational aero-acoustics (CAA) requires efficient, high-resolution simulation tools. Most current techniques utilize finite-difference approaches because high order accuracy is considered too difficult or expensive to achieve with finite volume or finite element methods. However, a novel finite volume approach (Ultra HI-FI or UHF) which utilizes Hermite fluxes is presented which can achieve both arbitrary accuracy and fidelity in space and time. The technique can be applied to unstructured grids with some loss of fidelity or with multi-block structured grids for maximum efficiency and resolution. In either paradigm, it is possible to resolve ultra-short waves (less than 2 PPW). This is demonstrated here by solving the 4th CAA workshop Category 1 Problem 1.

Numerical Algorithms for Precise and Efficient Orbit Propagation and Positioning

NASA Astrophysics Data System (ADS)

Bradley, Ben K.

Motivated by the growing space catalog and the demands for precise orbit determination with shorter latency for science and reconnaissance missions, this research improves the computational performance of orbit propagation through more efficient and precise numerical integration and frame transformation implementations. Propagation of satellite orbits is required for astrodynamics applications including mission design, orbit determination in support of operations and payload data analysis, and conjunction assessment. Each of these applications has somewhat different requirements in terms of accuracy, precision, latency, and computational load. This dissertation develops procedures to achieve various levels of accuracy while minimizing computational cost for diverse orbit determination applications. This is done by addressing two aspects of orbit determination: (1) numerical integration used for orbit propagation and (2) precise frame transformations necessary for force model evaluation and station coordinate rotations. This dissertation describes a recently developed method for numerical integration, dubbed Bandlimited Collocation Implicit Runge-Kutta (BLC-IRK), and compare its efficiency in propagating orbits to existing techniques commonly used in astrodynamics. The BLC-IRK scheme uses generalized Gaussian quadratures for bandlimited functions. It requires significantly fewer force function evaluations than explicit Runge-Kutta schemes and approaches the efficiency of the 8th-order Gauss-Jackson multistep method. Converting between the Geocentric Celestial Reference System (GCRS) and International Terrestrial Reference System (ITRS) is necessary for many applications in astrodynamics, such as orbit propagation, orbit determination, and analyzing geoscience data from satellite missions. This dissertation provides simplifications to the Celestial Intermediate Origin (CIO) transformation scheme and Earth orientation parameter (EOP) storage for use in positioning and orbit propagation, yielding savings in computation time and memory. Orbit propagation and position transformation simulations are analyzed to generate a complete set of recommendations for performing the ITRS/GCRS transformation for a wide range of needs, encompassing real-time on-board satellite operations and precise post-processing applications. In addition, a complete derivation of the ITRS/GCRS frame transformation time-derivative is detailed for use in velocity transformations between the GCRS and ITRS and is applied to orbit propagation in the rotating ITRS. EOP interpolation methods and ocean tide corrections are shown to impact the ITRS/GCRS transformation accuracy at the level of 5 cm and 20 cm on the surface of the Earth and at the Global Positioning System (GPS) altitude, respectively. The precession-nutation and EOP simplifications yield maximum propagation errors of approximately 2 cm and 1 m after 15 minutes and 6 hours in low-Earth orbit (LEO), respectively, while reducing computation time and memory usage. Finally, for orbit propagation in the ITRS, a simplified scheme is demonstrated that yields propagation errors under 5 cm after 15 minutes in LEO. This approach is beneficial for orbit determination based on GPS measurements. We conclude with a summary of recommendations on EOP usage and bias-precession-nutation implementations for achieving a wide range of transformation and propagation accuracies at several altitudes. This comprehensive set of recommendations allows satellite operators, astrodynamicists, and scientists to make informed decisions when choosing the best implementation for their application, balancing accuracy and computational complexity.

On the Use of Electrooculogram for Efficient Human Computer Interfaces

PubMed Central

Usakli, A. B.; Gurkan, S.; Aloise, F.; Vecchiato, G.; Babiloni, F.

2010-01-01

The aim of this study is to present electrooculogram signals that can be used for human computer interface efficiently. Establishing an efficient alternative channel for communication without overt speech and hand movements is important to increase the quality of life for patients suffering from Amyotrophic Lateral Sclerosis or other illnesses that prevent correct limb and facial muscular responses. We have made several experiments to compare the P300-based BCI speller and EOG-based new system. A five-letter word can be written on average in 25 seconds and in 105 seconds with the EEG-based device. Giving message such as “clean-up” could be performed in 3 seconds with the new system. The new system is more efficient than P300-based BCI system in terms of accuracy, speed, applicability, and cost efficiency. Using EOG signals, it is possible to improve the communication abilities of those patients who can move their eyes. PMID:19841687

Balancing accuracy, efficiency, and flexibility in a radiative transfer parameterization for dynamical models

NASA Astrophysics Data System (ADS)

Pincus, R.; Mlawer, E. J.

2017-12-01

Radiation is key process in numerical models of the atmosphere. The problem is well-understood and the parameterization of radiation has seen relatively few conceptual advances in the past 15 years. It is nonthelss often the single most expensive component of all physical parameterizations despite being computed less frequently than other terms. This combination of cost and maturity suggests value in a single radiation parameterization that could be shared across models; devoting effort to a single parameterization might allow for fine tuning for efficiency. The challenge lies in the coupling of this parameterization to many disparate representations of clouds and aerosols. This talk will describe RRTMGP, a new radiation parameterization that seeks to balance efficiency and flexibility. This balance is struck by isolating computational tasks in "kernels" that expose as much fine-grained parallelism as possible. These have simple interfaces and are interoperable across programming languages so that they might be repalced by alternative implementations in domain-specific langauges. Coupling to the host model makes use of object-oriented features of Fortran 2003, minimizing branching within the kernels and the amount of data that must be transferred. We will show accuracy and efficiency results for a globally-representative set of atmospheric profiles using a relatively high-resolution spectral discretization.

Fast and high-order numerical algorithms for the solution of multidimensional nonlinear fractional Ginzburg-Landau equation

NASA Astrophysics Data System (ADS)

Mohebbi, Akbar

2018-02-01

In this paper we propose two fast and accurate numerical methods for the solution of multidimensional space fractional Ginzburg-Landau equation (FGLE). In the presented methods, to avoid solving a nonlinear system of algebraic equations and to increase the accuracy and efficiency of method, we split the complex problem into simpler sub-problems using the split-step idea. For a homogeneous FGLE, we propose a method which has fourth-order of accuracy in time component and spectral accuracy in space variable and for nonhomogeneous one, we introduce another scheme based on the Crank-Nicolson approach which has second-order of accuracy in time variable. Due to using the Fourier spectral method for fractional Laplacian operator, the resulting schemes are fully diagonal and easy to code. Numerical results are reported in terms of accuracy, computational order and CPU time to demonstrate the accuracy and efficiency of the proposed methods and to compare the results with the analytical solutions. The results show that the present methods are accurate and require low CPU time. It is illustrated that the numerical results are in good agreement with the theoretical ones.

Fast Sparse Coding for Range Data Denoising with Sparse Ridges Constraint

PubMed Central

Lao, Mingjie; Sang, Yongsheng; Wen, Fei; Zhai, Ruifang

2018-01-01

Light detection and ranging (LiDAR) sensors have been widely deployed on intelligent systems such as unmanned ground vehicles (UGVs) and unmanned aerial vehicles (UAVs) to perform localization, obstacle detection, and navigation tasks. Thus, research into range data processing with competitive performance in terms of both accuracy and efficiency has attracted increasing attention. Sparse coding has revolutionized signal processing and led to state-of-the-art performance in a variety of applications. However, dictionary learning, which plays the central role in sparse coding techniques, is computationally demanding, resulting in its limited applicability in real-time systems. In this study, we propose sparse coding algorithms with a fixed pre-learned ridge dictionary to realize range data denoising via leveraging the regularity of laser range measurements in man-made environments. Experiments on both synthesized data and real data demonstrate that our method obtains accuracy comparable to that of sophisticated sparse coding methods, but with much higher computational efficiency. PMID:29734793

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

Fitting mechanistic epidemic models to data: A comparison of simple Markov chain Monte Carlo approaches.

PubMed

Li, Michael; Dushoff, Jonathan; Bolker, Benjamin M

2018-07-01

Simple mechanistic epidemic models are widely used for forecasting and parameter estimation of infectious diseases based on noisy case reporting data. Despite the widespread application of models to emerging infectious diseases, we know little about the comparative performance of standard computational-statistical frameworks in these contexts. Here we build a simple stochastic, discrete-time, discrete-state epidemic model with both process and observation error and use it to characterize the effectiveness of different flavours of Bayesian Markov chain Monte Carlo (MCMC) techniques. We use fits to simulated data, where parameters (and future behaviour) are known, to explore the limitations of different platforms and quantify parameter estimation accuracy, forecasting accuracy, and computational efficiency across combinations of modeling decisions (e.g. discrete vs. continuous latent states, levels of stochasticity) and computational platforms (JAGS, NIMBLE, Stan).

Computational Modeling of Liquid and Gaseous Control Valves

NASA Technical Reports Server (NTRS)

Daines, Russell; Ahuja, Vineet; Hosangadi, Ashvin; Shipman, Jeremy; Moore, Arden; Sulyma, Peter

2005-01-01

In this paper computational modeling efforts undertaken at NASA Stennis Space Center in support of rocket engine component testing are discussed. Such analyses include structurally complex cryogenic liquid valves and gas valves operating at high pressures and flow rates. Basic modeling and initial successes are documented, and other issues that make valve modeling at SSC somewhat unique are also addressed. These include transient behavior, valve stall, and the determination of flow patterns in LOX valves. Hexahedral structured grids are used for valves that can be simplifies through the use of axisymmetric approximation. Hybrid unstructured methodology is used for structurally complex valves that have disparate length scales and complex flow paths that include strong swirl, local recirculation zones/secondary flow effects. Hexahedral (structured), unstructured, and hybrid meshes are compared for accuracy and computational efficiency. Accuracy is determined using verification and validation techniques.

An energy-efficient failure detector for vehicular cloud computing.

PubMed

Liu, Jiaxi; Wu, Zhibo; Dong, Jian; Wu, Jin; Wen, Dongxin

2018-01-01

Failure detectors are one of the fundamental components for maintaining the high availability of vehicular cloud computing. In vehicular cloud computing, lots of RSUs are deployed along the road to improve the connectivity. Many of them are equipped with solar battery due to the unavailability or excess expense of wired electrical power. So it is important to reduce the battery consumption of RSU. However, the existing failure detection algorithms are not designed to save battery consumption RSU. To solve this problem, a new energy-efficient failure detector 2E-FD has been proposed specifically for vehicular cloud computing. 2E-FD does not only provide acceptable failure detection service, but also saves the battery consumption of RSU. Through the comparative experiments, the results show that our failure detector has better performance in terms of speed, accuracy and battery consumption.

An energy-efficient failure detector for vehicular cloud computing

PubMed Central

Liu, Jiaxi; Wu, Zhibo; Wu, Jin; Wen, Dongxin

2018-01-01

Failure detectors are one of the fundamental components for maintaining the high availability of vehicular cloud computing. In vehicular cloud computing, lots of RSUs are deployed along the road to improve the connectivity. Many of them are equipped with solar battery due to the unavailability or excess expense of wired electrical power. So it is important to reduce the battery consumption of RSU. However, the existing failure detection algorithms are not designed to save battery consumption RSU. To solve this problem, a new energy-efficient failure detector 2E-FD has been proposed specifically for vehicular cloud computing. 2E-FD does not only provide acceptable failure detection service, but also saves the battery consumption of RSU. Through the comparative experiments, the results show that our failure detector has better performance in terms of speed, accuracy and battery consumption. PMID:29352282

DGDFT: A massively parallel method for large scale density functional theory calculations.

PubMed

Hu, Wei; Lin, Lin; Yang, Chao

2015-09-28

We describe a massively parallel implementation of the recently developed discontinuous Galerkin density functional theory (DGDFT) method, for efficient large-scale Kohn-Sham DFT based electronic structure calculations. The DGDFT method uses adaptive local basis (ALB) functions generated on-the-fly during the self-consistent field iteration to represent the solution to the Kohn-Sham equations. The use of the ALB set provides a systematic way to improve the accuracy of the approximation. By using the pole expansion and selected inversion technique to compute electron density, energy, and atomic forces, we can make the computational complexity of DGDFT scale at most quadratically with respect to the number of electrons for both insulating and metallic systems. We show that for the two-dimensional (2D) phosphorene systems studied here, using 37 basis functions per atom allows us to reach an accuracy level of 1.3 × 10(-4) Hartree/atom in terms of the error of energy and 6.2 × 10(-4) Hartree/bohr in terms of the error of atomic force, respectively. DGDFT can achieve 80% parallel efficiency on 128,000 high performance computing cores when it is used to study the electronic structure of 2D phosphorene systems with 3500-14 000 atoms. This high parallel efficiency results from a two-level parallelization scheme that we will describe in detail.

Improving the accuracy and efficiency of time-resolved electronic spectra calculations: cellular dephasing representation with a prefactor.

PubMed

Zambrano, Eduardo; Šulc, Miroslav; Vaníček, Jiří

2013-08-07

Time-resolved electronic spectra can be obtained as the Fourier transform of a special type of time correlation function known as fidelity amplitude, which, in turn, can be evaluated approximately and efficiently with the dephasing representation. Here we improve both the accuracy of this approximation-with an amplitude correction derived from the phase-space propagator-and its efficiency-with an improved cellular scheme employing inverse Weierstrass transform and optimal scaling of the cell size. We demonstrate the advantages of the new methodology by computing dispersed time-resolved stimulated emission spectra in the harmonic potential, pyrazine, and the NCO molecule. In contrast, we show that in strongly chaotic systems such as the quartic oscillator the original dephasing representation is more appropriate than either the cellular or prefactor-corrected methods.

Molecular Isotopic Distribution Analysis (MIDAs) with Adjustable Mass Accuracy

NASA Astrophysics Data System (ADS)

Alves, Gelio; Ogurtsov, Aleksey Y.; Yu, Yi-Kuo

2014-01-01

In this paper, we present Molecular Isotopic Distribution Analysis (MIDAs), a new software tool designed to compute molecular isotopic distributions with adjustable accuracies. MIDAs offers two algorithms, one polynomial-based and one Fourier-transform-based, both of which compute molecular isotopic distributions accurately and efficiently. The polynomial-based algorithm contains few novel aspects, whereas the Fourier-transform-based algorithm consists mainly of improvements to other existing Fourier-transform-based algorithms. We have benchmarked the performance of the two algorithms implemented in MIDAs with that of eight software packages (BRAIN, Emass, Mercury, Mercury5, NeutronCluster, Qmass, JFC, IC) using a consensus set of benchmark molecules. Under the proposed evaluation criteria, MIDAs's algorithms, JFC, and Emass compute with comparable accuracy the coarse-grained (low-resolution) isotopic distributions and are more accurate than the other software packages. For fine-grained isotopic distributions, we compared IC, MIDAs's polynomial algorithm, and MIDAs's Fourier transform algorithm. Among the three, IC and MIDAs's polynomial algorithm compute isotopic distributions that better resemble their corresponding exact fine-grained (high-resolution) isotopic distributions. MIDAs can be accessed freely through a user-friendly web-interface at http://www.ncbi.nlm.nih.gov/CBBresearch/Yu/midas/index.html.

Molecular Isotopic Distribution Analysis (MIDAs) with adjustable mass accuracy.

PubMed

Alves, Gelio; Ogurtsov, Aleksey Y; Yu, Yi-Kuo

2014-01-01

In this paper, we present Molecular Isotopic Distribution Analysis (MIDAs), a new software tool designed to compute molecular isotopic distributions with adjustable accuracies. MIDAs offers two algorithms, one polynomial-based and one Fourier-transform-based, both of which compute molecular isotopic distributions accurately and efficiently. The polynomial-based algorithm contains few novel aspects, whereas the Fourier-transform-based algorithm consists mainly of improvements to other existing Fourier-transform-based algorithms. We have benchmarked the performance of the two algorithms implemented in MIDAs with that of eight software packages (BRAIN, Emass, Mercury, Mercury5, NeutronCluster, Qmass, JFC, IC) using a consensus set of benchmark molecules. Under the proposed evaluation criteria, MIDAs's algorithms, JFC, and Emass compute with comparable accuracy the coarse-grained (low-resolution) isotopic distributions and are more accurate than the other software packages. For fine-grained isotopic distributions, we compared IC, MIDAs's polynomial algorithm, and MIDAs's Fourier transform algorithm. Among the three, IC and MIDAs's polynomial algorithm compute isotopic distributions that better resemble their corresponding exact fine-grained (high-resolution) isotopic distributions. MIDAs can be accessed freely through a user-friendly web-interface at http://www.ncbi.nlm.nih.gov/CBBresearch/Yu/midas/index.html.

Spatial adaptation procedures on tetrahedral meshes for unsteady aerodynamic flow calculations

NASA Technical Reports Server (NTRS)

Rausch, Russ D.; Batina, John T.; Yang, Henry T. Y.

1993-01-01

Spatial adaptation procedures for the accurate and efficient solution of steady and unsteady inviscid flow problems are described. The adaptation procedures were developed and implemented within a three-dimensional, unstructured-grid, upwind-type Euler code. These procedures involve mesh enrichment and mesh coarsening to either add points in high gradient regions of the flow or remove points where they are not needed, respectively, to produce solutions of high spatial accuracy at minimal computational cost. A detailed description of the enrichment and coarsening procedures are presented and comparisons with experimental data for an ONERA M6 wing and an exact solution for a shock-tube problem are presented to provide an assessment of the accuracy and efficiency of the capability. Steady and unsteady results, obtained using spatial adaptation procedures, are shown to be of high spatial accuracy, primarily in that discontinuities such as shock waves are captured very sharply.

Spatial adaptation procedures on tetrahedral meshes for unsteady aerodynamic flow calculations

NASA Technical Reports Server (NTRS)

Rausch, Russ D.; Batina, John T.; Yang, Henry T. Y.

1993-01-01

Spatial adaptation procedures for the accurate and efficient solution of steady and unsteady inviscid flow problems are described. The adaptation procedures were developed and implemented within a three-dimensional, unstructured-grid, upwind-type Euler code. These procedures involve mesh enrichment and mesh coarsening to either add points in high gradient regions of the flow or remove points where they are not needed, respectively, to produce solutions of high spatial accuracy at minimal computational cost. The paper gives a detailed description of the enrichment and coarsening procedures and presents comparisons with experimental data for an ONERA M6 wing and an exact solution for a shock-tube problem to provide an assessment of the accuracy and efficiency of the capability. Steady and unsteady results, obtained using spatial adaptation procedures, are shown to be of high spatial accuracy, primarily in that discontinuities such as shock waves are captured very sharply.

Patch forest: a hybrid framework of random forest and patch-based segmentation

NASA Astrophysics Data System (ADS)

Xie, Zhongliu; Gillies, Duncan

2016-03-01

The development of an accurate, robust and fast segmentation algorithm has long been a research focus in medical computer vision. State-of-the-art practices often involve non-rigidly registering a target image with a set of training atlases for label propagation over the target space to perform segmentation, a.k.a. multi-atlas label propagation (MALP). In recent years, the patch-based segmentation (PBS) framework has gained wide attention due to its advantage of relaxing the strict voxel-to-voxel correspondence to a series of pair-wise patch comparisons for contextual pattern matching. Despite a high accuracy reported in many scenarios, computational efficiency has consistently been a major obstacle for both approaches. Inspired by recent work on random forest, in this paper we propose a patch forest approach, which by equipping the conventional PBS with a fast patch search engine, is able to boost segmentation speed significantly while retaining an equal level of accuracy. In addition, a fast forest training mechanism is also proposed, with the use of a dynamic grid framework to efficiently approximate data compactness computation and a 3D integral image technique for fast box feature retrieval.

Computational Relativistic Astrophysics Using the Flowfield-Dependent Variation Theory

NASA Technical Reports Server (NTRS)

Richardson, G. A.; Chung, T. J.; Whitaker, Ann F. (Technical Monitor)

2001-01-01

Theoretical models, observations and measurements have preoccupied astrophysicists for many centuries. Only in recent years, has the theory of relativity as applied to astrophysical flows met the challenges of how the governing equations can be solved numerically with accuracy and efficiency. Even without the effects of relativity, the physics of magnetohydrodynamic flow instability, turbulence, radiation, and enhanced transport in accretion disks has not been completely resolved. Relativistic effects become pronounced in such cases as jet formation from black hole magnetized accretion disks and also in the study of Gamma-Ray bursts (GRB). Thus, our concern in this paper is to reexamine existing numerical simulation tools as to the accuracy and efficiency of computations and introduce a new approach known as the flowfield-dependent variation (FDV) method. The main feature of the FDV method consists of accommodating discontinuities of shock waves and high gradients of flow variables such as occur in turbulence and unstable motions. In this paper, the physics involved in the solution of relativistic hydrodynamics and solution strategies of the FDV theory are elaborated. The general relativistic astrophysical flow and shock solver (GRAFSS) is introduced, and some simple example problems for Computational Relativistic Astrophysics (CRA) are demonstrated.

Efficient calculation of general Voigt profiles

NASA Astrophysics Data System (ADS)

Cope, D.; Khoury, R.; Lovett, R. J.

1988-02-01

An accurate and efficient program is presented for the computation of OIL profiles, generalizations of the Voigt profile resulting from the one-interacting-level model of Ward et al. (1974). These profiles have speed dependent shift and width functions and have asymmetric shapes. The program contains an adjustable error control parameter and includes the Voigt profile as a special case, although the general nature of this program renders it slower than a specialized Voigt profile method. Results on accuracy and computation time are presented for a broad set of test parameters, and a comparison is made with previous work on the asymptotic behavior of general Voigt profiles.

Efficient use of unlabeled data for protein sequence classification: a comparative study

PubMed Central

Kuksa, Pavel; Huang, Pai-Hsi; Pavlovic, Vladimir

2009-01-01

Background Recent studies in computational primary protein sequence analysis have leveraged the power of unlabeled data. For example, predictive models based on string kernels trained on sequences known to belong to particular folds or superfamilies, the so-called labeled data set, can attain significantly improved accuracy if this data is supplemented with protein sequences that lack any class tags–the unlabeled data. In this study, we present a principled and biologically motivated computational framework that more effectively exploits the unlabeled data by only using the sequence regions that are more likely to be biologically relevant for better prediction accuracy. As overly-represented sequences in large uncurated databases may bias the estimation of computational models that rely on unlabeled data, we also propose a method to remove this bias and improve performance of the resulting classifiers. Results Combined with state-of-the-art string kernels, our proposed computational framework achieves very accurate semi-supervised protein remote fold and homology detection on three large unlabeled databases. It outperforms current state-of-the-art methods and exhibits significant reduction in running time. Conclusion The unlabeled sequences used under the semi-supervised setting resemble the unpolished gemstones; when used as-is, they may carry unnecessary features and hence compromise the classification accuracy but once cut and polished, they improve the accuracy of the classifiers considerably. PMID:19426450

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.

Pricing and simulation for real estate index options: Radial basis point interpolation

NASA Astrophysics Data System (ADS)

Gong, Pu; Zou, Dong; Wang, Jiayue

2018-06-01

This study employs the meshfree radial basis point interpolation (RBPI) for pricing real estate derivatives contingent on real estate index. This method combines radial and polynomial basis functions, which can guarantee the interpolation scheme with Kronecker property and effectively improve accuracy. An exponential change of variables, a mesh refinement algorithm and the Richardson extrapolation are employed in this study to implement the RBPI. Numerical results are presented to examine the computational efficiency and accuracy of our method.

The construction of high-accuracy schemes for acoustic equations

NASA Technical Reports Server (NTRS)

Tang, Lei; Baeder, James D.

1995-01-01

An accuracy analysis of various high order schemes is performed from an interpolation point of view. The analysis indicates that classical high order finite difference schemes, which use polynomial interpolation, hold high accuracy only at nodes and are therefore not suitable for time-dependent problems. Thus, some schemes improve their numerical accuracy within grid cells by the near-minimax approximation method, but their practical significance is degraded by maintaining the same stencil as classical schemes. One-step methods in space discretization, which use piecewise polynomial interpolation and involve data at only two points, can generate a uniform accuracy over the whole grid cell and avoid spurious roots. As a result, they are more accurate and efficient than multistep methods. In particular, the Cubic-Interpolated Psuedoparticle (CIP) scheme is recommended for computational acoustics.

A critical analysis of the accuracy of several numerical techniques for combustion kinetic rate equations

NASA Technical Reports Server (NTRS)

Radhadrishnan, Krishnan

1993-01-01

A detailed analysis of the accuracy of several techniques recently developed for integrating stiff ordinary differential equations is presented. The techniques include two general-purpose codes EPISODE and LSODE developed for an arbitrary system of ordinary differential equations, and three specialized codes CHEMEQ, CREK1D, and GCKP4 developed specifically to solve chemical kinetic rate equations. The accuracy study is made by application of these codes to two practical combustion kinetics problems. Both problems describe adiabatic, homogeneous, gas-phase chemical reactions at constant pressure, and include all three combustion regimes: induction, heat release, and equilibration. To illustrate the error variation in the different combustion regimes the species are divided into three types (reactants, intermediates, and products), and error versus time plots are presented for each species type and the temperature. These plots show that CHEMEQ is the most accurate code during induction and early heat release. During late heat release and equilibration, however, the other codes are more accurate. A single global quantity, a mean integrated root-mean-square error, that measures the average error incurred in solving the complete problem is used to compare the accuracy of the codes. Among the codes examined, LSODE is the most accurate for solving chemical kinetics problems. It is also the most efficient code, in the sense that it requires the least computational work to attain a specified accuracy level. An important finding is that use of the algebraic enthalpy conservation equation to compute the temperature can be more accurate and efficient than integrating the temperature differential equation.

Efficient alignment-free DNA barcode analytics

PubMed Central

Kuksa, Pavel; Pavlovic, Vladimir

2009-01-01

Background In this work we consider barcode DNA analysis problems and address them using alternative, alignment-free methods and representations which model sequences as collections of short sequence fragments (features). The methods use fixed-length representations (spectrum) for barcode sequences to measure similarities or dissimilarities between sequences coming from the same or different species. The spectrum-based representation not only allows for accurate and computationally efficient species classification, but also opens possibility for accurate clustering analysis of putative species barcodes and identification of critical within-barcode loci distinguishing barcodes of different sample groups. Results New alignment-free methods provide highly accurate and fast DNA barcode-based identification and classification of species with substantial improvements in accuracy and speed over state-of-the-art barcode analysis methods. We evaluate our methods on problems of species classification and identification using barcodes, important and relevant analytical tasks in many practical applications (adverse species movement monitoring, sampling surveys for unknown or pathogenic species identification, biodiversity assessment, etc.) On several benchmark barcode datasets, including ACG, Astraptes, Hesperiidae, Fish larvae, and Birds of North America, proposed alignment-free methods considerably improve prediction accuracy compared to prior results. We also observe significant running time improvements over the state-of-the-art methods. Conclusion Our results show that newly developed alignment-free methods for DNA barcoding can efficiently and with high accuracy identify specimens by examining only few barcode features, resulting in increased scalability and interpretability of current computational approaches to barcoding. PMID:19900305

Computer aided manual validation of mass spectrometry-based proteomic data.

PubMed

Curran, Timothy G; Bryson, Bryan D; Reigelhaupt, Michael; Johnson, Hannah; White, Forest M

2013-06-15

Advances in mass spectrometry-based proteomic technologies have increased the speed of analysis and the depth provided by a single analysis. Computational tools to evaluate the accuracy of peptide identifications from these high-throughput analyses have not kept pace with technological advances; currently the most common quality evaluation methods are based on statistical analysis of the likelihood of false positive identifications in large-scale data sets. While helpful, these calculations do not consider the accuracy of each identification, thus creating a precarious situation for biologists relying on the data to inform experimental design. Manual validation is the gold standard approach to confirm accuracy of database identifications, but is extremely time-intensive. To palliate the increasing time required to manually validate large proteomic datasets, we provide computer aided manual validation software (CAMV) to expedite the process. Relevant spectra are collected, catalogued, and pre-labeled, allowing users to efficiently judge the quality of each identification and summarize applicable quantitative information. CAMV significantly reduces the burden associated with manual validation and will hopefully encourage broader adoption of manual validation in mass spectrometry-based proteomics. Copyright © 2013 Elsevier Inc. All rights reserved.

Predicting phenotype from genotype: Improving accuracy through more robust experimental and computational modeling

PubMed Central

Gallion, Jonathan; Koire, Amanda; Katsonis, Panagiotis; Schoenegge, Anne‐Marie; Bouvier, Michel

2017-01-01

Abstract Computational prediction yields efficient and scalable initial assessments of how variants of unknown significance may affect human health. However, when discrepancies between these predictions and direct experimental measurements of functional impact arise, inaccurate computational predictions are frequently assumed as the source. Here, we present a methodological analysis indicating that shortcomings in both computational and biological data can contribute to these disagreements. We demonstrate that incomplete assaying of multifunctional proteins can affect the strength of correlations between prediction and experiments; a variant's full impact on function is better quantified by considering multiple assays that probe an ensemble of protein functions. Additionally, many variants predictions are sensitive to protein alignment construction and can be customized to maximize relevance of predictions to a specific experimental question. We conclude that inconsistencies between computation and experiment can often be attributed to the fact that they do not test identical hypotheses. Aligning the design of the computational input with the design of the experimental output will require cooperation between computational and biological scientists, but will also lead to improved estimations of computational prediction accuracy and a better understanding of the genotype–phenotype relationship. PMID:28230923

Predicting phenotype from genotype: Improving accuracy through more robust experimental and computational modeling.

PubMed

Gallion, Jonathan; Koire, Amanda; Katsonis, Panagiotis; Schoenegge, Anne-Marie; Bouvier, Michel; Lichtarge, Olivier

2017-05-01

Computational prediction yields efficient and scalable initial assessments of how variants of unknown significance may affect human health. However, when discrepancies between these predictions and direct experimental measurements of functional impact arise, inaccurate computational predictions are frequently assumed as the source. Here, we present a methodological analysis indicating that shortcomings in both computational and biological data can contribute to these disagreements. We demonstrate that incomplete assaying of multifunctional proteins can affect the strength of correlations between prediction and experiments; a variant's full impact on function is better quantified by considering multiple assays that probe an ensemble of protein functions. Additionally, many variants predictions are sensitive to protein alignment construction and can be customized to maximize relevance of predictions to a specific experimental question. We conclude that inconsistencies between computation and experiment can often be attributed to the fact that they do not test identical hypotheses. Aligning the design of the computational input with the design of the experimental output will require cooperation between computational and biological scientists, but will also lead to improved estimations of computational prediction accuracy and a better understanding of the genotype-phenotype relationship. © 2017 The Authors. **Human Mutation published by Wiley Periodicals, Inc.

A third-order gas-kinetic CPR method for the Euler and Navier-Stokes equations on triangular meshes

NASA Astrophysics Data System (ADS)

Zhang, Chao; Li, Qibing; Fu, Song; Wang, Z. J.

2018-06-01

A third-order accurate gas-kinetic scheme based on the correction procedure via reconstruction (CPR) framework is developed for the Euler and Navier-Stokes equations on triangular meshes. The scheme combines the accuracy and efficiency of the CPR formulation with the multidimensional characteristics and robustness of the gas-kinetic flux solver. Comparing with high-order finite volume gas-kinetic methods, the current scheme is more compact and efficient by avoiding wide stencils on unstructured meshes. Unlike the traditional CPR method where the inviscid and viscous terms are treated differently, the inviscid and viscous fluxes in the current scheme are coupled and computed uniformly through the kinetic evolution model. In addition, the present scheme adopts a fully coupled spatial and temporal gas distribution function for the flux evaluation, achieving high-order accuracy in both space and time within a single step. Numerical tests with a wide range of flow problems, from nearly incompressible to supersonic flows with strong shocks, for both inviscid and viscous problems, demonstrate the high accuracy and efficiency of the present scheme.

Low-cost autonomous perceptron neural network inspired by quantum computation

NASA Astrophysics Data System (ADS)

Zidan, Mohammed; Abdel-Aty, Abdel-Haleem; El-Sadek, Alaa; Zanaty, E. A.; Abdel-Aty, Mahmoud

2017-11-01

Achieving low cost learning with reliable accuracy is one of the important goals to achieve intelligent machines to save time, energy and perform learning process over limited computational resources machines. In this paper, we propose an efficient algorithm for a perceptron neural network inspired by quantum computing composite from a single neuron to classify inspirable linear applications after a single training iteration O(1). The algorithm is applied over a real world data set and the results are outer performs the other state-of-the art algorithms.

Linear programming computational experience with onyx

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

Atrek, E.

1994-12-31

ONYX is a linear programming software package based on an efficient variation of the gradient projection method. When fully configured, it is intended for application to industrial size problems. While the computational experience is limited at the time of this abstract, the technique is found to be robust and competitive with existing methodology in terms of both accuracy and speed. An overview of the approach is presented together with a description of program capabilities, followed by a discussion of up-to-date computational experience with the program. Conclusions include advantages of the approach and envisioned future developments.

SAGE: The Self-Adaptive Grid Code. 3

NASA Technical Reports Server (NTRS)

Davies, Carol B.; Venkatapathy, Ethiraj

1999-01-01

The multi-dimensional self-adaptive grid code, SAGE, is an important tool in the field of computational fluid dynamics (CFD). It provides an efficient method to improve the accuracy of flow solutions while simultaneously reducing computer processing time. Briefly, SAGE enhances an initial computational grid by redistributing the mesh points into more appropriate locations. The movement of these points is driven by an equal-error-distribution algorithm that utilizes the relationship between high flow gradients and excessive solution errors. The method also provides a balance between clustering points in the high gradient regions and maintaining the smoothness and continuity of the adapted grid, The latest version, Version 3, includes the ability to change the boundaries of a given grid to more efficiently enclose flow structures and provides alternative redistribution algorithms.

A computational approach for hypersonic nonequilibrium radiation utilizing space partition algorithm and Gauss quadrature

NASA Astrophysics Data System (ADS)

Shang, J. S.; Andrienko, D. A.; Huang, P. G.; Surzhikov, S. T.

2014-06-01

An efficient computational capability for nonequilibrium radiation simulation via the ray tracing technique has been accomplished. The radiative rate equation is iteratively coupled with the aerodynamic conservation laws including nonequilibrium chemical and chemical-physical kinetic models. The spectral properties along tracing rays are determined by a space partition algorithm of the nearest neighbor search process, and the numerical accuracy is further enhanced by a local resolution refinement using the Gauss-Lobatto polynomial. The interdisciplinary governing equations are solved by an implicit delta formulation through the diminishing residual approach. The axisymmetric radiating flow fields over the reentry RAM-CII probe have been simulated and verified with flight data and previous solutions by traditional methods. A computational efficiency gain nearly forty times is realized over that of the existing simulation procedures.

Efficient high-order structure-preserving methods for the generalized Rosenau-type equation with power law nonlinearity

NASA Astrophysics Data System (ADS)

Cai, Jiaxiang; Liang, Hua; Zhang, Chun

2018-06-01

Based on the multi-symplectic Hamiltonian formula of the generalized Rosenau-type equation, a multi-symplectic scheme and an energy-preserving scheme are proposed. To improve the accuracy of the solution, we apply the composition technique to the obtained schemes to develop high-order schemes which are also multi-symplectic and energy-preserving respectively. Discrete fast Fourier transform makes a significant improvement to the computational efficiency of schemes. Numerical results verify that all the proposed schemes have satisfactory performance in providing accurate solution and preserving the discrete mass and energy invariants. Numerical results also show that although each basic time step is divided into several composition steps, the computational efficiency of the composition schemes is much higher than that of the non-composite schemes.

An assessment of the potential of PFEM-2 for solving long real-time industrial applications

NASA Astrophysics Data System (ADS)

Gimenez, Juan M.; Ramajo, Damián E.; Márquez Damián, Santiago; Nigro, Norberto M.; Idelsohn, Sergio R.

2017-07-01

The latest generation of the particle finite element method (PFEM-2) is a numerical method based on the Lagrangian formulation of the equations, which presents advantages in terms of robustness and efficiency over classical Eulerian methodologies when certain kind of flows are simulated, especially those where convection plays an important role. These situations are often encountered in real engineering problems, where very complex geometries and operating conditions require very large and long computations. The advantages that the parallelism introduced in the computational fluid dynamics making affordable computations with very fine spatial discretizations are well known. However, it is not possible to have the time parallelized, despite the effort that is being dedicated to use space-time formulations. In this sense, PFEM-2 adds a valuable feature in that its strong stability with little loss of accuracy provides an interesting way of satisfying the real-life computation needs. After having already demonstrated in previous publications its ability to achieve academic-based solutions with a good compromise between accuracy and efficiency, in this work, the method is revisited and employed to solve several nonacademic problems of technological interest, which fall into that category. Simulations concerning oil-water separation, waste-water treatment, metallurgical foundries, and safety assessment are presented. These cases are selected due to their particular requirements of long simulation times and or intensive interface treatment. Thus, large time-steps may be employed with PFEM-2 without compromising the accuracy and robustness of the simulation, as occurs with Eulerian alternatives, showing the potentiality of the methodology for solving not only academic tests but also real engineering problems.

Computational simulation and aerodynamic sensitivity analysis of film-cooled turbines

NASA Astrophysics Data System (ADS)

Massa, Luca

A computational tool is developed for the time accurate sensitivity analysis of the stage performance of hot gas, unsteady turbine components. An existing turbomachinery internal flow solver is adapted to the high temperature environment typical of the hot section of jet engines. A real gas model and film cooling capabilities are successfully incorporated in the software. The modifications to the existing algorithm are described; both the theoretical model and the numerical implementation are validated. The accuracy of the code in evaluating turbine stage performance is tested using a turbine geometry typical of the last stage of aeronautical jet engines. The results of the performance analysis show that the predictions differ from the experimental data by less than 3%. A reliable grid generator, applicable to the domain discretization of the internal flow field of axial flow turbine is developed. A sensitivity analysis capability is added to the flow solver, by rendering it able to accurately evaluate the derivatives of the time varying output functions. The complex Taylor's series expansion (CTSE) technique is reviewed. Two of them are used to demonstrate the accuracy and time dependency of the differentiation process. The results are compared with finite differences (FD) approximations. The CTSE is more accurate than the FD, but less efficient. A "black box" differentiation of the source code, resulting from the automated application of the CTSE, generates high fidelity sensitivity algorithms, but with low computational efficiency and high memory requirements. New formulations of the CTSE are proposed and applied. Selective differentiation of the method for solving the non-linear implicit residual equation leads to sensitivity algorithms with the same accuracy but improved run time. The time dependent sensitivity derivatives are computed in run times comparable to the ones required by the FD approach.

Derek Vigil-Fowler | NREL

Science.gov Websites

simulation methods for materials physics and chemistry, with particular expertise in post-DFT, high accuracy methods such as the GW approximation for electronic structure and random phase approximation (RPA) total the art in computational methods, including efficient methods for including the effects of substrates

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

Pastore, Giovanni; Rabiti, Cristian; Pizzocri, Davide

PolyPole is a numerical algorithm for the calculation of intra-granular fission gas release. In particular, the algorithm solves the gas diffusion problem in a fuel grain in time-varying conditions. The program has been extensively tested. PolyPole combines a high accuracy with a high computational efficiency and is ideally suited for application in fuel performance codes.

All-atom calculation of protein free-energy profiles

NASA Astrophysics Data System (ADS)

Orioli, S.; Ianeselli, A.; Spagnolli, G.; Faccioli, P.

2017-10-01

The Bias Functional (BF) approach is a variational method which enables one to efficiently generate ensembles of reactive trajectories for complex biomolecular transitions, using ordinary computer clusters. For example, this scheme was applied to simulate in atomistic detail the folding of proteins consisting of several hundreds of amino acids and with experimental folding time of several minutes. A drawback of the BF approach is that it produces trajectories which do not satisfy microscopic reversibility. Consequently, this method cannot be used to directly compute equilibrium observables, such as free energy landscapes or equilibrium constants. In this work, we develop a statistical analysis which permits us to compute the potential of mean-force (PMF) along an arbitrary collective coordinate, by exploiting the information contained in the reactive trajectories calculated with the BF approach. We assess the accuracy and computational efficiency of this scheme by comparing its results with the PMF obtained for a small protein by means of plain molecular dynamics.

Efficient Algorithms for Estimating the Absorption Spectrum within Linear Response TDDFT

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

Brabec, Jiri; Lin, Lin; Shao, Meiyue

We present two iterative algorithms for approximating the absorption spectrum of molecules within linear response of time-dependent density functional theory (TDDFT) framework. These methods do not attempt to compute eigenvalues or eigenvectors of the linear response matrix. They are designed to approximate the absorption spectrum as a function directly. They take advantage of the special structure of the linear response matrix. Neither method requires the linear response matrix to be constructed explicitly. They only require a procedure that performs the multiplication of the linear response matrix with a vector. These methods can also be easily modified to efficiently estimate themore » density of states (DOS) of the linear response matrix without computing the eigenvalues of this matrix. We show by computational experiments that the methods proposed in this paper can be much more efficient than methods that are based on the exact diagonalization of the linear response matrix. We show that they can also be more efficient than real-time TDDFT simulations. We compare the pros and cons of these methods in terms of their accuracy as well as their computational and storage cost.« less

JPL Energy Consumption Program (ECP) documentation: A computer model simulating heating, cooling and energy loads in buildings. [low cost solar array efficiency

NASA Technical Reports Server (NTRS)

Lansing, F. L.; Chai, V. W.; Lascu, D.; Urbenajo, R.; Wong, P.

1978-01-01

The engineering manual provides a complete companion documentation about the structure of the main program and subroutines, the preparation of input data, the interpretation of output results, access and use of the program, and the detailed description of all the analytic, logical expressions and flow charts used in computations and program structure. A numerical example is provided and solved completely to show the sequence of computations followed. The program is carefully structured to reduce both user's time and costs without sacrificing accuracy. The user would expect a cost of CPU time of approximately $5.00 per building zone excluding printing costs. The accuracy, on the other hand, measured by deviation of simulated consumption from watt-hour meter readings, was found by many simulation tests not to exceed + or - 10 percent margin.

Lattice Boltzmann and Navier-Stokes Cartesian CFD Approaches for Airframe Noise Predictions

NASA Technical Reports Server (NTRS)

Barad, Michael F.; Kocheemoolayil, Joseph G.; Kiris, Cetin C.

2017-01-01

Lattice Boltzmann (LB) and compressible Navier-Stokes (NS) equations based computational fluid dynamics (CFD) approaches are compared for simulating airframe noise. Both LB and NS CFD approaches are implemented within the Launch Ascent and Vehicle Aerodynamics (LAVA) framework. Both schemes utilize the same underlying Cartesian structured mesh paradigm with provision for local adaptive grid refinement and sub-cycling in time. We choose a prototypical massively separated, wake-dominated flow ideally suited for Cartesian-grid based approaches in this study - The partially-dressed, cavity-closed nose landing gear (PDCC-NLG) noise problem from AIAA's Benchmark problems for Airframe Noise Computations (BANC) series of workshops. The relative accuracy and computational efficiency of the two approaches are systematically compared. Detailed comments are made on the potential held by LB to significantly reduce time-to-solution for a desired level of accuracy within the context of modeling airframes noise from first principles.

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.

Study of sensor spectral responses and data processing algorithms and architectures for onboard feature identification

NASA Technical Reports Server (NTRS)

Huck, F. O.; Davis, R. E.; Fales, C. L.; Aherron, R. M.

1982-01-01

A computational model of the deterministic and stochastic processes involved in remote sensing is used to study spectral feature identification techniques for real-time onboard processing of data acquired with advanced earth-resources sensors. Preliminary results indicate that: Narrow spectral responses are advantageous; signal normalization improves mean-square distance (MSD) classification accuracy but tends to degrade maximum-likelihood (MLH) classification accuracy; and MSD classification of normalized signals performs better than the computationally more complex MLH classification when imaging conditions change appreciably from those conditions during which reference data were acquired. The results also indicate that autonomous categorization of TM signals into vegetation, bare land, water, snow and clouds can be accomplished with adequate reliability for many applications over a reasonably wide range of imaging conditions. However, further analysis is required to develop computationally efficient boundary approximation algorithms for such categorization.

Matrix-vector multiplication using digital partitioning for more accurate optical computing

NASA Technical Reports Server (NTRS)

Gary, C. K.

1992-01-01

Digital partitioning offers a flexible means of increasing the accuracy of an optical matrix-vector processor. This algorithm can be implemented with the same architecture required for a purely analog processor, which gives optical matrix-vector processors the ability to perform high-accuracy calculations at speeds comparable with or greater than electronic computers as well as the ability to perform analog operations at a much greater speed. Digital partitioning is compared with digital multiplication by analog convolution, residue number systems, and redundant number representation in terms of the size and the speed required for an equivalent throughput as well as in terms of the hardware requirements. Digital partitioning and digital multiplication by analog convolution are found to be the most efficient alogrithms if coding time and hardware are considered, and the architecture for digital partitioning permits the use of analog computations to provide the greatest throughput for a single processor.

Parallelization of interpolation, solar radiation and water flow simulation modules in GRASS GIS using OpenMP

NASA Astrophysics Data System (ADS)

Hofierka, Jaroslav; Lacko, Michal; Zubal, Stanislav

2017-10-01

In this paper, we describe the parallelization of three complex and computationally intensive modules of GRASS GIS using the OpenMP application programming interface for multi-core computers. These include the v.surf.rst module for spatial interpolation, the r.sun module for solar radiation modeling and the r.sim.water module for water flow simulation. We briefly describe the functionality of the modules and parallelization approaches used in the modules. Our approach includes the analysis of the module's functionality, identification of source code segments suitable for parallelization and proper application of OpenMP parallelization code to create efficient threads processing the subtasks. We document the efficiency of the solutions using the airborne laser scanning data representing land surface in the test area and derived high-resolution digital terrain model grids. We discuss the performance speed-up and parallelization efficiency depending on the number of processor threads. The study showed a substantial increase in computation speeds on a standard multi-core computer while maintaining the accuracy of results in comparison to the output from original modules. The presented parallelization approach showed the simplicity and efficiency of the parallelization of open-source GRASS GIS modules using OpenMP, leading to an increased performance of this geospatial software on standard multi-core computers.

A region-based segmentation of tumour from brain CT images using nonlinear support vector machine classifier.

PubMed

Nanthagopal, A Padma; Rajamony, R Sukanesh

2012-07-01

The proposed system provides new textural information for segmenting tumours, efficiently and accurately and with less computational time, from benign and malignant tumour images, especially in smaller dimensions of tumour regions of computed tomography (CT) images. Region-based segmentation of tumour from brain CT image data is an important but time-consuming task performed manually by medical experts. The objective of this work is to segment brain tumour from CT images using combined grey and texture features with new edge features and nonlinear support vector machine (SVM) classifier. The selected optimal features are used to model and train the nonlinear SVM classifier to segment the tumour from computed tomography images and the segmentation accuracies are evaluated for each slice of the tumour image. The method is applied on real data of 80 benign, malignant tumour images. The results are compared with the radiologist labelled ground truth. Quantitative analysis between ground truth and the segmented tumour is presented in terms of segmentation accuracy and the overlap similarity measure dice metric. From the analysis and performance measures such as segmentation accuracy and dice metric, it is inferred that better segmentation accuracy and higher dice metric are achieved with the normalized cut segmentation method than with the fuzzy c-means clustering method.

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.

Evaluation of flow hydrodynamics in a pilot-scale dissolved air flotation tank: a comparison between CFD and experimental measurements.

PubMed

Lakghomi, B; Lawryshyn, Y; Hofmann, R

2015-01-01

Computational fluid dynamics (CFD) models of dissolved air flotation (DAF) have shown formation of stratified flow (back and forth horizontal flow layers at the top of the separation zone) and its impact on improved DAF efficiency. However, there has been a lack of experimental validation of CFD predictions, especially in the presence of solid particles. In this work, for the first time, both two-phase (air-water) and three-phase (air-water-solid particles) CFD models were evaluated at pilot scale using measurements of residence time distribution, bubble layer position and bubble-particle contact efficiency. The pilot-scale results confirmed the accuracy of the CFD model for both two-phase and three-phase flows, but showed that the accuracy of the three-phase CFD model would partly depend on the estimation of bubble-particle attachment efficiency.

Atropos: specific, sensitive, and speedy trimming of sequencing reads.

PubMed

Didion, John P; Martin, Marcel; Collins, Francis S

2017-01-01

A key step in the transformation of raw sequencing reads into biological insights is the trimming of adapter sequences and low-quality bases. Read trimming has been shown to increase the quality and reliability while decreasing the computational requirements of downstream analyses. Many read trimming software tools are available; however, no tool simultaneously provides the accuracy, computational efficiency, and feature set required to handle the types and volumes of data generated in modern sequencing-based experiments. Here we introduce Atropos and show that it trims reads with high sensitivity and specificity while maintaining leading-edge speed. Compared to other state-of-the-art read trimming tools, Atropos achieves significant increases in trimming accuracy while remaining competitive in execution times. Furthermore, Atropos maintains high accuracy even when trimming data with elevated rates of sequencing errors. The accuracy, high performance, and broad feature set offered by Atropos makes it an appropriate choice for the pre-processing of Illumina, ABI SOLiD, and other current-generation short-read sequencing datasets. Atropos is open source and free software written in Python (3.3+) and available at https://github.com/jdidion/atropos.

Atropos: specific, sensitive, and speedy trimming of sequencing reads

PubMed Central

Collins, Francis S.

2017-01-01

A key step in the transformation of raw sequencing reads into biological insights is the trimming of adapter sequences and low-quality bases. Read trimming has been shown to increase the quality and reliability while decreasing the computational requirements of downstream analyses. Many read trimming software tools are available; however, no tool simultaneously provides the accuracy, computational efficiency, and feature set required to handle the types and volumes of data generated in modern sequencing-based experiments. Here we introduce Atropos and show that it trims reads with high sensitivity and specificity while maintaining leading-edge speed. Compared to other state-of-the-art read trimming tools, Atropos achieves significant increases in trimming accuracy while remaining competitive in execution times. Furthermore, Atropos maintains high accuracy even when trimming data with elevated rates of sequencing errors. The accuracy, high performance, and broad feature set offered by Atropos makes it an appropriate choice for the pre-processing of Illumina, ABI SOLiD, and other current-generation short-read sequencing datasets. Atropos is open source and free software written in Python (3.3+) and available at https://github.com/jdidion/atropos. PMID:28875074

Deep convolutional neural network for classifying Fusarium wilt of radish from unmanned aerial vehicles

NASA Astrophysics Data System (ADS)

Ha, Jin Gwan; Moon, Hyeonjoon; Kwak, Jin Tae; Hassan, Syed Ibrahim; Dang, Minh; Lee, O. New; Park, Han Yong

2017-10-01

Recently, unmanned aerial vehicles (UAVs) have gained much attention. In particular, there is a growing interest in utilizing UAVs for agricultural applications such as crop monitoring and management. We propose a computerized system that is capable of detecting Fusarium wilt of radish with high accuracy. The system adopts computer vision and machine learning techniques, including deep learning, to process the images captured by UAVs at low altitudes and to identify the infected radish. The whole radish field is first segmented into three distinctive regions (radish, bare ground, and mulching film) via a softmax classifier and K-means clustering. Then, the identified radish regions are further classified into healthy radish and Fusarium wilt of radish using a deep convolutional neural network (CNN). In identifying radish, bare ground, and mulching film from a radish field, we achieved an accuracy of ≥97.4%. In detecting Fusarium wilt of radish, the CNN obtained an accuracy of 93.3%. It also outperformed the standard machine learning algorithm, obtaining 82.9% accuracy. Therefore, UAVs equipped with computational techniques are promising tools for improving the quality and efficiency of agriculture today.

Determination of aerodynamic sensitivity coefficients in the transonic and supersonic regimes

NASA Technical Reports Server (NTRS)

Elbanna, Hesham M.; Carlson, Leland A.

1989-01-01

The quasi-analytical approach is developed to compute airfoil aerodynamic sensitivity coefficients in the transonic and supersonic flight regimes. Initial investigation verifies the feasibility of this approach as applied to the transonic small perturbation residual expression. Results are compared to those obtained by the direct (finite difference) approach and both methods are evaluated to determine their computational accuracies and efficiencies. The quasi-analytical approach is shown to be superior and worth further investigation.

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

Versino, Daniele; Bronkhorst, Curt Allan

The computational formulation of a micro-mechanical material model for the dynamic failure of ductile metals is presented in this paper. The statistical nature of porosity initiation is accounted for by introducing an arbitrary probability density function which describes the pores nucleation pressures. Each micropore within the representative volume element is modeled as a thick spherical shell made of plastically incompressible material. The treatment of porosity by a distribution of thick-walled spheres also allows for the inclusion of micro-inertia effects under conditions of shock and dynamic loading. The second order ordinary differential equation governing the microscopic porosity evolution is solved withmore » a robust implicit procedure. A new Chebyshev collocation method is employed to approximate the porosity distribution and remapping is used to optimize memory usage. The adaptive approximation of the porosity distribution leads to a reduction of computational time and memory usage of up to two orders of magnitude. Moreover, the proposed model affords consistent performance: changing the nucleation pressure probability density function and/or the applied strain rate does not reduce accuracy or computational efficiency of the material model. The numerical performance of the model and algorithms presented is tested against three problems for high density tantalum: single void, one-dimensional uniaxial strain, and two-dimensional plate impact. Here, the results using the integration and algorithmic advances suggest a significant improvement in computational efficiency and accuracy over previous treatments for dynamic loading conditions.« less

Higher-order triangular spectral element method with optimized cubature points for seismic wavefield modeling

NASA Astrophysics Data System (ADS)

Liu, Youshan; Teng, Jiwen; Xu, Tao; Badal, José

2017-05-01

The mass-lumped method avoids the cost of inverting the mass matrix and simultaneously maintains spatial accuracy by adopting additional interior integration points, known as cubature points. To date, such points are only known analytically in tensor domains, such as quadrilateral or hexahedral elements. Thus, the diagonal-mass-matrix spectral element method (SEM) in non-tensor domains always relies on numerically computed interpolation points or quadrature points. However, only the cubature points for degrees 1 to 6 are known, which is the reason that we have developed a p-norm-based optimization algorithm to obtain higher-order cubature points. In this way, we obtain and tabulate new cubature points with all positive integration weights for degrees 7 to 9. The dispersion analysis illustrates that the dispersion relation determined from the new optimized cubature points is comparable to that of the mass and stiffness matrices obtained by exact integration. Simultaneously, the Lebesgue constant for the new optimized cubature points indicates its surprisingly good interpolation properties. As a result, such points provide both good interpolation properties and integration accuracy. The Courant-Friedrichs-Lewy (CFL) numbers are tabulated for the conventional Fekete-based triangular spectral element (TSEM), the TSEM with exact integration, and the optimized cubature-based TSEM (OTSEM). A complementary study demonstrates the spectral convergence of the OTSEM. A numerical example conducted on a half-space model demonstrates that the OTSEM improves the accuracy by approximately one order of magnitude compared to the conventional Fekete-based TSEM. In particular, the accuracy of the 7th-order OTSEM is even higher than that of the 14th-order Fekete-based TSEM. Furthermore, the OTSEM produces a result that can compete in accuracy with the quadrilateral SEM (QSEM). The high accuracy of the OTSEM is also tested with a non-flat topography model. In terms of computational efficiency, the OTSEM is more efficient than the Fekete-based TSEM, although it is slightly costlier than the QSEM when a comparable numerical accuracy is required.

Fast and robust multimodal image registration using a local derivative pattern.

PubMed

Jiang, Dongsheng; Shi, Yonghong; Chen, Xinrong; Wang, Manning; Song, Zhijian

2017-02-01

Deformable multimodal image registration, which can benefit radiotherapy and image guided surgery by providing complementary information, remains a challenging task in the medical image analysis field due to the difficulty of defining a proper similarity measure. This article presents a novel, robust and fast binary descriptor, the discriminative local derivative pattern (dLDP), which is able to encode images of different modalities into similar image representations. dLDP calculates a binary string for each voxel according to the pattern of intensity derivatives in its neighborhood. The descriptor similarity is evaluated using the Hamming distance, which can be efficiently computed, instead of conventional L1 or L2 norms. For the first time, we validated the effectiveness and feasibility of the local derivative pattern for multimodal deformable image registration with several multi-modal registration applications. dLDP was compared with three state-of-the-art methods in artificial image and clinical settings. In the experiments of deformable registration between different magnetic resonance imaging (MRI) modalities from BrainWeb, between computed tomography and MRI images from patient data, and between MRI and ultrasound images from BITE database, we show our method outperforms localized mutual information and entropy images in terms of both accuracy and time efficiency. We have further validated dLDP for the deformable registration of preoperative MRI and three-dimensional intraoperative ultrasound images. Our results indicate that dLDP reduces the average mean target registration error from 4.12 mm to 2.30 mm. This accuracy is statistically equivalent to the accuracy of the state-of-the-art methods in the study; however, in terms of computational complexity, our method significantly outperforms other methods and is even comparable to the sum of the absolute difference. The results reveal that dLDP can achieve superior performance regarding both accuracy and time efficiency in general multimodal image registration. In addition, dLDP also indicates the potential for clinical ultrasound guided intervention. © 2016 The Authors. Medical Physics published by Wiley Periodicals, Inc. on behalf of American Association of Physicists in Medicine.

Acceleration of High Angular Momentum Electron Repulsion Integrals and Integral Derivatives on Graphics Processing Units.

PubMed

Miao, Yipu; Merz, Kenneth M

2015-04-14

We present an efficient implementation of ab initio self-consistent field (SCF) energy and gradient calculations that run on Compute Unified Device Architecture (CUDA) enabled graphical processing units (GPUs) using recurrence relations. We first discuss the machine-generated code that calculates the electron-repulsion integrals (ERIs) for different ERI types. Next we describe the porting of the SCF gradient calculation to GPUs, which results in an acceleration of the computation of the first-order derivative of the ERIs. However, only s, p, and d ERIs and s and p derivatives could be executed simultaneously on GPUs using the current version of CUDA and generation of NVidia GPUs using a previously described algorithm [Miao and Merz J. Chem. Theory Comput. 2013, 9, 965-976.]. Hence, we developed an algorithm to compute f type ERIs and d type ERI derivatives on GPUs. Our benchmarks shows the performance GPU enable ERI and ERI derivative computation yielded speedups of 10-18 times relative to traditional CPU execution. An accuracy analysis using double-precision calculations demonstrates that the overall accuracy is satisfactory for most applications.

Improving Computational Efficiency of Prediction in Model-Based Prognostics Using the Unscented Transform

NASA Technical Reports Server (NTRS)

Daigle, Matthew John; Goebel, Kai Frank

2010-01-01

Model-based prognostics captures system knowledge in the form of physics-based models of components, and how they fail, in order to obtain accurate predictions of end of life (EOL). EOL is predicted based on the estimated current state distribution of a component and expected profiles of future usage. In general, this requires simulations of the component using the underlying models. In this paper, we develop a simulation-based prediction methodology that achieves computational efficiency by performing only the minimal number of simulations needed in order to accurately approximate the mean and variance of the complete EOL distribution. This is performed through the use of the unscented transform, which predicts the means and covariances of a distribution passed through a nonlinear transformation. In this case, the EOL simulation acts as that nonlinear transformation. In this paper, we review the unscented transform, and describe how this concept is applied to efficient EOL prediction. As a case study, we develop a physics-based model of a solenoid valve, and perform simulation experiments to demonstrate improved computational efficiency without sacrificing prediction accuracy.

Progress on a Taylor weak statement finite element algorithm for high-speed aerodynamic flows

NASA Technical Reports Server (NTRS)

Baker, A. J.; Freels, J. D.

1989-01-01

A new finite element numerical Computational Fluid Dynamics (CFD) algorithm has matured to the point of efficiently solving two-dimensional high speed real-gas compressible flow problems in generalized coordinates on modern vector computer systems. The algorithm employs a Taylor Weak Statement classical Galerkin formulation, a variably implicit Newton iteration, and a tensor matrix product factorization of the linear algebra Jacobian under a generalized coordinate transformation. Allowing for a general two-dimensional conservation law system, the algorithm has been exercised on the Euler and laminar forms of the Navier-Stokes equations. Real-gas fluid properties are admitted, and numerical results verify solution accuracy, efficiency, and stability over a range of test problem parameters.

Efficient Unsteady Flow Visualization with High-Order Access Dependencies

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

Zhang, Jiang; Guo, Hanqi; Yuan, Xiaoru

We present a novel high-order access dependencies based model for efficient pathline computation in unsteady flow visualization. By taking longer access sequences into account to model more sophisticated data access patterns in particle tracing, our method greatly improves the accuracy and reliability in data access prediction. In our work, high-order access dependencies are calculated by tracing uniformly-seeded pathlines in both forward and backward directions in a preprocessing stage. The effectiveness of our proposed approach is demonstrated through a parallel particle tracing framework with high-order data prefetching. Results show that our method achieves higher data locality and hence improves the efficiencymore » of pathline computation.« less

Visual environment recognition for robot path planning using template matched filters

NASA Astrophysics Data System (ADS)

Orozco-Rosas, Ulises; Picos, Kenia; Díaz-Ramírez, Víctor H.; Montiel, Oscar; Sepúlveda, Roberto

2017-08-01

A visual approach in environment recognition for robot navigation is proposed. This work includes a template matching filtering technique to detect obstacles and feasible paths using a single camera to sense a cluttered environment. In this problem statement, a robot can move from the start to the goal by choosing a single path between multiple possible ways. In order to generate an efficient and safe path for mobile robot navigation, the proposal employs a pseudo-bacterial potential field algorithm to derive optimal potential field functions using evolutionary computation. Simulation results are evaluated in synthetic and real scenes in terms of accuracy of environment recognition and efficiency of path planning computation.

The efficient model to define a single light source position by use of high dynamic range image of 3D scene

NASA Astrophysics Data System (ADS)

Wang, Xu-yang; Zhdanov, Dmitry D.; Potemin, Igor S.; Wang, Ying; Cheng, Han

2016-10-01

One of the challenges of augmented reality is a seamless combination of objects of the real and virtual worlds, for example light sources. We suggest a measurement and computation models for reconstruction of light source position. The model is based on the dependence of luminance of the small size diffuse surface directly illuminated by point like source placed at a short distance from the observer or camera. The advantage of the computational model is the ability to eliminate the effects of indirect illumination. The paper presents a number of examples to illustrate the efficiency and accuracy of the proposed method.

On real-space Density Functional Theory for non-orthogonal crystal systems: Kronecker product formulation of the kinetic energy operator

NASA Astrophysics Data System (ADS)

Sharma, Abhiraj; Suryanarayana, Phanish

2018-05-01

We present an accurate and efficient real-space Density Functional Theory (DFT) framework for the ab initio study of non-orthogonal crystal systems. Specifically, employing a local reformulation of the electrostatics, we develop a novel Kronecker product formulation of the real-space kinetic energy operator that significantly reduces the number of operations associated with the Laplacian-vector multiplication, the dominant cost in practical computations. In particular, we reduce the scaling with respect to finite-difference order from quadratic to linear, thereby significantly bridging the gap in computational cost between non-orthogonal and orthogonal systems. We verify the accuracy and efficiency of the proposed methodology through selected examples.

An Extreme Learning Machine-Based Neuromorphic Tactile Sensing System for Texture Recognition.

PubMed

Rasouli, Mahdi; Chen, Yi; Basu, Arindam; Kukreja, Sunil L; Thakor, Nitish V

2018-04-01

Despite significant advances in computational algorithms and development of tactile sensors, artificial tactile sensing is strikingly less efficient and capable than the human tactile perception. Inspired by efficiency of biological systems, we aim to develop a neuromorphic system for tactile pattern recognition. We particularly target texture recognition as it is one of the most necessary and challenging tasks for artificial sensory systems. Our system consists of a piezoresistive fabric material as the sensor to emulate skin, an interface that produces spike patterns to mimic neural signals from mechanoreceptors, and an extreme learning machine (ELM) chip to analyze spiking activity. Benefiting from intrinsic advantages of biologically inspired event-driven systems and massively parallel and energy-efficient processing capabilities of the ELM chip, the proposed architecture offers a fast and energy-efficient alternative for processing tactile information. Moreover, it provides the opportunity for the development of low-cost tactile modules for large-area applications by integration of sensors and processing circuits. We demonstrate the recognition capability of our system in a texture discrimination task, where it achieves a classification accuracy of 92% for categorization of ten graded textures. Our results confirm that there exists a tradeoff between response time and classification accuracy (and information transfer rate). A faster decision can be achieved at early time steps or by using a shorter time window. This, however, results in deterioration of the classification accuracy and information transfer rate. We further observe that there exists a tradeoff between the classification accuracy and the input spike rate (and thus energy consumption). Our work substantiates the importance of development of efficient sparse codes for encoding sensory data to improve the energy efficiency. These results have a significance for a wide range of wearable, robotic, prosthetic, and industrial applications.

Evaluating architecture impact on system energy efficiency

PubMed Central

Yu, Shijie; Wang, Rui; Luan, Zhongzhi; Qian, Depei

2017-01-01

As the energy consumption has been surging in an unsustainable way, it is important to understand the impact of existing architecture designs from energy efficiency perspective, which is especially valuable for High Performance Computing (HPC) and datacenter environment hosting tens of thousands of servers. One obstacle hindering the advance of comprehensive evaluation on energy efficiency is the deficient power measuring approach. Most of the energy study relies on either external power meters or power models, both of these two methods contain intrinsic drawbacks in their practical adoption and measuring accuracy. Fortunately, the advent of Intel Running Average Power Limit (RAPL) interfaces has promoted the power measurement ability into next level, with higher accuracy and finer time resolution. Therefore, we argue it is the exact time to conduct an in-depth evaluation of the existing architecture designs to understand their impact on system energy efficiency. In this paper, we leverage representative benchmark suites including serial and parallel workloads from diverse domains to evaluate the architecture features such as Non Uniform Memory Access (NUMA), Simultaneous Multithreading (SMT) and Turbo Boost. The energy is tracked at subcomponent level such as Central Processing Unit (CPU) cores, uncore components and Dynamic Random-Access Memory (DRAM) through exploiting the power measurement ability exposed by RAPL. The experiments reveal non-intuitive results: 1) the mismatch between local compute and remote memory node caused by NUMA effect not only generates dramatic power and energy surge but also deteriorates the energy efficiency significantly; 2) for multithreaded application such as the Princeton Application Repository for Shared-Memory Computers (PARSEC), most of the workloads benefit a notable increase of energy efficiency using SMT, with more than 40% decline in average power consumption; 3) Turbo Boost is effective to accelerate the workload execution and further preserve the energy, however it may not be applicable on system with tight power budget. PMID:29161317

Evaluating architecture impact on system energy efficiency.

PubMed

Yu, Shijie; Yang, Hailong; Wang, Rui; Luan, Zhongzhi; Qian, Depei

2017-01-01

As the energy consumption has been surging in an unsustainable way, it is important to understand the impact of existing architecture designs from energy efficiency perspective, which is especially valuable for High Performance Computing (HPC) and datacenter environment hosting tens of thousands of servers. One obstacle hindering the advance of comprehensive evaluation on energy efficiency is the deficient power measuring approach. Most of the energy study relies on either external power meters or power models, both of these two methods contain intrinsic drawbacks in their practical adoption and measuring accuracy. Fortunately, the advent of Intel Running Average Power Limit (RAPL) interfaces has promoted the power measurement ability into next level, with higher accuracy and finer time resolution. Therefore, we argue it is the exact time to conduct an in-depth evaluation of the existing architecture designs to understand their impact on system energy efficiency. In this paper, we leverage representative benchmark suites including serial and parallel workloads from diverse domains to evaluate the architecture features such as Non Uniform Memory Access (NUMA), Simultaneous Multithreading (SMT) and Turbo Boost. The energy is tracked at subcomponent level such as Central Processing Unit (CPU) cores, uncore components and Dynamic Random-Access Memory (DRAM) through exploiting the power measurement ability exposed by RAPL. The experiments reveal non-intuitive results: 1) the mismatch between local compute and remote memory node caused by NUMA effect not only generates dramatic power and energy surge but also deteriorates the energy efficiency significantly; 2) for multithreaded application such as the Princeton Application Repository for Shared-Memory Computers (PARSEC), most of the workloads benefit a notable increase of energy efficiency using SMT, with more than 40% decline in average power consumption; 3) Turbo Boost is effective to accelerate the workload execution and further preserve the energy, however it may not be applicable on system with tight power budget.

Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional

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

Sun, Jianwei; Remsing, Richard C.; Zhang, Yubo

2016-06-13

One atom or molecule binds to another through various types of bond, the strengths of which range from several meV to several eV. Although some computational methods can provide accurate descriptions of all bond types, those methods are not efficient enough for many studies (for example, large systems, ab initio molecular dynamics and high-throughput searches for functional materials). Here, we show that the recently developed non-empirical strongly constrained and appropriately normed (SCAN) meta-generalized gradient approximation (meta-GGA) within the density functional theory framework predicts accurate geometries and energies of diversely bonded molecules and materials (including covalent, metallic, ionic, hydrogen and vanmore » der Waals bonds). This represents a significant improvement at comparable efficiency over its predecessors, the GGAs that currently dominate materials computation. Often, SCAN matches or improves on the accuracy of a computationally expensive hybrid functional, at almost-GGA cost. SCAN is therefore expected to have a broad impact on chemistry and materials science.« less

Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional.

PubMed

Sun, Jianwei; Remsing, Richard C; Zhang, Yubo; Sun, Zhaoru; Ruzsinszky, Adrienn; Peng, Haowei; Yang, Zenghui; Paul, Arpita; Waghmare, Umesh; Wu, Xifan; Klein, Michael L; Perdew, John P

2016-09-01

One atom or molecule binds to another through various types of bond, the strengths of which range from several meV to several eV. Although some computational methods can provide accurate descriptions of all bond types, those methods are not efficient enough for many studies (for example, large systems, ab initio molecular dynamics and high-throughput searches for functional materials). Here, we show that the recently developed non-empirical strongly constrained and appropriately normed (SCAN) meta-generalized gradient approximation (meta-GGA) within the density functional theory framework predicts accurate geometries and energies of diversely bonded molecules and materials (including covalent, metallic, ionic, hydrogen and van der Waals bonds). This represents a significant improvement at comparable efficiency over its predecessors, the GGAs that currently dominate materials computation. Often, SCAN matches or improves on the accuracy of a computationally expensive hybrid functional, at almost-GGA cost. SCAN is therefore expected to have a broad impact on chemistry and materials science.

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

PubMed

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

2015-02-10

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

An adaptive discontinuous Galerkin solver for aerodynamic flows

NASA Astrophysics Data System (ADS)

Burgess, Nicholas K.

This work considers the accuracy, efficiency, and robustness of an unstructured high-order accurate discontinuous Galerkin (DG) solver for computational fluid dynamics (CFD). Recently, there has been a drive to reduce the discretization error of CFD simulations using high-order methods on unstructured grids. However, high-order methods are often criticized for lacking robustness and having high computational cost. The goal of this work is to investigate methods that enhance the robustness of high-order discontinuous Galerkin (DG) methods on unstructured meshes, while maintaining low computational cost and high accuracy of the numerical solutions. This work investigates robustness enhancement of high-order methods by examining effective non-linear solvers, shock capturing methods, turbulence model discretizations and adaptive refinement techniques. The goal is to develop an all encompassing solver that can simulate a large range of physical phenomena, where all aspects of the solver work together to achieve a robust, efficient and accurate solution strategy. The components and framework for a robust high-order accurate solver that is capable of solving viscous, Reynolds Averaged Navier-Stokes (RANS) and shocked flows is presented. In particular, this work discusses robust discretizations of the turbulence model equation used to close the RANS equations, as well as stable shock capturing strategies that are applicable across a wide range of discretization orders and applicable to very strong shock waves. Furthermore, refinement techniques are considered as both efficiency and robustness enhancement strategies. Additionally, efficient non-linear solvers based on multigrid and Krylov subspace methods are presented. The accuracy, efficiency, and robustness of the solver is demonstrated using a variety of challenging aerodynamic test problems, which include turbulent high-lift and viscous hypersonic flows. Adaptive mesh refinement was found to play a critical role in obtaining a robust and efficient high-order accurate flow solver. A goal-oriented error estimation technique has been developed to estimate the discretization error of simulation outputs. For high-order discretizations, it is shown that functional output error super-convergence can be obtained, provided the discretization satisfies a property known as dual consistency. The dual consistency of the DG methods developed in this work is shown via mathematical analysis and numerical experimentation. Goal-oriented error estimation is also used to drive an hp-adaptive mesh refinement strategy, where a combination of mesh or h-refinement, and order or p-enrichment, is employed based on the smoothness of the solution. The results demonstrate that the combination of goal-oriented error estimation and hp-adaptation yield superior accuracy, as well as enhanced robustness and efficiency for a variety of aerodynamic flows including flows with strong shock waves. This work demonstrates that DG discretizations can be the basis of an accurate, efficient, and robust CFD solver. Furthermore, enhancing the robustness of DG methods does not adversely impact the accuracy or efficiency of the solver for challenging and complex flow problems. In particular, when considering the computation of shocked flows, this work demonstrates that the available shock capturing techniques are sufficiently accurate and robust, particularly when used in conjunction with adaptive mesh refinement . This work also demonstrates that robust solutions of the Reynolds Averaged Navier-Stokes (RANS) and turbulence model equations can be obtained for complex and challenging aerodynamic flows. In this context, the most robust strategy was determined to be a low-order turbulence model discretization coupled to a high-order discretization of the RANS equations. Although RANS solutions using high-order accurate discretizations of the turbulence model were obtained, the behavior of current-day RANS turbulence models discretized to high-order was found to be problematic, leading to solver robustness issues. This suggests that future work is warranted in the area of turbulence model formulation for use with high-order discretizations. Alternately, the use of Large-Eddy Simulation (LES) subgrid scale models with high-order DG methods offers the potential to leverage the high accuracy of these methods for very high fidelity turbulent simulations. This thesis has developed the algorithmic improvements that will lay the foundation for the development of a three-dimensional high-order flow solution strategy that can be used as the basis for future LES simulations.

A Generalized Method for the Comparable and Rigorous Calculation of the Polytropic Efficiencies of Turbocompressors

NASA Astrophysics Data System (ADS)

Dimitrakopoulos, Panagiotis

2018-03-01

The calculation of polytropic efficiencies is a very important task, especially during the development of new compression units, like compressor impellers, stages and stage groups. Such calculations are also crucial for the determination of the performance of a whole compressor. As processors and computational capacities have substantially been improved in the last years, the need for a new, rigorous, robust, accurate and at the same time standardized method merged, regarding the computation of the polytropic efficiencies, especially based on thermodynamics of real gases. The proposed method is based on the rigorous definition of the polytropic efficiency. The input consists of pressure and temperature values at the end points of the compression path (suction and discharge), for a given working fluid. The average relative error for the studied cases was 0.536 %. Thus, this high-accuracy method is proposed for efficiency calculations related with turbocompressors and their compression units, especially when they are operating at high power levels, for example in jet engines and high-power plants.

Detecting exact breakpoints of deletions with diversity in hepatitis B viral genomic DNA from next-generation sequencing data.

PubMed

Cheng, Ji-Hong; Liu, Wen-Chun; Chang, Ting-Tsung; Hsieh, Sun-Yuan; Tseng, Vincent S

2017-10-01

Many studies have suggested that deletions of Hepatitis B Viral (HBV) are associated with the development of progressive liver diseases, even ultimately resulting in hepatocellular carcinoma (HCC). Among the methods for detecting deletions from next-generation sequencing (NGS) data, few methods considered the characteristics of virus, such as high evolution rates and high divergence among the different HBV genomes. Sequencing high divergence HBV genome sequences using the NGS technology outputs millions of reads. Thus, detecting exact breakpoints of deletions from these big and complex data incurs very high computational cost. We proposed a novel analytical method named VirDelect (Virus Deletion Detect), which uses split read alignment base to detect exact breakpoint and diversity variable to consider high divergence in single-end reads data, such that the computational cost can be reduced without losing accuracy. We use four simulated reads datasets and two real pair-end reads datasets of HBV genome sequence to verify VirDelect accuracy by score functions. The experimental results show that VirDelect outperforms the state-of-the-art method Pindel in terms of accuracy score for all simulated datasets and VirDelect had only two base errors even in real datasets. VirDelect is also shown to deliver high accuracy in analyzing the single-end read data as well as pair-end data. VirDelect can serve as an effective and efficient bioinformatics tool for physiologists with high accuracy and efficient performance and applicable to further analysis with characteristics similar to HBV on genome length and high divergence. The software program of VirDelect can be downloaded at https://sourceforge.net/projects/virdelect/. Copyright © 2017. Published by Elsevier Inc.

Non-dynamic decimeter tracking of earth satellites using the Global Positioning System

NASA Technical Reports Server (NTRS)

Yunck, T. P.; Wu, S. C.

1986-01-01

A technique is described for employing the Global Positioning System (GPS) to determine the position of a low earth orbiter with decimeter accuracy without the need for user dynamic models. A differential observing strategy is used requiring a GPS receiver on the user vehicle and a network of six ground receivers. The technique uses the continuous record of position change obtained from GPS carrier phase to smooth position measurements made with pseudo-range. The result is a computationally efficient technique that can deliver decimeter accuracy down to the lowest altitude orbits.

A three-dimensional parabolic equation model of sound propagation using higher-order operator splitting and Padé approximants.

PubMed

Lin, Ying-Tsong; Collis, Jon M; Duda, Timothy F

2012-11-01

An alternating direction implicit (ADI) three-dimensional fluid parabolic equation solution method with enhanced accuracy is presented. The method uses a square-root Helmholtz operator splitting algorithm that retains cross-multiplied operator terms that have been previously neglected. With these higher-order cross terms, the valid angular range of the parabolic equation solution is improved. The method is tested for accuracy against an image solution in an idealized wedge problem. Computational efficiency improvements resulting from the ADI discretization are also discussed.

What's in your next-generation sequence data? An exploration of unmapped DNA and RNA sequence reads from the bovine reference individual

USDA-ARS?s Scientific Manuscript database

BACKGROUND: Next-generation sequencing projects commonly commence by aligning reads to a reference genome assembly. While improvements in alignment algorithms and computational hardware have greatly enhanced the efficiency and accuracy of alignments, a significant percentage of reads often remain u...

Homo heuristicus: why biased minds make better inferences.

PubMed

Gigerenzer, Gerd; Brighton, Henry

2009-01-01

Heuristics are efficient cognitive processes that ignore information. In contrast to the widely held view that less processing reduces accuracy, the study of heuristics shows that less information, computation, and time can in fact improve accuracy. We review the major progress made so far: (a) the discovery of less-is-more effects; (b) the study of the ecological rationality of heuristics, which examines in which environments a given strategy succeeds or fails, and why; (c) an advancement from vague labels to computational models of heuristics; (d) the development of a systematic theory of heuristics that identifies their building blocks and the evolved capacities they exploit, and views the cognitive system as relying on an "adaptive toolbox;" and (e) the development of an empirical methodology that accounts for individual differences, conducts competitive tests, and has provided evidence for people's adaptive use of heuristics. Homo heuristicus has a biased mind and ignores part of the available information, yet a biased mind can handle uncertainty more efficiently and robustly than an unbiased mind relying on more resource-intensive and general-purpose processing strategies. Copyright © 2009 Cognitive Science Society, Inc.

Development of generalized pressure velocity coupling scheme for the analysis of compressible and incompressible combusting flows

NASA Technical Reports Server (NTRS)

Chen, C. P.; Wu, S. T.

1992-01-01

The objective of this investigation has been to develop an algorithm (or algorithms) for the improvement of the accuracy and efficiency of the computer fluid dynamics (CFD) models to study the fundamental physics of combustion chamber flows, which are necessary ultimately for the design of propulsion systems such as SSME and STME. During this three year study (May 19, 1978 - May 18, 1992), a unique algorithm was developed for all speed flows. This newly developed algorithm basically consists of two pressure-based algorithms (i.e. PISOC and MFICE). This PISOC is a non-iterative scheme and the FICE is an iterative scheme where PISOC has the characteristic advantages on low and high speed flows and the modified FICE has shown its efficiency and accuracy to compute the flows in the transonic region. A new algorithm is born from a combination of these two algorithms. This newly developed algorithm has general application in both time-accurate and steady state flows, and also was tested extensively for various flow conditions, such as turbulent flows, chemically reacting flows, and multiphase flows.

Arrival Metering Precision Study

NASA Technical Reports Server (NTRS)

Prevot, Thomas; Mercer, Joey; Homola, Jeffrey; Hunt, Sarah; Gomez, Ashley; Bienert, Nancy; Omar, Faisal; Kraut, Joshua; Brasil, Connie; Wu, Minghong, G.

2015-01-01

This paper describes the background, method and results of the Arrival Metering Precision Study (AMPS) conducted in the Airspace Operations Laboratory at NASA Ames Research Center in May 2014. The simulation study measured delivery accuracy, flight efficiency, controller workload, and acceptability of time-based metering operations to a meter fix at the terminal area boundary for different resolution levels of metering delay times displayed to the air traffic controllers and different levels of airspeed information made available to the Time-Based Flow Management (TBFM) system computing the delay. The results show that the resolution of the delay countdown timer (DCT) on the controllers display has a significant impact on the delivery accuracy at the meter fix. Using the 10 seconds rounded and 1 minute rounded DCT resolutions resulted in more accurate delivery than 1 minute truncated and were preferred by the controllers. Using the speeds the controllers entered into the fourth line of the data tag to update the delay computation in TBFM in high and low altitude sectors increased air traffic control efficiency and reduced fuel burn for arriving aircraft during time based metering.

On finite element implementation and computational techniques for constitutive modeling of high temperature composites

NASA Technical Reports Server (NTRS)

Saleeb, A. F.; Chang, T. Y. P.; Wilt, T.; Iskovitz, I.

1989-01-01

The research work performed during the past year on finite element implementation and computational techniques pertaining to high temperature composites is outlined. In the present research, two main issues are addressed: efficient geometric modeling of composite structures and expedient numerical integration techniques dealing with constitutive rate equations. In the first issue, mixed finite elements for modeling laminated plates and shells were examined in terms of numerical accuracy, locking property and computational efficiency. Element applications include (currently available) linearly elastic analysis and future extension to material nonlinearity for damage predictions and large deformations. On the material level, various integration methods to integrate nonlinear constitutive rate equations for finite element implementation were studied. These include explicit, implicit and automatic subincrementing schemes. In all cases, examples are included to illustrate the numerical characteristics of various methods that were considered.

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

NASA Technical Reports Server (NTRS)

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

2015-01-01

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

An efficient parallel algorithm for the calculation of canonical MP2 energies.

PubMed

Baker, Jon; Pulay, Peter

2002-09-01

We present the parallel version of a previous serial algorithm for the efficient calculation of canonical MP2 energies (Pulay, P.; Saebo, S.; Wolinski, K. Chem Phys Lett 2001, 344, 543). It is based on the Saebo-Almlöf direct-integral transformation, coupled with an efficient prescreening of the AO integrals. The parallel algorithm avoids synchronization delays by spawning a second set of slaves during the bin-sort prior to the second half-transformation. Results are presented for systems with up to 2000 basis functions. MP2 energies for molecules with 400-500 basis functions can be routinely calculated to microhartree accuracy on a small number of processors (6-8) in a matter of minutes with modern PC-based parallel computers. Copyright 2002 Wiley Periodicals, Inc. J Comput Chem 23: 1150-1156, 2002

Efficient Ab initio Modeling of Random Multicomponent Alloys

DOE PAGES

Jiang, Chao; Uberuaga, Blas P.

2016-03-08

Here, we present in this Letter a novel small set of ordered structures (SSOS) method that allows extremely efficient ab initio modeling of random multi-component alloys. Using inverse II-III spinel oxides and equiatomic quinary bcc (so-called high entropy) alloys as examples, we also demonstrate that a SSOS can achieve the same accuracy as a large supercell or a well-converged cluster expansion, but with significantly reduced computational cost. In particular, because of this efficiency, a large number of quinary alloy compositions can be quickly screened, leading to the identification of several new possible high entropy alloy chemistries. Furthermore, the SSOS methodmore » developed here can be broadly useful for the rapid computational design of multi-component materials, especially those with a large number of alloying elements, a challenging problem for other approaches.« less

Fast Steerable Principal Component Analysis

PubMed Central

Zhao, Zhizhen; Shkolnisky, Yoel; Singer, Amit

2016-01-01

Cryo-electron microscopy nowadays often requires the analysis of hundreds of thousands of 2-D images as large as a few hundred pixels in each direction. Here, we introduce an algorithm that efficiently and accurately performs principal component analysis (PCA) for a large set of 2-D images, and, for each image, the set of its uniform rotations in the plane and their reflections. For a dataset consisting of n images of size L × L pixels, the computational complexity of our algorithm is O(nL3 + L4), while existing algorithms take O(nL4). The new algorithm computes the expansion coefficients of the images in a Fourier–Bessel basis efficiently using the nonuniform fast Fourier transform. We compare the accuracy and efficiency of the new algorithm with traditional PCA and existing algorithms for steerable PCA. PMID:27570801

Direct numerical simulation of particulate flows with an overset grid method

NASA Astrophysics Data System (ADS)

Koblitz, A. R.; Lovett, S.; Nikiforakis, N.; Henshaw, W. D.

2017-08-01

We evaluate an efficient overset grid method for two-dimensional and three-dimensional particulate flows for small numbers of particles at finite Reynolds number. The rigid particles are discretised using moving overset grids overlaid on a Cartesian background grid. This allows for strongly-enforced boundary conditions and local grid refinement at particle surfaces, thereby accurately capturing the viscous boundary layer at modest computational cost. The incompressible Navier-Stokes equations are solved with a fractional-step scheme which is second-order-accurate in space and time, while the fluid-solid coupling is achieved with a partitioned approach including multiple sub-iterations to increase stability for light, rigid bodies. Through a series of benchmark studies we demonstrate the accuracy and efficiency of this approach compared to other boundary conformal and static grid methods in the literature. In particular, we find that fully resolving boundary layers at particle surfaces is crucial to obtain accurate solutions to many common test cases. With our approach we are able to compute accurate solutions using as little as one third the number of grid points as uniform grid computations in the literature. A detailed convergence study shows a 13-fold decrease in CPU time over a uniform grid test case whilst maintaining comparable solution accuracy.

How localized is ``local?'' Efficiency vs. accuracy of O(N) domain decomposition in local orbital based all-electron electronic structure theory

NASA Astrophysics Data System (ADS)

Havu, Vile; Blum, Volker; Scheffler, Matthias

2007-03-01

Numeric atom-centered local orbitals (NAO) are efficient basis sets for all-electron electronic structure theory. The locality of NAO's can be exploited to render (in principle) all operations of the self-consistency cycle O(N). This is straightforward for 3D integrals using domain decomposition into spatially close subsets of integration points, enabling critical computational savings that are effective from ˜tens of atoms (no significant overhead for smaller systems) and make large systems (100s of atoms) computationally feasible. Using a new all-electron NAO-based code,^1 we investigate the quantitative impact of exploiting this locality on two distinct classes of systems: Large light-element molecules [Alanine-based polypeptide chains (Ala)n], and compact transition metal clusters. Strict NAO locality is achieved by imposing a cutoff potential with an onset radius rc, and exploited by appropriately shaped integration domains (subsets of integration points). Conventional tight rc<= 3å have no measurable accuracy impact in (Ala)n, but introduce inaccuracies of 20-30 meV/atom in Cun. The domain shape impacts the computational effort by only 10-20 % for reasonable rc. ^1 V. Blum, R. Gehrke, P. Havu, V. Havu, M. Scheffler, The FHI Ab Initio Molecular Simulations (aims) Project, Fritz-Haber-Institut, Berlin (2006).

Next generation interatomic potentials for condensed systems

NASA Astrophysics Data System (ADS)

Handley, Christopher Michael; Behler, Jörg

2014-07-01

The computer simulation of condensed systems is a challenging task. While electronic structure methods like density-functional theory (DFT) usually provide a good compromise between accuracy and efficiency, they are computationally very demanding and thus applicable only to systems containing up to a few hundred atoms. Unfortunately, many interesting problems require simulations to be performed on much larger systems involving thousands of atoms or more. Consequently, more efficient methods are urgently needed, and a lot of effort has been spent on the development of a large variety of potentials enabling simulations with significantly extended time and length scales. Most commonly, these potentials are based on physically motivated functional forms and thus perform very well for the applications they have been designed for. On the other hand, they are often highly system-specific and thus cannot easily be transferred from one system to another. Moreover, their numerical accuracy is restricted by the intrinsic limitations of the imposed functional forms. In recent years, several novel types of potentials have emerged, which are not based on physical considerations. Instead, they aim to reproduce a set of reference electronic structure data as accurately as possible by using very general and flexible functional forms. In this review we will survey a number of these methods. While they differ in the choice of the employed mathematical functions, they all have in common that they provide high-quality potential-energy surfaces, while the efficiency is comparable to conventional empirical potentials. It has been demonstrated that in many cases these potentials now offer a very interesting new approach to study complex systems with hitherto unreached accuracy.

Robust and efficient pharmacokinetic parameter non-linear least squares estimation for dynamic contrast enhanced MRI of the prostate.

PubMed

Kargar, Soudabeh; Borisch, Eric A; Froemming, Adam T; Kawashima, Akira; Mynderse, Lance A; Stinson, Eric G; Trzasko, Joshua D; Riederer, Stephen J

2018-05-01

To describe an efficient numerical optimization technique using non-linear least squares to estimate perfusion parameters for the Tofts and extended Tofts models from dynamic contrast enhanced (DCE) MRI data and apply the technique to prostate cancer. Parameters were estimated by fitting the two Tofts-based perfusion models to the acquired data via non-linear least squares. We apply Variable Projection (VP) to convert the fitting problem from a multi-dimensional to a one-dimensional line search to improve computational efficiency and robustness. Using simulation and DCE-MRI studies in twenty patients with suspected prostate cancer, the VP-based solver was compared against the traditional Levenberg-Marquardt (LM) strategy for accuracy, noise amplification, robustness to converge, and computation time. The simulation demonstrated that VP and LM were both accurate in that the medians closely matched assumed values across typical signal to noise ratio (SNR) levels for both Tofts models. VP and LM showed similar noise sensitivity. Studies using the patient data showed that the VP method reliably converged and matched results from LM with approximate 3× and 2× reductions in computation time for the standard (two-parameter) and extended (three-parameter) Tofts models. While LM failed to converge in 14% of the patient data, VP converged in the ideal 100%. The VP-based method for non-linear least squares estimation of perfusion parameters for prostate MRI is equivalent in accuracy and robustness to noise, while being more reliably (100%) convergent and computationally about 3× (TM) and 2× (ETM) faster than the LM-based method. Copyright © 2017 Elsevier Inc. All rights reserved.

Study on validation method for femur finite element model under multiple loading conditions

NASA Astrophysics Data System (ADS)

Guan, Fengjiao; Zhang, Guanjun; Liu, Jie; Wang, Shujing; Luo, Xu

2018-03-01

Acquisition of accurate and reliable constitutive parameters related to bio-tissue materials was beneficial to improve biological fidelity of a Finite Element (FE) model and predict impact damages more effectively. In this paper, a femur FE model was established under multiple loading conditions with diverse impact positions. Then, based on sequential response surface method and genetic algorithms, the material parameters identification was transformed to a multi-response optimization problem. Finally, the simulation results successfully coincided with force-displacement curves obtained by numerous experiments. Thus, computational accuracy and efficiency of the entire inverse calculation process were enhanced. This method was able to effectively reduce the computation time in the inverse process of material parameters. Meanwhile, the material parameters obtained by the proposed method achieved higher accuracy.

Evaluation of solution procedures for material and/or geometrically nonlinear structural analysis by the direct stiffness method.

NASA Technical Reports Server (NTRS)

Stricklin, J. A.; Haisler, W. E.; Von Riesemann, W. A.

1972-01-01

This paper presents an assessment of the solution procedures available for the analysis of inelastic and/or large deflection structural behavior. A literature survey is given which summarized the contribution of other researchers in the analysis of structural problems exhibiting material nonlinearities and combined geometric-material nonlinearities. Attention is focused at evaluating the available computation and solution techniques. Each of the solution techniques is developed from a common equation of equilibrium in terms of pseudo forces. The solution procedures are applied to circular plates and shells of revolution in an attempt to compare and evaluate each with respect to computational accuracy, economy, and efficiency. Based on the numerical studies, observations and comments are made with regard to the accuracy and economy of each solution technique.

A Shock-Adaptive Godunov Scheme Based on the Generalised Lagrangian Formulation

NASA Astrophysics Data System (ADS)

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

1995-12-01

Application of the Godunov scheme to the Euler equations of gas dynamics based on the Eulerian formulation of flow smears discontinuities, sliplines especially, over several computational cells, while the accuracy in the smooth flow region is of the order O( h), where h is the cell width. Based on the generalised Lagrangian formulation (GLF) of Hui et al., the Godunov scheme yields superior accuracy. By the use of coordinate streamlines in the GLF, the slipline—itself a streamline—is resolved crisply. Infinite shock resolution is achieved through the splitting of shock-cells. An improved entropy-conservation formulation of the governing equations is also proposed for computations in smooth flow regions. Finally, the use of the GLF substantially simplifies the programming logic resulting in a very robust, accurate, and efficient scheme.

A mesh-free approach to acoustic scattering from multiple spheres nested inside a large sphere by using diagonal translation operators.

PubMed

Hesford, Andrew J; Astheimer, Jeffrey P; Greengard, Leslie F; Waag, Robert C

2010-02-01

A multiple-scattering approach is presented to compute the solution of the Helmholtz equation when a number of spherical scatterers are nested in the interior of an acoustically large enclosing sphere. The solution is represented in terms of partial-wave expansions, and a linear system of equations is derived to enforce continuity of pressure and normal particle velocity across all material interfaces. This approach yields high-order accuracy and avoids some of the difficulties encountered when using integral equations that apply to surfaces of arbitrary shape. Calculations are accelerated by using diagonal translation operators to compute the interactions between spheres when the operators are numerically stable. Numerical results are presented to demonstrate the accuracy and efficiency of the method.

A mesh-free approach to acoustic scattering from multiple spheres nested inside a large sphere by using diagonal translation operators

PubMed Central

Hesford, Andrew J.; Astheimer, Jeffrey P.; Greengard, Leslie F.; Waag, Robert C.

2010-01-01

A multiple-scattering approach is presented to compute the solution of the Helmholtz equation when a number of spherical scatterers are nested in the interior of an acoustically large enclosing sphere. The solution is represented in terms of partial-wave expansions, and a linear system of equations is derived to enforce continuity of pressure and normal particle velocity across all material interfaces. This approach yields high-order accuracy and avoids some of the difficulties encountered when using integral equations that apply to surfaces of arbitrary shape. Calculations are accelerated by using diagonal translation operators to compute the interactions between spheres when the operators are numerically stable. Numerical results are presented to demonstrate the accuracy and efficiency of the method. PMID:20136208

Increasing Accuracy in Computed Inviscid Boundary Conditions

NASA Technical Reports Server (NTRS)

Dyson, Roger

2004-01-01

A technique has been devised to increase the accuracy of computational simulations of flows of inviscid fluids by increasing the accuracy with which surface boundary conditions are represented. This technique is expected to be especially beneficial for computational aeroacoustics, wherein it enables proper accounting, not only for acoustic waves, but also for vorticity and entropy waves, at surfaces. Heretofore, inviscid nonlinear surface boundary conditions have been limited to third-order accuracy in time for stationary surfaces and to first-order accuracy in time for moving surfaces. For steady-state calculations, it may be possible to achieve higher accuracy in space, but high accuracy in time is needed for efficient simulation of multiscale unsteady flow phenomena. The present technique is the first surface treatment that provides the needed high accuracy through proper accounting of higher-order time derivatives. The present technique is founded on a method known in art as the Hermitian modified solution approximation (MESA) scheme. This is because high time accuracy at a surface depends upon, among other things, correction of the spatial cross-derivatives of flow variables, and many of these cross-derivatives are included explicitly on the computational grid in the MESA scheme. (Alternatively, a related method other than the MESA scheme could be used, as long as the method involves consistent application of the effects of the cross-derivatives.) While the mathematical derivation of the present technique is too lengthy and complex to fit within the space available for this article, the technique itself can be characterized in relatively simple terms: The technique involves correction of surface-normal spatial pressure derivatives at a boundary surface to satisfy the governing equations and the boundary conditions and thereby achieve arbitrarily high orders of time accuracy in special cases. The boundary conditions can now include a potentially infinite number of time derivatives of surface-normal velocity (consistent with no flow through the boundary) up to arbitrarily high order. The corrections for the first-order spatial derivatives of pressure are calculated by use of the first-order time derivative velocity. The corrected first-order spatial derivatives are used to calculate the second- order time derivatives of velocity, which, in turn, are used to calculate the corrections for the second-order pressure derivatives. The process as described is repeated, progressing through increasing orders of derivatives, until the desired accuracy is attained.

The decision tree approach to classification

NASA Technical Reports Server (NTRS)

Wu, C.; Landgrebe, D. A.; Swain, P. H.

1975-01-01

A class of multistage decision tree classifiers is proposed and studied relative to the classification of multispectral remotely sensed data. The decision tree classifiers are shown to have the potential for improving both the classification accuracy and the computation efficiency. Dimensionality in pattern recognition is discussed and two theorems on the lower bound of logic computation for multiclass classification are derived. The automatic or optimization approach is emphasized. Experimental results on real data are reported, which clearly demonstrate the usefulness of decision tree classifiers.

Development of an Output-based Adaptive Method for Multi-Dimensional Euler and Navier-Stokes Simulations

NASA Technical Reports Server (NTRS)

Darmofal, David L.

2003-01-01

The use of computational simulations in the prediction of complex aerodynamic flows is becoming increasingly prevalent in the design process within the aerospace industry. Continuing advancements in both computing technology and algorithmic development are ultimately leading to attempts at simulating ever-larger, more complex problems. However, by increasing the reliance on computational simulations in the design cycle, we must also increase the accuracy of these simulations in order to maintain or improve the reliability arid safety of the resulting aircraft. At the same time, large-scale computational simulations must be made more affordable so that their potential benefits can be fully realized within the design cycle. Thus, a continuing need exists for increasing the accuracy and efficiency of computational algorithms such that computational fluid dynamics can become a viable tool in the design of more reliable, safer aircraft. The objective of this research was the development of an error estimation and grid adaptive strategy for reducing simulation errors in integral outputs (functionals) such as lift or drag from from multi-dimensional Euler and Navier-Stokes simulations. In this final report, we summarize our work during this grant.

Inattentional blindness increased with augmented reality surgical navigation.

PubMed

Dixon, Benjamin J; Daly, Michael J; Chan, Harley H L; Vescan, Allan; Witterick, Ian J; Irish, Jonathan C

2014-01-01

Augmented reality (AR) surgical navigation systems, designed to increase accuracy and efficiency, have been shown to negatively impact on attention. We wished to assess the effect "head-up" AR displays have on attention, efficiency, and accuracy, while performing a surgical task, compared with the same information being presented on a submonitor (SM). Fifty experienced otolaryngology surgeons (n = 42) and senior otolaryngology trainees (n = 8) performed an endoscopic surgical navigation exercise on a predissected cadaveric model. Computed tomography-generated anatomic contours were fused with the endoscopic image to provide an AR view. Subjects were randomized to perform the task with a standard endoscopic monitor with the AR navigation displayed on an SM or with AR as a single display. Accuracy, task completion time, and the recognition of unexpected findings (a foreign body and a critical complication) were recorded. Recognition of the foreign body was significantly better in the SM group (15/25 [60%]) compared with the AR alone group (8/25 [32%]; p = 0.02). There was no significant difference in task completion time (p = 0.83) or accuracy (p = 0.78) between the two groups. Providing identical surgical navigation on a SM, rather than on a single head-up display, reduced the level of inattentional blindness as measured by detection of unexpected findings. These gains were achieved without any measurable impact on efficiency or accuracy. AR displays may distract the user and we caution injudicious adoption of this technology for medical procedures.

ELM Meets Urban Big Data Analysis: Case Studies

PubMed Central

Chen, Huajun; Chen, Jiaoyan

2016-01-01

In the latest years, the rapid progress of urban computing has engendered big issues, which creates both opportunities and challenges. The heterogeneous and big volume of data and the big difference between physical and virtual worlds have resulted in lots of problems in quickly solving practical problems in urban computing. In this paper, we propose a general application framework of ELM for urban computing. We present several real case studies of the framework like smog-related health hazard prediction and optimal retain store placement. Experiments involving urban data in China show the efficiency, accuracy, and flexibility of our proposed framework. PMID:27656203

Advances in Computational Capabilities for Hypersonic Flows

NASA Technical Reports Server (NTRS)

Kumar, Ajay; Gnoffo, Peter A.; Moss, James N.; Drummond, J. Philip

1997-01-01

The paper reviews the growth and advances in computational capabilities for hypersonic applications over the period from the mid-1980's to the present day. The current status of the code development issues such as surface and field grid generation, algorithms, physical and chemical modeling, and validation is provided. A brief description of some of the major codes being used at NASA Langley Research Center for hypersonic continuum and rarefied flows is provided, along with their capabilities and deficiencies. A number of application examples are presented, and future areas of research to enhance accuracy, reliability, efficiency, and robustness of computational codes are discussed.

Highly Scalable Matching Pursuit Signal Decomposition Algorithm

NASA Technical Reports Server (NTRS)

Christensen, Daniel; Das, Santanu; Srivastava, Ashok N.

2009-01-01

Matching Pursuit Decomposition (MPD) is a powerful iterative algorithm for signal decomposition and feature extraction. MPD decomposes any signal into linear combinations of its dictionary elements or atoms . A best fit atom from an arbitrarily defined dictionary is determined through cross-correlation. The selected atom is subtracted from the signal and this procedure is repeated on the residual in the subsequent iterations until a stopping criterion is met. The reconstructed signal reveals the waveform structure of the original signal. However, a sufficiently large dictionary is required for an accurate reconstruction; this in return increases the computational burden of the algorithm, thus limiting its applicability and level of adoption. The purpose of this research is to improve the scalability and performance of the classical MPD algorithm. Correlation thresholds were defined to prune insignificant atoms from the dictionary. The Coarse-Fine Grids and Multiple Atom Extraction techniques were proposed to decrease the computational burden of the algorithm. The Coarse-Fine Grids method enabled the approximation and refinement of the parameters for the best fit atom. The ability to extract multiple atoms within a single iteration enhanced the effectiveness and efficiency of each iteration. These improvements were implemented to produce an improved Matching Pursuit Decomposition algorithm entitled MPD++. Disparate signal decomposition applications may require a particular emphasis of accuracy or computational efficiency. The prominence of the key signal features required for the proper signal classification dictates the level of accuracy necessary in the decomposition. The MPD++ algorithm may be easily adapted to accommodate the imposed requirements. Certain feature extraction applications may require rapid signal decomposition. The full potential of MPD++ may be utilized to produce incredible performance gains while extracting only slightly less energy than the standard algorithm. When the utmost accuracy must be achieved, the modified algorithm extracts atoms more conservatively but still exhibits computational gains over classical MPD. The MPD++ algorithm was demonstrated using an over-complete dictionary on real life data. Computational times were reduced by factors of 1.9 and 44 for the emphases of accuracy and performance, respectively. The modified algorithm extracted similar amounts of energy compared to classical MPD. The degree of the improvement in computational time depends on the complexity of the data, the initialization parameters, and the breadth of the dictionary. The results of the research confirm that the three modifications successfully improved the scalability and computational efficiency of the MPD algorithm. Correlation Thresholding decreased the time complexity by reducing the dictionary size. Multiple Atom Extraction also reduced the time complexity by decreasing the number of iterations required for a stopping criterion to be reached. The Course-Fine Grids technique enabled complicated atoms with numerous variable parameters to be effectively represented in the dictionary. Due to the nature of the three proposed modifications, they are capable of being stacked and have cumulative effects on the reduction of the time complexity.

A hybrid framework for coupling arbitrary summation-by-parts schemes on general meshes

NASA Astrophysics Data System (ADS)

Lundquist, Tomas; Malan, Arnaud; Nordström, Jan

2018-06-01

We develop a general interface procedure to couple both structured and unstructured parts of a hybrid mesh in a non-collocated, multi-block fashion. The target is to gain optimal computational efficiency in fluid dynamics simulations involving complex geometries. While guaranteeing stability, the proposed procedure is optimized for accuracy and requires minimal algorithmic modifications to already existing schemes. Initial numerical investigations confirm considerable efficiency gains compared to non-hybrid calculations of up to an order of magnitude.

Adaptive Implicit Non-Equilibrium Radiation Diffusion

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

Philip, Bobby; Wang, Zhen; Berrill, Mark A

2013-01-01

We describe methods for accurate and efficient long term time integra- tion of non-equilibrium radiation diffusion systems: implicit time integration for effi- cient long term time integration of stiff multiphysics systems, local control theory based step size control to minimize the required global number of time steps while control- ling accuracy, dynamic 3D adaptive mesh refinement (AMR) to minimize memory and computational costs, Jacobian Free Newton-Krylov methods on AMR grids for efficient nonlinear solution, and optimal multilevel preconditioner components that provide level independent solver convergence.

Application of a substructuring technique to the problem of crack extension and closure

NASA Technical Reports Server (NTRS)

Armen, H., Jr.

1974-01-01

A substructuring technique, originally developed for the efficient reanalysis of structures, is incorporated into the methodology associated with the plastic analysis of structures. An existing finite-element computer program that accounts for elastic-plastic material behavior under cyclic loading was modified to account for changing kinematic constraint conditions - crack growth and intermittent contact of crack surfaces in two dimensional regions. Application of the analysis is presented for a problem of a centercrack panel to demonstrate the efficiency and accuracy of the technique.

SPHINX--an algorithm for taxonomic binning of metagenomic sequences.

PubMed

Mohammed, Monzoorul Haque; Ghosh, Tarini Shankar; Singh, Nitin Kumar; Mande, Sharmila S

2011-01-01

Compared with composition-based binning algorithms, the binning accuracy and specificity of alignment-based binning algorithms is significantly higher. However, being alignment-based, the latter class of algorithms require enormous amount of time and computing resources for binning huge metagenomic datasets. The motivation was to develop a binning approach that can analyze metagenomic datasets as rapidly as composition-based approaches, but nevertheless has the accuracy and specificity of alignment-based algorithms. This article describes a hybrid binning approach (SPHINX) that achieves high binning efficiency by utilizing the principles of both 'composition'- and 'alignment'-based binning algorithms. Validation results with simulated sequence datasets indicate that SPHINX is able to analyze metagenomic sequences as rapidly as composition-based algorithms. Furthermore, the binning efficiency (in terms of accuracy and specificity of assignments) of SPHINX is observed to be comparable with results obtained using alignment-based algorithms. A web server for the SPHINX algorithm is available at http://metagenomics.atc.tcs.com/SPHINX/.

Development and application of unified algorithms for problems in computational science

NASA Technical Reports Server (NTRS)

Shankar, Vijaya; Chakravarthy, Sukumar

1987-01-01

A framework is presented for developing computationally unified numerical algorithms for solving nonlinear equations that arise in modeling various problems in mathematical physics. The concept of computational unification is an attempt to encompass efficient solution procedures for computing various nonlinear phenomena that may occur in a given problem. For example, in Computational Fluid Dynamics (CFD), a unified algorithm will be one that allows for solutions to subsonic (elliptic), transonic (mixed elliptic-hyperbolic), and supersonic (hyperbolic) flows for both steady and unsteady problems. The objectives are: development of superior unified algorithms emphasizing accuracy and efficiency aspects; development of codes based on selected algorithms leading to validation; application of mature codes to realistic problems; and extension/application of CFD-based algorithms to problems in other areas of mathematical physics. The ultimate objective is to achieve integration of multidisciplinary technologies to enhance synergism in the design process through computational simulation. Specific unified algorithms for a hierarchy of gas dynamics equations and their applications to two other areas: electromagnetic scattering, and laser-materials interaction accounting for melting.

Three-dimensional geoelectric modelling with optimal work/accuracy rate using an adaptive wavelet algorithm

NASA Astrophysics Data System (ADS)

Plattner, A.; Maurer, H. R.; Vorloeper, J.; Dahmen, W.

2010-08-01

Despite the ever-increasing power of modern computers, realistic modelling of complex 3-D earth models is still a challenging task and requires substantial computing resources. The overwhelming majority of current geophysical modelling approaches includes either finite difference or non-adaptive finite element algorithms and variants thereof. These numerical methods usually require the subsurface to be discretized with a fine mesh to accurately capture the behaviour of the physical fields. However, this may result in excessive memory consumption and computing times. A common feature of most of these algorithms is that the modelled data discretizations are independent of the model complexity, which may be wasteful when there are only minor to moderate spatial variations in the subsurface parameters. Recent developments in the theory of adaptive numerical solvers have the potential to overcome this problem. Here, we consider an adaptive wavelet-based approach that is applicable to a large range of problems, also including nonlinear problems. In comparison with earlier applications of adaptive solvers to geophysical problems we employ here a new adaptive scheme whose core ingredients arose from a rigorous analysis of the overall asymptotically optimal computational complexity, including in particular, an optimal work/accuracy rate. Our adaptive wavelet algorithm offers several attractive features: (i) for a given subsurface model, it allows the forward modelling domain to be discretized with a quasi minimal number of degrees of freedom, (ii) sparsity of the associated system matrices is guaranteed, which makes the algorithm memory efficient and (iii) the modelling accuracy scales linearly with computing time. We have implemented the adaptive wavelet algorithm for solving 3-D geoelectric problems. To test its performance, numerical experiments were conducted with a series of conductivity models exhibiting varying degrees of structural complexity. Results were compared with a non-adaptive finite element algorithm, which incorporates an unstructured mesh to best-fitting subsurface boundaries. Such algorithms represent the current state-of-the-art in geoelectric modelling. An analysis of the numerical accuracy as a function of the number of degrees of freedom revealed that the adaptive wavelet algorithm outperforms the finite element solver for simple and moderately complex models, whereas the results become comparable for models with high spatial variability of electrical conductivities. The linear dependence of the modelling error and the computing time proved to be model-independent. This feature will allow very efficient computations using large-scale models as soon as our experimental code is optimized in terms of its implementation.

High accurate interpolation of NURBS tool path for CNC machine tools

NASA Astrophysics Data System (ADS)

Liu, Qiang; Liu, Huan; Yuan, Songmei

2016-09-01

Feedrate fluctuation caused by approximation errors of interpolation methods has great effects on machining quality in NURBS interpolation, but few methods can efficiently eliminate or reduce it to a satisfying level without sacrificing the computing efficiency at present. In order to solve this problem, a high accurate interpolation method for NURBS tool path is proposed. The proposed method can efficiently reduce the feedrate fluctuation by forming a quartic equation with respect to the curve parameter increment, which can be efficiently solved by analytic methods in real-time. Theoretically, the proposed method can totally eliminate the feedrate fluctuation for any 2nd degree NURBS curves and can interpolate 3rd degree NURBS curves with minimal feedrate fluctuation. Moreover, a smooth feedrate planning algorithm is also proposed to generate smooth tool motion with considering multiple constraints and scheduling errors by an efficient planning strategy. Experiments are conducted to verify the feasibility and applicability of the proposed method. This research presents a novel NURBS interpolation method with not only high accuracy but also satisfying computing efficiency.

A fast algorithm for forward-modeling of gravitational fields in spherical coordinates with 3D Gauss-Legendre quadrature

NASA Astrophysics Data System (ADS)

Zhao, G.; Liu, J.; Chen, B.; Guo, R.; Chen, L.

2017-12-01

Forward modeling of gravitational fields at large-scale requires to consider the curvature of the Earth and to evaluate the Newton's volume integral in spherical coordinates. To acquire fast and accurate gravitational effects for subsurface structures, subsurface mass distribution is usually discretized into small spherical prisms (called tesseroids). The gravity fields of tesseroids are generally calculated numerically. One of the commonly used numerical methods is the 3D Gauss-Legendre quadrature (GLQ). However, the traditional GLQ integration suffers from low computational efficiency and relatively poor accuracy when the observation surface is close to the source region. We developed a fast and high accuracy 3D GLQ integration based on the equivalence of kernel matrix, adaptive discretization and parallelization using OpenMP. The equivalence of kernel matrix strategy increases efficiency and reduces memory consumption by calculating and storing the same matrix elements in each kernel matrix just one time. In this method, the adaptive discretization strategy is used to improve the accuracy. The numerical investigations show that the executing time of the proposed method is reduced by two orders of magnitude compared with the traditional method that without these optimized strategies. High accuracy results can also be guaranteed no matter how close the computation points to the source region. In addition, the algorithm dramatically reduces the memory requirement by N times compared with the traditional method, where N is the number of discretization of the source region in the longitudinal direction. It makes the large-scale gravity forward modeling and inversion with a fine discretization possible.

Dynamic sensitivity analysis of biological systems

PubMed Central

Wu, Wu Hsiung; Wang, Feng Sheng; Chang, Maw Shang

2008-01-01

Background A mathematical model to understand, predict, control, or even design a real biological system is a central theme in systems biology. A dynamic biological system is always modeled as a nonlinear ordinary differential equation (ODE) system. How to simulate the dynamic behavior and dynamic parameter sensitivities of systems described by ODEs efficiently and accurately is a critical job. In many practical applications, e.g., the fed-batch fermentation systems, the system admissible input (corresponding to independent variables of the system) can be time-dependent. The main difficulty for investigating the dynamic log gains of these systems is the infinite dimension due to the time-dependent input. The classical dynamic sensitivity analysis does not take into account this case for the dynamic log gains. Results We present an algorithm with an adaptive step size control that can be used for computing the solution and dynamic sensitivities of an autonomous ODE system simultaneously. Although our algorithm is one of the decouple direct methods in computing dynamic sensitivities of an ODE system, the step size determined by model equations can be used on the computations of the time profile and dynamic sensitivities with moderate accuracy even when sensitivity equations are more stiff than model equations. To show this algorithm can perform the dynamic sensitivity analysis on very stiff ODE systems with moderate accuracy, it is implemented and applied to two sets of chemical reactions: pyrolysis of ethane and oxidation of formaldehyde. The accuracy of this algorithm is demonstrated by comparing the dynamic parameter sensitivities obtained from this new algorithm and from the direct method with Rosenbrock stiff integrator based on the indirect method. The same dynamic sensitivity analysis was performed on an ethanol fed-batch fermentation system with a time-varying feed rate to evaluate the applicability of the algorithm to realistic models with time-dependent admissible input. Conclusion By combining the accuracy we show with the efficiency of being a decouple direct method, our algorithm is an excellent method for computing dynamic parameter sensitivities in stiff problems. We extend the scope of classical dynamic sensitivity analysis to the investigation of dynamic log gains of models with time-dependent admissible input. PMID:19091016

Reference interaction site model with hydrophobicity induced density inhomogeneity: An analytical theory to compute solvation properties of large hydrophobic solutes in the mixture of polyatomic solvent molecules.

PubMed

Cao, Siqin; Sheong, Fu Kit; Huang, Xuhui

2015-08-07

Reference interaction site model (RISM) has recently become a popular approach in the study of thermodynamical and structural properties of the solvent around macromolecules. On the other hand, it was widely suggested that there exists water density depletion around large hydrophobic solutes (>1 nm), and this may pose a great challenge to the RISM theory. In this paper, we develop a new analytical theory, the Reference Interaction Site Model with Hydrophobicity induced density Inhomogeneity (RISM-HI), to compute solvent radial distribution function (RDF) around large hydrophobic solute in water as well as its mixture with other polyatomic organic solvents. To achieve this, we have explicitly considered the density inhomogeneity at the solute-solvent interface using the framework of the Yvon-Born-Green hierarchy, and the RISM theory is used to obtain the solute-solvent pair correlation. In order to efficiently solve the relevant equations while maintaining reasonable accuracy, we have also developed a new closure called the D2 closure. With this new theory, the solvent RDFs around a large hydrophobic particle in water and different water-acetonitrile mixtures could be computed, which agree well with the results of the molecular dynamics simulations. Furthermore, we show that our RISM-HI theory can also efficiently compute the solvation free energy of solute with a wide range of hydrophobicity in various water-acetonitrile solvent mixtures with a reasonable accuracy. We anticipate that our theory could be widely applied to compute the thermodynamic and structural properties for the solvation of hydrophobic solute.

TU-AB-202-05: GPU-Based 4D Deformable Image Registration Using Adaptive Tetrahedral Mesh Modeling

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

Zhong, Z; Zhuang, L; Gu, X

Purpose: Deformable image registration (DIR) has been employed today as an automated and effective segmentation method to transfer tumor or organ contours from the planning image to daily images, instead of manual segmentation. However, the computational time and accuracy of current DIR approaches are still insufficient for online adaptive radiation therapy (ART), which requires real-time and high-quality image segmentation, especially in a large datasets of 4D-CT images. The objective of this work is to propose a new DIR algorithm, with fast computational speed and high accuracy, by using adaptive feature-based tetrahedral meshing and GPU-based parallelization. Methods: The first step ismore » to generate the adaptive tetrahedral mesh based on the image features of a reference phase of 4D-CT, so that the deformation can be well captured and accurately diffused from the mesh vertices to voxels of the image volume. Subsequently, the deformation vector fields (DVF) and other phases of 4D-CT can be obtained by matching each phase of the target 4D-CT images with the corresponding deformed reference phase. The proposed 4D DIR method is implemented on GPU, resulting in significantly increasing the computational efficiency due to its parallel computing ability. Results: A 4D NCAT digital phantom was used to test the efficiency and accuracy of our method. Both the image and DVF results show that the fine structures and shapes of lung are well preserved, and the tumor position is well captured, i.e., 3D distance error is 1.14 mm. Compared to the previous voxel-based CPU implementation of DIR, such as demons, the proposed method is about 160x faster for registering a 10-phase 4D-CT with a phase dimension of 256×256×150. Conclusion: The proposed 4D DIR method uses feature-based mesh and GPU-based parallelism, which demonstrates the capability to compute both high-quality image and motion results, with significant improvement on the computational speed.« less

Investigation to realize a computationally efficient implementation of the high-order instantaneous-moments-based fringe analysis method

NASA Astrophysics Data System (ADS)

Gorthi, Sai Siva; Rajshekhar, Gannavarpu; Rastogi, Pramod

2010-06-01

Recently, a high-order instantaneous moments (HIM)-operator-based method was proposed for accurate phase estimation in digital holographic interferometry. The method relies on piece-wise polynomial approximation of phase and subsequent evaluation of the polynomial coefficients from the HIM operator using single-tone frequency estimation. The work presents a comparative analysis of the performance of different single-tone frequency estimation techniques, like Fourier transform followed by optimization, estimation of signal parameters by rotational invariance technique (ESPRIT), multiple signal classification (MUSIC), and iterative frequency estimation by interpolation on Fourier coefficients (IFEIF) in HIM-operator-based methods for phase estimation. Simulation and experimental results demonstrate the potential of the IFEIF technique with respect to computational efficiency and estimation accuracy.

Method for the Direct Solve of the Many-Body Schrödinger Wave Equation

NASA Astrophysics Data System (ADS)

Jerke, Jonathan; Tymczak, C. J.; Poirier, Bill

We report on theoretical and computational developments towards a computationally efficient direct solve of the many-body Schrödinger wave equation for electronic systems. This methodology relies on two recent developments pioneered by the authors: 1) the development of a Cardinal Sine basis for electronic structure calculations; and 2) the development of a highly efficient and compact representation of multidimensional functions using the Canonical tensor rank representation developed by Belykin et. al. which we have adapted to electronic structure problems. We then show several relevant examples of the utility and accuracy of this methodology, scaling with system size, and relevant convergence issues of the methodology. Method for the Direct Solve of the Many-Body Schrödinger Wave Equation.

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

PubMed

Shao, Yu; Wang, Shumin

2016-12-01

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

Comprehensive silicon solar cell computer modeling

NASA Technical Reports Server (NTRS)

Lamorte, M. F.

1984-01-01

The development of an efficient, comprehensive Si solar cell modeling program that has the capability of simulation accuracy of 5 percent or less is examined. A general investigation of computerized simulation is provided. Computer simulation programs are subdivided into a number of major tasks: (1) analytical method used to represent the physical system; (2) phenomena submodels that comprise the simulation of the system; (3) coding of the analysis and the phenomena submodels; (4) coding scheme that results in efficient use of the CPU so that CPU costs are low; and (5) modularized simulation program with respect to structures that may be analyzed, addition and/or modification of phenomena submodels as new experimental data become available, and the addition of other photovoltaic materials.

Parallel 3D Mortar Element Method for Adaptive Nonconforming Meshes

NASA Technical Reports Server (NTRS)

Feng, Huiyu; Mavriplis, Catherine; VanderWijngaart, Rob; Biswas, Rupak

2004-01-01

High order methods are frequently used in computational simulation for their high accuracy. An efficient way to avoid unnecessary computation in smooth regions of the solution is to use adaptive meshes which employ fine grids only in areas where they are needed. Nonconforming spectral elements allow the grid to be flexibly adjusted to satisfy the computational accuracy requirements. The method is suitable for computational simulations of unsteady problems with very disparate length scales or unsteady moving features, such as heat transfer, fluid dynamics or flame combustion. In this work, we select the Mark Element Method (MEM) to handle the non-conforming interfaces between elements. A new technique is introduced to efficiently implement MEM in 3-D nonconforming meshes. By introducing an "intermediate mortar", the proposed method decomposes the projection between 3-D elements and mortars into two steps. In each step, projection matrices derived in 2-D are used. The two-step method avoids explicitly forming/deriving large projection matrices for 3-D meshes, and also helps to simplify the implementation. This new technique can be used for both h- and p-type adaptation. This method is applied to an unsteady 3-D moving heat source problem. With our new MEM implementation, mesh adaptation is able to efficiently refine the grid near the heat source and coarsen the grid once the heat source passes. The savings in computational work resulting from the dynamic mesh adaptation is demonstrated by the reduction of the the number of elements used and CPU time spent. MEM and mesh adaptation, respectively, bring irregularity and dynamics to the computer memory access pattern. Hence, they provide a good way to gauge the performance of computer systems when running scientific applications whose memory access patterns are irregular and unpredictable. We select a 3-D moving heat source problem as the Unstructured Adaptive (UA) grid benchmark, a new component of the NAS Parallel Benchmarks (NPB). In this paper, we present some interesting performance results of ow OpenMP parallel implementation on different architectures such as the SGI Origin2000, SGI Altix, and Cray MTA-2.

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

Cao, Siqin; Department of Chemistry, Hong Kong University of Science and Technology, Clear Water Bay, Kowloon; Sheong, Fu Kit

Reference interaction site model (RISM) has recently become a popular approach in the study of thermodynamical and structural properties of the solvent around macromolecules. On the other hand, it was widely suggested that there exists water density depletion around large hydrophobic solutes (>1 nm), and this may pose a great challenge to the RISM theory. In this paper, we develop a new analytical theory, the Reference Interaction Site Model with Hydrophobicity induced density Inhomogeneity (RISM-HI), to compute solvent radial distribution function (RDF) around large hydrophobic solute in water as well as its mixture with other polyatomic organic solvents. To achievemore » this, we have explicitly considered the density inhomogeneity at the solute-solvent interface using the framework of the Yvon-Born-Green hierarchy, and the RISM theory is used to obtain the solute-solvent pair correlation. In order to efficiently solve the relevant equations while maintaining reasonable accuracy, we have also developed a new closure called the D2 closure. With this new theory, the solvent RDFs around a large hydrophobic particle in water and different water-acetonitrile mixtures could be computed, which agree well with the results of the molecular dynamics simulations. Furthermore, we show that our RISM-HI theory can also efficiently compute the solvation free energy of solute with a wide range of hydrophobicity in various water-acetonitrile solvent mixtures with a reasonable accuracy. We anticipate that our theory could be widely applied to compute the thermodynamic and structural properties for the solvation of hydrophobic solute.« less

Bridging the Radiative Transfer Models for Meteorology and Solar Energy Applications

NASA Astrophysics Data System (ADS)

Xie, Y.; Sengupta, M.

2017-12-01

Radiative transfer models are used to compute solar radiation reaching the earth surface and play an important role in both meteorology and solar energy studies. Therefore, they are designed to meet the needs of specialized applications. For instance, radiative transfer models for meteorology seek to provide more accurate cloudy-sky radiation compared to models used in solar energy that are geared towards accuracy in clear-sky conditions associated with the maximum solar resource. However, models for solar energy applications are often computationally faster, as the complex solution of the radiative transfer equation is parameterized by atmospheric properties that can be acquired from surface- or satellite-based observations. This study introduces the National Renewable Energy Laboratory's (NREL's) recent efforts to combine the advantages of radiative transfer models designed for meteorology and solar energy applictions. A fast all-sky radiation model, FARMS-NIT, was developed to efficiently compute narrowband all-sky irradiances over inclined photovoltaic (PV) panels. This new model utilizes the optical preperties from a solar energy model, SMARTS, to computes surface radiation by considering all possible paths of photon transmission and the relevent scattering and absorption attenuation. For cloudy-sky conditions, cloud bidirectional transmittance functions (BTDFs) are provided by a precomputed lookup table (LUT) by LibRadtran. Our initial results indicate that FARMS-NIT has an accuracy that is similar to LibRadtran, a highly accurate multi-stream model, but is significantly more efficient. The development and validation of this model will be presented.

Towards designing an optical-flow based colonoscopy tracking algorithm: a comparative study

NASA Astrophysics Data System (ADS)

Liu, Jianfei; Subramanian, Kalpathi R.; Yoo, Terry S.

2013-03-01

Automatic co-alignment of optical and virtual colonoscopy images can supplement traditional endoscopic procedures, by providing more complete information of clinical value to the gastroenterologist. In this work, we present a comparative analysis of our optical flow based technique for colonoscopy tracking, in relation to current state of the art methods, in terms of tracking accuracy, system stability, and computational efficiency. Our optical-flow based colonoscopy tracking algorithm starts with computing multi-scale dense and sparse optical flow fields to measure image displacements. Camera motion parameters are then determined from optical flow fields by employing a Focus of Expansion (FOE) constrained egomotion estimation scheme. We analyze the design choices involved in the three major components of our algorithm: dense optical flow, sparse optical flow, and egomotion estimation. Brox's optical flow method,1 due to its high accuracy, was used to compare and evaluate our multi-scale dense optical flow scheme. SIFT6 and Harris-affine features7 were used to assess the accuracy of the multi-scale sparse optical flow, because of their wide use in tracking applications; the FOE-constrained egomotion estimation was compared with collinear,2 image deformation10 and image derivative4 based egomotion estimation methods, to understand the stability of our tracking system. Two virtual colonoscopy (VC) image sequences were used in the study, since the exact camera parameters(for each frame) were known; dense optical flow results indicated that Brox's method was superior to multi-scale dense optical flow in estimating camera rotational velocities, but the final tracking errors were comparable, viz., 6mm vs. 8mm after the VC camera traveled 110mm. Our approach was computationally more efficient, averaging 7.2 sec. vs. 38 sec. per frame. SIFT and Harris affine features resulted in tracking errors of up to 70mm, while our sparse optical flow error was 6mm. The comparison among egomotion estimation algorithms showed that our FOE-constrained egomotion estimation method achieved the optimal balance between tracking accuracy and robustness. The comparative study demonstrated that our optical-flow based colonoscopy tracking algorithm maintains good accuracy and stability for routine use in clinical practice.

Data-driven train set crash dynamics simulation

NASA Astrophysics Data System (ADS)

Tang, Zhao; Zhu, Yunrui; Nie, Yinyu; Guo, Shihui; Liu, Fengjia; Chang, Jian; Zhang, Jianjun

2017-02-01

Traditional finite element (FE) methods are arguably expensive in computation/simulation of the train crash. High computational cost limits their direct applications in investigating dynamic behaviours of an entire train set for crashworthiness design and structural optimisation. On the contrary, multi-body modelling is widely used because of its low computational cost with the trade-off in accuracy. In this study, a data-driven train crash modelling method is proposed to improve the performance of a multi-body dynamics simulation of train set crash without increasing the computational burden. This is achieved by the parallel random forest algorithm, which is a machine learning approach that extracts useful patterns of force-displacement curves and predicts a force-displacement relation in a given collision condition from a collection of offline FE simulation data on various collision conditions, namely different crash velocities in our analysis. Using the FE simulation results as a benchmark, we compared our method with traditional multi-body modelling methods and the result shows that our data-driven method improves the accuracy over traditional multi-body models in train crash simulation and runs at the same level of efficiency.

Using quantum chemistry muscle to flex massive systems: How to respond to something perturbing

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

Bertoni, Colleen

Computational chemistry uses the theoretical advances of quantum mechanics and the algorithmic and hardware advances of computer science to give insight into chemical problems. It is currently possible to do highly accurate quantum chemistry calculations, but the most accurate methods are very computationally expensive. Thus it is only feasible to do highly accurate calculations on small molecules, since typically more computationally efficient methods are also less accurate. The overall goal of my dissertation work has been to try to decrease the computational expense of calculations without decreasing the accuracy. In particular, my dissertation work focuses on fragmentation methods, intermolecular interactionsmore » methods, analytic gradients, and taking advantage of new hardware.« less

Probabilistic simulation of multi-scale composite behavior

NASA Technical Reports Server (NTRS)

Liaw, D. G.; Shiao, M. C.; Singhal, S. N.; Chamis, Christos C.

1993-01-01

A methodology is developed to computationally assess the probabilistic composite material properties at all composite scale levels due to the uncertainties in the constituent (fiber and matrix) properties and in the fabrication process variables. The methodology is computationally efficient for simulating the probability distributions of material properties. The sensitivity of the probabilistic composite material property to each random variable is determined. This information can be used to reduce undesirable uncertainties in material properties at the macro scale of the composite by reducing the uncertainties in the most influential random variables at the micro scale. This methodology was implemented into the computer code PICAN (Probabilistic Integrated Composite ANalyzer). The accuracy and efficiency of this methodology are demonstrated by simulating the uncertainties in the material properties of a typical laminate and comparing the results with the Monte Carlo simulation method. The experimental data of composite material properties at all scales fall within the scatters predicted by PICAN.

Finite volume model for two-dimensional shallow environmental flow

USGS Publications Warehouse

Simoes, F.J.M.

2011-01-01

This paper presents the development of a two-dimensional, depth integrated, unsteady, free-surface model based on the shallow water equations. The development was motivated by the desire of balancing computational efficiency and accuracy by selective and conjunctive use of different numerical techniques. The base framework of the discrete model uses Godunov methods on unstructured triangular grids, but the solution technique emphasizes the use of a high-resolution Riemann solver where needed, switching to a simpler and computationally more efficient upwind finite volume technique in the smooth regions of the flow. Explicit time marching is accomplished with strong stability preserving Runge-Kutta methods, with additional acceleration techniques for steady-state computations. A simplified mass-preserving algorithm is used to deal with wet/dry fronts. Application of the model is made to several benchmark cases that show the interplay of the diverse solution techniques.

Design of a Variational Multiscale Method for Turbulent Compressible Flows

NASA Technical Reports Server (NTRS)

Diosady, Laslo Tibor; Murman, Scott M.

2013-01-01

A spectral-element framework is presented for the simulation of subsonic compressible high-Reynolds-number flows. The focus of the work is maximizing the efficiency of the computational schemes to enable unsteady simulations with a large number of spatial and temporal degrees of freedom. A collocation scheme is combined with optimized computational kernels to provide a residual evaluation with computational cost independent of order of accuracy up to 16th order. The optimized residual routines are used to develop a low-memory implicit scheme based on a matrix-free Newton-Krylov method. A preconditioner based on the finite-difference diagonalized ADI scheme is developed which maintains the low memory of the matrix-free implicit solver, while providing improved convergence properties. Emphasis on low memory usage throughout the solver development is leveraged to implement a coupled space-time DG solver which may offer further efficiency gains through adaptivity in both space and time.

An online hybrid brain-computer interface combining multiple physiological signals for webpage browse.

PubMed

Long Chen; Zhongpeng Wang; Feng He; Jiajia Yang; Hongzhi Qi; Peng Zhou; Baikun Wan; Dong Ming

2015-08-01

The hybrid brain computer interface (hBCI) could provide higher information transfer rate than did the classical BCIs. It included more than one brain-computer or human-machine interact paradigms, such as the combination of the P300 and SSVEP paradigms. Research firstly constructed independent subsystems of three different paradigms and tested each of them with online experiments. Then we constructed a serial hybrid BCI system which combined these paradigms to achieve the functions of typing letters, moving and clicking cursor, and switching among them for the purpose of browsing webpages. Five subjects were involved in this study. They all successfully realized these functions in the online tests. The subjects could achieve an accuracy above 90% after training, which met the requirement in operating the system efficiently. The results demonstrated that it was an efficient system capable of robustness, which provided an approach for the clinic application.

Non-intrusive uncertainty quantification of computational fluid dynamics simulations: notes on the accuracy and efficiency

NASA Astrophysics Data System (ADS)

Zimoń, Małgorzata; Sawko, Robert; Emerson, David; Thompson, Christopher

2017-11-01

Uncertainty quantification (UQ) is increasingly becoming an indispensable tool for assessing the reliability of computational modelling. Efficient handling of stochastic inputs, such as boundary conditions, physical properties or geometry, increases the utility of model results significantly. We discuss the application of non-intrusive generalised polynomial chaos techniques in the context of fluid engineering simulations. Deterministic and Monte Carlo integration rules are applied to a set of problems, including ordinary differential equations and the computation of aerodynamic parameters subject to random perturbations. In particular, we analyse acoustic wave propagation in a heterogeneous medium to study the effects of mesh resolution, transients, number and variability of stochastic inputs. We consider variants of multi-level Monte Carlo and perform a novel comparison of the methods with respect to numerical and parametric errors, as well as computational cost. The results provide a comprehensive view of the necessary steps in UQ analysis and demonstrate some key features of stochastic fluid flow systems.

A Computational Framework for Efficient Low Temperature Plasma Simulations

NASA Astrophysics Data System (ADS)

Verma, Abhishek Kumar; Venkattraman, Ayyaswamy

2016-10-01

Over the past years, scientific computing has emerged as an essential tool for the investigation and prediction of low temperature plasmas (LTP) applications which includes electronics, nanomaterial synthesis, metamaterials etc. To further explore the LTP behavior with greater fidelity, we present a computational toolbox developed to perform LTP simulations. This framework will allow us to enhance our understanding of multiscale plasma phenomenon using high performance computing tools mainly based on OpenFOAM FVM distribution. Although aimed at microplasma simulations, the modular framework is able to perform multiscale, multiphysics simulations of physical systems comprises of LTP. Some salient introductory features are capability to perform parallel, 3D simulations of LTP applications on unstructured meshes. Performance of the solver is tested based on numerical results assessing accuracy and efficiency of benchmarks for problems in microdischarge devices. Numerical simulation of microplasma reactor at atmospheric pressure with hemispherical dielectric coated electrodes will be discussed and hence, provide an overview of applicability and future scope of this framework.

Fast Semantic Segmentation of 3d Point Clouds with Strongly Varying Density

NASA Astrophysics Data System (ADS)

Hackel, Timo; Wegner, Jan D.; Schindler, Konrad

2016-06-01

We describe an effective and efficient method for point-wise semantic classification of 3D point clouds. The method can handle unstructured and inhomogeneous point clouds such as those derived from static terrestrial LiDAR or photogammetric reconstruction; and it is computationally efficient, making it possible to process point clouds with many millions of points in a matter of minutes. The key issue, both to cope with strong variations in point density and to bring down computation time, turns out to be careful handling of neighborhood relations. By choosing appropriate definitions of a point's (multi-scale) neighborhood, we obtain a feature set that is both expressive and fast to compute. We evaluate our classification method both on benchmark data from a mobile mapping platform and on a variety of large, terrestrial laser scans with greatly varying point density. The proposed feature set outperforms the state of the art with respect to per-point classification accuracy, while at the same time being much faster to compute.

Hybrid simplified spherical harmonics with diffusion equation for light propagation in tissues.

PubMed

Chen, Xueli; Sun, Fangfang; Yang, Defu; Ren, Shenghan; Zhang, Qian; Liang, Jimin

2015-08-21

Aiming at the limitations of the simplified spherical harmonics approximation (SPN) and diffusion equation (DE) in describing the light propagation in tissues, a hybrid simplified spherical harmonics with diffusion equation (HSDE) based diffuse light transport model is proposed. In the HSDE model, the living body is first segmented into several major organs, and then the organs are divided into high scattering tissues and other tissues. DE and SPN are employed to describe the light propagation in these two kinds of tissues respectively, which are finally coupled using the established boundary coupling condition. The HSDE model makes full use of the advantages of SPN and DE, and abandons their disadvantages, so that it can provide a perfect balance between accuracy and computation time. Using the finite element method, the HSDE is solved for light flux density map on body surface. The accuracy and efficiency of the HSDE are validated with both regular geometries and digital mouse model based simulations. Corresponding results reveal that a comparable accuracy and much less computation time are achieved compared with the SPN model as well as a much better accuracy compared with the DE one.

Computationally efficient method for localizing the spiral rotor source using synthetic intracardiac electrograms during atrial fibrillation.

PubMed

Shariat, M H; Gazor, S; Redfearn, D

2015-08-01

Atrial fibrillation (AF), the most common sustained cardiac arrhythmia, is an extremely costly public health problem. Catheter-based ablation is a common minimally invasive procedure to treat AF. Contemporary mapping methods are highly dependent on the accuracy of anatomic localization of rotor sources within the atria. In this paper, using simulated atrial intracardiac electrograms (IEGMs) during AF, we propose a computationally efficient method for localizing the tip of the electrical rotor with an Archimedean/arithmetic spiral wavefront. The proposed method deploys the locations of electrodes of a catheter and their IEGMs activation times to estimate the unknown parameters of the spiral wavefront including its tip location. The proposed method is able to localize the spiral as soon as the wave hits three electrodes of the catheter. Our simulation results show that the method can efficiently localize the spiral wavefront that rotates either clockwise or counterclockwise.

An exponential time-integrator scheme for steady and unsteady inviscid flows

NASA Astrophysics Data System (ADS)

Li, Shu-Jie; Luo, Li-Shi; Wang, Z. J.; Ju, Lili

2018-07-01

An exponential time-integrator scheme of second-order accuracy based on the predictor-corrector methodology, denoted PCEXP, is developed to solve multi-dimensional nonlinear partial differential equations pertaining to fluid dynamics. The effective and efficient implementation of PCEXP is realized by means of the Krylov method. The linear stability and truncation error are analyzed through a one-dimensional model equation. The proposed PCEXP scheme is applied to the Euler equations discretized with a discontinuous Galerkin method in both two and three dimensions. The effectiveness and efficiency of the PCEXP scheme are demonstrated for both steady and unsteady inviscid flows. The accuracy and efficiency of the PCEXP scheme are verified and validated through comparisons with the explicit third-order total variation diminishing Runge-Kutta scheme (TVDRK3), the implicit backward Euler (BE) and the implicit second-order backward difference formula (BDF2). For unsteady flows, the PCEXP scheme generates a temporal error much smaller than the BDF2 scheme does, while maintaining the expected acceleration at the same time. Moreover, the PCEXP scheme is also shown to achieve the computational efficiency comparable to the implicit schemes for steady flows.

BLESS 2: accurate, memory-efficient and fast error correction method.

PubMed

Heo, Yun; Ramachandran, Anand; Hwu, Wen-Mei; Ma, Jian; Chen, Deming

2016-08-01

The most important features of error correction tools for sequencing data are accuracy, memory efficiency and fast runtime. The previous version of BLESS was highly memory-efficient and accurate, but it was too slow to handle reads from large genomes. We have developed a new version of BLESS to improve runtime and accuracy while maintaining a small memory usage. The new version, called BLESS 2, has an error correction algorithm that is more accurate than BLESS, and the algorithm has been parallelized using hybrid MPI and OpenMP programming. BLESS 2 was compared with five top-performing tools, and it was found to be the fastest when it was executed on two computing nodes using MPI, with each node containing twelve cores. Also, BLESS 2 showed at least 11% higher gain while retaining the memory efficiency of the previous version for large genomes. Freely available at https://sourceforge.net/projects/bless-ec dchen@illinois.edu Supplementary data are available at Bioinformatics online. © The Author 2016. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

Speech recognition for embedded automatic positioner for laparoscope

NASA Astrophysics Data System (ADS)

Chen, Xiaodong; Yin, Qingyun; Wang, Yi; Yu, Daoyin

2014-07-01

In this paper a novel speech recognition methodology based on Hidden Markov Model (HMM) is proposed for embedded Automatic Positioner for Laparoscope (APL), which includes a fixed point ARM processor as the core. The APL system is designed to assist the doctor in laparoscopic surgery, by implementing the specific doctor's vocal control to the laparoscope. Real-time respond to the voice commands asks for more efficient speech recognition algorithm for the APL. In order to reduce computation cost without significant loss in recognition accuracy, both arithmetic and algorithmic optimizations are applied in the method presented. First, depending on arithmetic optimizations most, a fixed point frontend for speech feature analysis is built according to the ARM processor's character. Then the fast likelihood computation algorithm is used to reduce computational complexity of the HMM-based recognition algorithm. The experimental results show that, the method shortens the recognition time within 0.5s, while the accuracy higher than 99%, demonstrating its ability to achieve real-time vocal control to the APL.

Variational approach to probabilistic finite elements

NASA Technical Reports Server (NTRS)

Belytschko, T.; Liu, W. K.; Mani, A.; Besterfield, G.

1991-01-01

Probabilistic finite element methods (PFEM), synthesizing the power of finite element methods with second-moment techniques, are formulated for various classes of problems in structural and solid mechanics. Time-invariant random materials, geometric properties and loads are incorporated in terms of their fundamental statistics viz. second-moments. Analogous to the discretization of the displacement field in finite element methods, the random fields are also discretized. Preserving the conceptual simplicity, the response moments are calculated with minimal computations. By incorporating certain computational techniques, these methods are shown to be capable of handling large systems with many sources of uncertainties. By construction, these methods are applicable when the scale of randomness is not very large and when the probabilistic density functions have decaying tails. The accuracy and efficiency of these methods, along with their limitations, are demonstrated by various applications. Results obtained are compared with those of Monte Carlo simulation and it is shown that good accuracy can be obtained for both linear and nonlinear problems. The methods are amenable to implementation in deterministic FEM based computer codes.

Variational approach to probabilistic finite elements

NASA Astrophysics Data System (ADS)

Belytschko, T.; Liu, W. K.; Mani, A.; Besterfield, G.

1991-08-01

Probabilistic finite element methods (PFEM), synthesizing the power of finite element methods with second-moment techniques, are formulated for various classes of problems in structural and solid mechanics. Time-invariant random materials, geometric properties and loads are incorporated in terms of their fundamental statistics viz. second-moments. Analogous to the discretization of the displacement field in finite element methods, the random fields are also discretized. Preserving the conceptual simplicity, the response moments are calculated with minimal computations. By incorporating certain computational techniques, these methods are shown to be capable of handling large systems with many sources of uncertainties. By construction, these methods are applicable when the scale of randomness is not very large and when the probabilistic density functions have decaying tails. The accuracy and efficiency of these methods, along with their limitations, are demonstrated by various applications. Results obtained are compared with those of Monte Carlo simulation and it is shown that good accuracy can be obtained for both linear and nonlinear problems. The methods are amenable to implementation in deterministic FEM based computer codes.

Variational approach to probabilistic finite elements

NASA Technical Reports Server (NTRS)

Belytschko, T.; Liu, W. K.; Mani, A.; Besterfield, G.

1987-01-01

Probabilistic finite element method (PFEM), synthesizing the power of finite element methods with second-moment techniques, are formulated for various classes of problems in structural and solid mechanics. Time-invariant random materials, geometric properties, and loads are incorporated in terms of their fundamental statistics viz. second-moments. Analogous to the discretization of the displacement field in finite element methods, the random fields are also discretized. Preserving the conceptual simplicity, the response moments are calculated with minimal computations. By incorporating certain computational techniques, these methods are shown to be capable of handling large systems with many sources of uncertainties. By construction, these methods are applicable when the scale of randomness is not very large and when the probabilistic density functions have decaying tails. The accuracy and efficiency of these methods, along with their limitations, are demonstrated by various applications. Results obtained are compared with those of Monte Carlo simulation and it is shown that good accuracy can be obtained for both linear and nonlinear problems. The methods are amenable to implementation in deterministic FEM based computer codes.

Application of Dynamic Analysis in Semi-Analytical Finite Element Method.

PubMed

Liu, Pengfei; Xing, Qinyan; Wang, Dawei; Oeser, Markus

2017-08-30

Analyses of dynamic responses are significantly important for the design, maintenance and rehabilitation of asphalt pavement. In order to evaluate the dynamic responses of asphalt pavement under moving loads, a specific computational program, SAFEM, was developed based on a semi-analytical finite element method. This method is three-dimensional and only requires a two-dimensional FE discretization by incorporating Fourier series in the third dimension. In this paper, the algorithm to apply the dynamic analysis to SAFEM was introduced in detail. Asphalt pavement models under moving loads were built in the SAFEM and commercial finite element software ABAQUS to verify the accuracy and efficiency of the SAFEM. The verification shows that the computational accuracy of SAFEM is high enough and its computational time is much shorter than ABAQUS. Moreover, experimental verification was carried out and the prediction derived from SAFEM is consistent with the measurement. Therefore, the SAFEM is feasible to reliably predict the dynamic response of asphalt pavement under moving loads, thus proving beneficial to road administration in assessing the pavement's state.

A comparison of homogeneous equilibrium and relaxation model for CO2 expansion inside the two-phase ejector

NASA Astrophysics Data System (ADS)

Palacz, M.; Haida, M.; Smolka, J.; Nowak, A. J.; Hafner, A.

2016-09-01

In this study, the comparison of the accuracy of the homogeneous equilibrium model (HEM) and homogeneous relaxation model (HRM) is presented. Both models were applied to simulate the CO2 expansion inside the two-phase ejectors. Moreover, the mentioned models were implemented in the robust and efficient computational tool ejectorPL. That tool guarantees the fully automated computational process and the repeatable computations for the various ejector shapes and operating conditions. The simulated motive nozzle mass flow rates were compared to the experimentally measured mass flow rates. That comparison was made for both, HEM and HRM. The results showed the unsatisfying fidelity of the HEM for the operating regimes far from the carbon dioxide critical point. On the other hand, the HRM accuracy for such conditions was slightly higher. The approach presented in this paper, showed the limitation of applicability of both two-phase models for the expansion phenomena inside the ejectors.

Optical signal processing using photonic reservoir computing

NASA Astrophysics Data System (ADS)

Salehi, Mohammad Reza; Dehyadegari, Louiza

2014-10-01

As a new approach to recognition and classification problems, photonic reservoir computing has such advantages as parallel information processing, power efficient and high speed. In this paper, a photonic structure has been proposed for reservoir computing which is investigated using a simple, yet, non-partial noisy time series prediction task. This study includes the application of a suitable topology with self-feedbacks in a network of SOA's - which lends the system a strong memory - and leads to adjusting adequate parameters resulting in perfect recognition accuracy (100%) for noise-free time series, which shows a 3% improvement over previous results. For the classification of noisy time series, the rate of accuracy showed a 4% increase and amounted to 96%. Furthermore, an analytical approach was suggested to solve rate equations which led to a substantial decrease in the simulation time, which is an important parameter in classification of large signals such as speech recognition, and better results came up compared with previous works.

An Efficient Numerical Method for Computing Synthetic Seismograms for a Layered Half-space with Sources and Receivers at Close or Same Depths

NASA Astrophysics Data System (ADS)

Zhang, H.-m.; Chen, X.-f.; Chang, S.

- It is difficult to compute synthetic seismograms for a layered half-space with sources and receivers at close to or the same depths using the generalized R/T coefficient method (Kennett, 1983; Luco and Apsel, 1983; Yao and Harkrider, 1983; Chen, 1993), because the wavenumber integration converges very slowly. A semi-analytic method for accelerating the convergence, in which part of the integration is implemented analytically, was adopted by some authors (Apsel and Luco, 1983; Hisada, 1994, 1995). In this study, based on the principle of the Repeated Averaging Method (Dahlquist and Björck, 1974; Chang, 1988), we propose an alternative, efficient, numerical method, the peak-trough averaging method (PTAM), to overcome the difficulty mentioned above. Compared with the semi-analytic method, PTAM is not only much simpler mathematically and easier to implement in practice, but also more efficient. Using numerical examples, we illustrate the validity, accuracy and efficiency of the new method.

Efficient Multiple Kernel Learning Algorithms Using Low-Rank Representation.

PubMed

Niu, Wenjia; Xia, Kewen; Zu, Baokai; Bai, Jianchuan

2017-01-01

Unlike Support Vector Machine (SVM), Multiple Kernel Learning (MKL) allows datasets to be free to choose the useful kernels based on their distribution characteristics rather than a precise one. It has been shown in the literature that MKL holds superior recognition accuracy compared with SVM, however, at the expense of time consuming computations. This creates analytical and computational difficulties in solving MKL algorithms. To overcome this issue, we first develop a novel kernel approximation approach for MKL and then propose an efficient Low-Rank MKL (LR-MKL) algorithm by using the Low-Rank Representation (LRR). It is well-acknowledged that LRR can reduce dimension while retaining the data features under a global low-rank constraint. Furthermore, we redesign the binary-class MKL as the multiclass MKL based on pairwise strategy. Finally, the recognition effect and efficiency of LR-MKL are verified on the datasets Yale, ORL, LSVT, and Digit. Experimental results show that the proposed LR-MKL algorithm is an efficient kernel weights allocation method in MKL and boosts the performance of MKL largely.

Application of particle splitting method for both hydrostatic and hydrodynamic cases in SPH

NASA Astrophysics Data System (ADS)

Liu, W. T.; Sun, P. N.; Ming, F. R.; Zhang, A. M.

2018-01-01

Smoothed particle hydrodynamics (SPH) method with numerical diffusive terms shows satisfactory stability and accuracy in some violent fluid-solid interaction problems. However, in most simulations, uniform particle distributions are used and the multi-resolution, which can obviously improve the local accuracy and the overall computational efficiency, has seldom been applied. In this paper, a dynamic particle splitting method is applied and it allows for the simulation of both hydrostatic and hydrodynamic problems. The splitting algorithm is that, when a coarse (mother) particle enters the splitting region, it will be split into four daughter particles, which inherit the physical parameters of the mother particle. In the particle splitting process, conservations of mass, momentum and energy are ensured. Based on the error analysis, the splitting technique is designed to allow the optimal accuracy at the interface between the coarse and refined particles and this is particularly important in the simulation of hydrostatic cases. Finally, the scheme is validated by five basic cases, which demonstrate that the present SPH model with a particle splitting technique is of high accuracy and efficiency and is capable for the simulation of a wide range of hydrodynamic problems.

Solving the Coupled System Improves Computational Efficiency of the Bidomain Equations

PubMed Central

Southern, James A.; Plank, Gernot; Vigmond, Edward J.; Whiteley, Jonathan P.

2017-01-01

The bidomain equations are frequently used to model the propagation of cardiac action potentials across cardiac tissue. At the whole organ level the size of the computational mesh required makes their solution a significant computational challenge. As the accuracy of the numerical solution cannot be compromised, efficiency of the solution technique is important to ensure that the results of the simulation can be obtained in a reasonable time whilst still encapsulating the complexities of the system. In an attempt to increase efficiency of the solver, the bidomain equations are often decoupled into one parabolic equation that is computationally very cheap to solve and an elliptic equation that is much more expensive to solve. In this study the performance of this uncoupled solution method is compared with an alternative strategy in which the bidomain equations are solved as a coupled system. This seems counter-intuitive as the alternative method requires the solution of a much larger linear system at each time step. However, in tests on two 3-D rabbit ventricle benchmarks it is shown that the coupled method is up to 80% faster than the conventional uncoupled method — and that parallel performance is better for the larger coupled problem. PMID:19457741

Computer analysis of multicircuit shells of revolution by the field method

NASA Technical Reports Server (NTRS)

Cohen, G. A.

1975-01-01

The field method, presented previously for the solution of even-order linear boundary value problems defined on one-dimensional open branch domains, is extended to boundary value problems defined on one-dimensional domains containing circuits. This method converts the boundary value problem into two successive numerically stable initial value problems, which may be solved by standard forward integration techniques. In addition, a new method for the treatment of singular boundary conditions is presented. This method, which amounts to a partial interchange of the roles of force and displacement variables, is problem independent with respect to both accuracy and speed of execution. This method was implemented in a computer program to calculate the static response of ring stiffened orthotropic multicircuit shells of revolution to asymmetric loads. Solutions are presented for sample problems which illustrate the accuracy and efficiency of the method.

Subpixel displacement measurement method based on the combination of particle swarm optimization and gradient algorithm

NASA Astrophysics Data System (ADS)

Guang, Chen; Qibo, Feng; Keqin, Ding; Zhan, Gao

2017-10-01

A subpixel displacement measurement method based on the combination of particle swarm optimization (PSO) and gradient algorithm (GA) was proposed for accuracy and speed optimization in GA, which is a subpixel displacement measurement method better applied in engineering practice. An initial integer-pixel value was obtained according to the global searching ability of PSO, and then gradient operators were adopted for a subpixel displacement search. A comparison was made between this method and GA by simulated speckle images and rigid-body displacement in metal specimens. The results showed that the computational accuracy of the combination of PSO and GA method reached 0.1 pixel in the simulated speckle images, or even 0.01 pixels in the metal specimen. Also, computational efficiency and the antinoise performance of the improved method were markedly enhanced.

Higher Order Time Integration Schemes for the Unsteady Navier-Stokes Equations on Unstructured Meshes

NASA Technical Reports Server (NTRS)

Jothiprasad, Giridhar; Mavriplis, Dimitri J.; Caughey, David A.

2002-01-01

The rapid increase in available computational power over the last decade has enabled higher resolution flow simulations and more widespread use of unstructured grid methods for complex geometries. While much of this effort has been focused on steady-state calculations in the aerodynamics community, the need to accurately predict off-design conditions, which may involve substantial amounts of flow separation, points to the need to efficiently simulate unsteady flow fields. Accurate unsteady flow simulations can easily require several orders of magnitude more computational effort than a corresponding steady-state simulation. For this reason, techniques for improving the efficiency of unsteady flow simulations are required in order to make such calculations feasible in the foreseeable future. The purpose of this work is to investigate possible reductions in computer time due to the choice of an efficient time-integration scheme from a series of schemes differing in the order of time-accuracy, and by the use of more efficient techniques to solve the nonlinear equations which arise while using implicit time-integration schemes. This investigation is carried out in the context of a two-dimensional unstructured mesh laminar Navier-Stokes solver.

Multi-disciplinary optimization of aeroservoelastic systems

NASA Technical Reports Server (NTRS)

Karpel, Mordechay

1990-01-01

Efficient analytical and computational tools for simultaneous optimal design of the structural and control components of aeroservoelastic systems are presented. The optimization objective is to achieve aircraft performance requirements and sufficient flutter and control stability margins with a minimal weight penalty and without violating the design constraints. Analytical sensitivity derivatives facilitate an efficient optimization process which allows a relatively large number of design variables. Standard finite element and unsteady aerodynamic routines are used to construct a modal data base. Minimum State aerodynamic approximations and dynamic residualization methods are used to construct a high accuracy, low order aeroservoelastic model. Sensitivity derivatives of flutter dynamic pressure, control stability margins and control effectiveness with respect to structural and control design variables are presented. The performance requirements are utilized by equality constraints which affect the sensitivity derivatives. A gradient-based optimization algorithm is used to minimize an overall cost function. A realistic numerical example of a composite wing with four controls is used to demonstrate the modeling technique, the optimization process, and their accuracy and efficiency.

Multidisciplinary optimization of aeroservoelastic systems using reduced-size models

NASA Technical Reports Server (NTRS)

Karpel, Mordechay

1992-01-01

Efficient analytical and computational tools for simultaneous optimal design of the structural and control components of aeroservoelastic systems are presented. The optimization objective is to achieve aircraft performance requirements and sufficient flutter and control stability margins with a minimal weight penalty and without violating the design constraints. Analytical sensitivity derivatives facilitate an efficient optimization process which allows a relatively large number of design variables. Standard finite element and unsteady aerodynamic routines are used to construct a modal data base. Minimum State aerodynamic approximations and dynamic residualization methods are used to construct a high accuracy, low order aeroservoelastic model. Sensitivity derivatives of flutter dynamic pressure, control stability margins and control effectiveness with respect to structural and control design variables are presented. The performance requirements are utilized by equality constraints which affect the sensitivity derivatives. A gradient-based optimization algorithm is used to minimize an overall cost function. A realistic numerical example of a composite wing with four controls is used to demonstrate the modeling technique, the optimization process, and their accuracy and efficiency.

A visual tracking method based on improved online multiple instance learning

NASA Astrophysics Data System (ADS)

He, Xianhui; Wei, Yuxing

2016-09-01

Visual tracking is an active research topic in the field of computer vision and has been well studied in the last decades. The method based on multiple instance learning (MIL) was recently introduced into the tracking task, which can solve the problem that template drift well. However, MIL method has relatively poor performance in running efficiency and accuracy, due to its strong classifiers updating strategy is complicated, and the speed of the classifiers update is not always same with the change of the targets' appearance. In this paper, we present a novel online effective MIL (EMIL) tracker. A new update strategy for strong classifier was proposed to improve the running efficiency of MIL method. In addition, to improve the t racking accuracy and stability of the MIL method, a new dynamic mechanism for learning rate renewal of the classifier and variable search window were proposed. Experimental results show that our method performs good performance under the complex scenes, with strong stability and high efficiency.

Analytical energy gradient based on spin-free infinite-order Douglas-Kroll-Hess method with local unitary transformation

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

Nakajima, Yuya; Seino, Junji; Nakai, Hiromi, E-mail: nakai@waseda.jp

In this study, the analytical energy gradient for the spin-free infinite-order Douglas-Kroll-Hess (IODKH) method at the levels of the Hartree-Fock (HF), density functional theory (DFT), and second-order Møller-Plesset perturbation theory (MP2) is developed. Furthermore, adopting the local unitary transformation (LUT) scheme for the IODKH method improves the efficiency in computation of the analytical energy gradient. Numerical assessments of the present gradient method are performed at the HF, DFT, and MP2 levels for the IODKH with and without the LUT scheme. The accuracies are examined for diatomic molecules such as hydrogen halides, halogen dimers, coinage metal (Cu, Ag, and Au) halides,more » and coinage metal dimers, and 20 metal complexes, including the fourth–sixth row transition metals. In addition, the efficiencies are investigated for one-, two-, and three-dimensional silver clusters. The numerical results confirm the accuracy and efficiency of the present method.« less

Spike sorting using locality preserving projection with gap statistics and landmark-based spectral clustering.

PubMed

Nguyen, Thanh; Khosravi, Abbas; Creighton, Douglas; Nahavandi, Saeid

2014-12-30

Understanding neural functions requires knowledge from analysing electrophysiological data. The process of assigning spikes of a multichannel signal into clusters, called spike sorting, is one of the important problems in such analysis. There have been various automated spike sorting techniques with both advantages and disadvantages regarding accuracy and computational costs. Therefore, developing spike sorting methods that are highly accurate and computationally inexpensive is always a challenge in the biomedical engineering practice. An automatic unsupervised spike sorting method is proposed in this paper. The method uses features extracted by the locality preserving projection (LPP) algorithm. These features afterwards serve as inputs for the landmark-based spectral clustering (LSC) method. Gap statistics (GS) is employed to evaluate the number of clusters before the LSC can be performed. The proposed LPP-LSC is highly accurate and computationally inexpensive spike sorting approach. LPP spike features are very discriminative; thereby boost the performance of clustering methods. Furthermore, the LSC method exhibits its efficiency when integrated with the cluster evaluator GS. The proposed method's accuracy is approximately 13% superior to that of the benchmark combination between wavelet transformation and superparamagnetic clustering (WT-SPC). Additionally, LPP-LSC computing time is six times less than that of the WT-SPC. LPP-LSC obviously demonstrates a win-win spike sorting solution meeting both accuracy and computational cost criteria. LPP and LSC are linear algorithms that help reduce computational burden and thus their combination can be applied into real-time spike analysis. Copyright © 2014 Elsevier B.V. All rights reserved.

Computation of Nonlinear Hydrodynamic Loads on Floating Wind Turbines Using Fluid-Impulse Theory: Preprint

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

Kok Yan Chan, G.; Sclavounos, P. D.; Jonkman, J.

2015-04-02

A hydrodynamics computer module was developed for the evaluation of the linear and nonlinear loads on floating wind turbines using a new fluid-impulse formulation for coupling with the FAST program. The recently developed formulation allows the computation of linear and nonlinear loads on floating bodies in the time domain and avoids the computationally intensive evaluation of temporal and nonlinear free-surface problems and efficient methods are derived for its computation. The body instantaneous wetted surface is approximated by a panel mesh and the discretization of the free surface is circumvented by using the Green function. The evaluation of the nonlinear loadsmore » is based on explicit expressions derived by the fluid-impulse theory, which can be computed efficiently. Computations are presented of the linear and nonlinear loads on the MIT/NREL tension-leg platform. Comparisons were carried out with frequency-domain linear and second-order methods. Emphasis was placed on modeling accuracy of the magnitude of nonlinear low- and high-frequency wave loads in a sea state. Although fluid-impulse theory is applied to floating wind turbines in this paper, the theory is applicable to other offshore platforms as well.« less

Cascade Classification with Adaptive Feature Extraction for Arrhythmia Detection.

PubMed

Park, Juyoung; Kang, Mingon; Gao, Jean; Kim, Younghoon; Kang, Kyungtae

2017-01-01

Detecting arrhythmia from ECG data is now feasible on mobile devices, but in this environment it is necessary to trade computational efficiency against accuracy. We propose an adaptive strategy for feature extraction that only considers normalized beat morphology features when running in a resource-constrained environment; but in a high-performance environment it takes account of a wider range of ECG features. This process is augmented by a cascaded random forest classifier. Experiments on data from the MIT-BIH Arrhythmia Database showed classification accuracies from 96.59% to 98.51%, which are comparable to state-of-the art methods.

Using high-order polynomial basis in 3-D EM forward modeling based on volume integral equation method

NASA Astrophysics Data System (ADS)

Kruglyakov, Mikhail; Kuvshinov, Alexey

2018-05-01

3-D interpretation of electromagnetic (EM) data of different origin and scale becomes a common practice worldwide. However, 3-D EM numerical simulations (modeling)—a key part of any 3-D EM data analysis—with realistic levels of complexity, accuracy and spatial detail still remains challenging from the computational point of view. We present a novel, efficient 3-D numerical solver based on a volume integral equation (IE) method. The efficiency is achieved by using a high-order polynomial (HOP) basis instead of the zero-order (piecewise constant) basis that is invoked in all routinely used IE-based solvers. We demonstrate that usage of the HOP basis allows us to decrease substantially the number of unknowns (preserving the same accuracy), with corresponding speed increase and memory saving.

Using Markov Chains and Multi-Objective Optimization for Energy-Efficient Context Recognition.

PubMed

Janko, Vito; Luštrek, Mitja

2017-12-29

The recognition of the user's context with wearable sensing systems is a common problem in ubiquitous computing. However, the typically small battery of such systems often makes continuous recognition impractical. The strain on the battery can be reduced if the sensor setting is adapted to each context. We propose a method that efficiently finds near-optimal sensor settings for each context. It uses Markov chains to simulate the behavior of the system in different configurations and the multi-objective genetic algorithm to find a set of good non-dominated configurations. The method was evaluated on three real-life datasets and found good trade-offs between the system's energy expenditure and the system's accuracy. One of the solutions, for example, consumed five-times less energy than the default one, while sacrificing only two percentage points of accuracy.

Distribution system model calibration with big data from AMI and PV inverters

DOE PAGES

Peppanen, Jouni; Reno, Matthew J.; Broderick, Robert J.; ...

2016-03-03

Efficient management and coordination of distributed energy resources with advanced automation schemes requires accurate distribution system modeling and monitoring. Big data from smart meters and photovoltaic (PV) micro-inverters can be leveraged to calibrate existing utility models. This paper presents computationally efficient distribution system parameter estimation algorithms to improve the accuracy of existing utility feeder radial secondary circuit model parameters. The method is demonstrated using a real utility feeder model with advanced metering infrastructure (AMI) and PV micro-inverters, along with alternative parameter estimation approaches that can be used to improve secondary circuit models when limited measurement data is available. Lastly, themore » parameter estimation accuracy is demonstrated for both a three-phase test circuit with typical secondary circuit topologies and single-phase secondary circuits in a real mixed-phase test system.« less

Distribution system model calibration with big data from AMI and PV inverters

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

Peppanen, Jouni; Reno, Matthew J.; Broderick, Robert J.

Efficient management and coordination of distributed energy resources with advanced automation schemes requires accurate distribution system modeling and monitoring. Big data from smart meters and photovoltaic (PV) micro-inverters can be leveraged to calibrate existing utility models. This paper presents computationally efficient distribution system parameter estimation algorithms to improve the accuracy of existing utility feeder radial secondary circuit model parameters. The method is demonstrated using a real utility feeder model with advanced metering infrastructure (AMI) and PV micro-inverters, along with alternative parameter estimation approaches that can be used to improve secondary circuit models when limited measurement data is available. Lastly, themore » parameter estimation accuracy is demonstrated for both a three-phase test circuit with typical secondary circuit topologies and single-phase secondary circuits in a real mixed-phase test system.« less

Improving Spleen Volume Estimation via Computer Assisted Segmentation on Clinically Acquired CT Scans

PubMed Central

Xu, Zhoubing; Gertz, Adam L.; Burke, Ryan P.; Bansal, Neil; Kang, Hakmook; Landman, Bennett A.; Abramson, Richard G.

2016-01-01

OBJECTIVES Multi-atlas fusion is a promising approach for computer-assisted segmentation of anatomical structures. The purpose of this study was to evaluate the accuracy and time efficiency of multi-atlas segmentation for estimating spleen volumes on clinically-acquired CT scans. MATERIALS AND METHODS Under IRB approval, we obtained 294 deidentified (HIPAA-compliant) abdominal CT scans on 78 subjects from a recent clinical trial. We compared five pipelines for obtaining splenic volumes: Pipeline 1–manual segmentation of all scans, Pipeline 2–automated segmentation of all scans, Pipeline 3–automated segmentation of all scans with manual segmentation for outliers on a rudimentary visual quality check, Pipelines 4 and 5–volumes derived from a unidimensional measurement of craniocaudal spleen length and three-dimensional splenic index measurements, respectively. Using Pipeline 1 results as ground truth, the accuracy of Pipelines 2–5 (Dice similarity coefficient [DSC], Pearson correlation, R-squared, and percent and absolute deviation of volume from ground truth) were compared for point estimates of splenic volume and for change in splenic volume over time. Time cost was also compared for Pipelines 1–5. RESULTS Pipeline 3 was dominant in terms of both accuracy and time cost. With a Pearson correlation coefficient of 0.99, average absolute volume deviation 23.7 cm3, and 1 minute per scan, Pipeline 3 yielded the best results. The second-best approach was Pipeline 5, with a Pearson correlation coefficient 0.98, absolute deviation 46.92 cm3, and 1 minute 30 seconds per scan. Manual segmentation (Pipeline 1) required 11 minutes per scan. CONCLUSION A computer-automated segmentation approach with manual correction of outliers generated accurate splenic volumes with reasonable time efficiency. PMID:27519156

PROPOSAL FOR A SIMPLE AND EFFICIENT MONTHLY QUALITY MANAGEMENT PROGRAM ASSESSING THE CONSISTENCY OF ROBOTIC IMAGE-GUIDED SMALL ANIMAL RADIATION SYSTEMS

PubMed Central

Brodin, N. Patrik; Guha, Chandan; Tomé, Wolfgang A.

2015-01-01

Modern pre-clinical radiation therapy (RT) research requires high precision and accurate dosimetry to facilitate the translation of research findings into clinical practice. Several systems are available that provide precise delivery and on-board imaging capabilities, highlighting the need for a quality management program (QMP) to ensure consistent and accurate radiation dose delivery. An ongoing, simple, and efficient QMP for image-guided robotic small animal irradiators used in pre-clinical RT research is described. Protocols were developed and implemented to assess the dose output constancy (based on the AAPM TG-61 protocol), cone-beam computed tomography (CBCT) image quality and object representation accuracy (using a custom-designed imaging phantom), CBCT-guided target localization accuracy and consistency of the CBCT-based dose calculation. To facilitate an efficient read-out and limit the user dependence of the QMP data analysis, a semi-automatic image analysis and data representation program was developed using the technical computing software MATLAB. The results of the first six months experience using the suggested QMP for a Small Animal Radiation Research Platform (SARRP) are presented, with data collected on a bi-monthly basis. The dosimetric output constancy was established to be within ±1 %, the consistency of the image resolution was within ±0.2 mm, the accuracy of CBCT-guided target localization was within ±0.5 mm, and dose calculation consistency was within ±2 s (± 3 %) per treatment beam. Based on these results, this simple quality assurance program allows for the detection of inconsistencies in dosimetric or imaging parameters that are beyond the acceptable variability for a reliable and accurate pre-clinical RT system, on a monthly or bi-monthly basis. PMID:26425981

Proposal for a Simple and Efficient Monthly Quality Management Program Assessing the Consistency of Robotic Image-Guided Small Animal Radiation Systems.

PubMed

Brodin, N Patrik; Guha, Chandan; Tomé, Wolfgang A

2015-11-01

Modern pre-clinical radiation therapy (RT) research requires high precision and accurate dosimetry to facilitate the translation of research findings into clinical practice. Several systems are available that provide precise delivery and on-board imaging capabilities, highlighting the need for a quality management program (QMP) to ensure consistent and accurate radiation dose delivery. An ongoing, simple, and efficient QMP for image-guided robotic small animal irradiators used in pre-clinical RT research is described. Protocols were developed and implemented to assess the dose output constancy (based on the AAPM TG-61 protocol), cone-beam computed tomography (CBCT) image quality and object representation accuracy (using a custom-designed imaging phantom), CBCT-guided target localization accuracy and consistency of the CBCT-based dose calculation. To facilitate an efficient read-out and limit the user dependence of the QMP data analysis, a semi-automatic image analysis and data representation program was developed using the technical computing software MATLAB. The results of the first 6-mo experience using the suggested QMP for a Small Animal Radiation Research Platform (SARRP) are presented, with data collected on a bi-monthly basis. The dosimetric output constancy was established to be within ±1 %, the consistency of the image resolution was within ±0.2 mm, the accuracy of CBCT-guided target localization was within ±0.5 mm, and dose calculation consistency was within ±2 s (±3%) per treatment beam. Based on these results, this simple quality assurance program allows for the detection of inconsistencies in dosimetric or imaging parameters that are beyond the acceptable variability for a reliable and accurate pre-clinical RT system, on a monthly or bi-monthly basis.

Aerodynamic analysis of Pegasus - Computations vs reality

NASA Technical Reports Server (NTRS)

Mendenhall, Michael R.; Lesieutre, Daniel J.; Whittaker, C. H.; Curry, Robert E.; Moulton, Bryan

1993-01-01

Pegasus, a three-stage, air-launched, winged space booster was developed to provide fast and efficient commercial launch services for small satellites. The aerodynamic design and analysis of Pegasus was conducted without benefit of wind tunnel tests using only computational aerodynamic and fluid dynamic methods. Flight test data from the first two operational flights of Pegasus are now available, and they provide an opportunity to validate the accuracy of the predicted pre-flight aerodynamic characteristics. Comparisons of measured and predicted flight characteristics are presented and discussed. Results show that the computational methods provide reasonable aerodynamic design information with acceptable margins. Post-flight analyses illustrate certain areas in which improvements are desired.

Efficient biprediction decision scheme for fast high efficiency video coding encoding

NASA Astrophysics Data System (ADS)

Park, Sang-hyo; Lee, Seung-ho; Jang, Euee S.; Jun, Dongsan; Kang, Jung-Won

2016-11-01

An efficient biprediction decision scheme of high efficiency video coding (HEVC) is proposed for fast-encoding applications. For low-delay video applications, bidirectional prediction can be used to increase compression performance efficiently with previous reference frames. However, at the same time, the computational complexity of the HEVC encoder is significantly increased due to the additional biprediction search. Although a some research has attempted to reduce this complexity, whether the prediction is strongly related to both motion complexity and prediction modes in a coding unit has not yet been investigated. A method that avoids most compression-inefficient search points is proposed so that the computational complexity of the motion estimation process can be dramatically decreased. To determine if biprediction is critical, the proposed method exploits the stochastic correlation of the context of prediction units (PUs): the direction of a PU and the accuracy of a motion vector. Through experimental results, the proposed method showed that the time complexity of biprediction can be reduced to 30% on average, outperforming existing methods in view of encoding time, number of function calls, and memory access.

Classification of breast tissue in mammograms using efficient coding.

PubMed

Costa, Daniel D; Campos, Lúcio F; Barros, Allan K

2011-06-24

Female breast cancer is the major cause of death by cancer in western countries. Efforts in Computer Vision have been made in order to improve the diagnostic accuracy by radiologists. Some methods of lesion diagnosis in mammogram images were developed based in the technique of principal component analysis which has been used in efficient coding of signals and 2D Gabor wavelets used for computer vision applications and modeling biological vision. In this work, we present a methodology that uses efficient coding along with linear discriminant analysis to distinguish between mass and non-mass from 5090 region of interest from mammograms. The results show that the best rates of success reached with Gabor wavelets and principal component analysis were 85.28% and 87.28%, respectively. In comparison, the model of efficient coding presented here reached up to 90.07%. Altogether, the results presented demonstrate that independent component analysis performed successfully the efficient coding in order to discriminate mass from non-mass tissues. In addition, we have observed that LDA with ICA bases showed high predictive performance for some datasets and thus provide significant support for a more detailed clinical investigation.

High-order computational fluid dynamics tools for aircraft design

PubMed Central

Wang, Z. J.

2014-01-01

Most forecasts predict an annual airline traffic growth rate between 4.5 and 5% in the foreseeable future. To sustain that growth, the environmental impact of aircraft cannot be ignored. Future aircraft must have much better fuel economy, dramatically less greenhouse gas emissions and noise, in addition to better performance. Many technical breakthroughs must take place to achieve the aggressive environmental goals set up by governments in North America and Europe. One of these breakthroughs will be physics-based, highly accurate and efficient computational fluid dynamics and aeroacoustics tools capable of predicting complex flows over the entire flight envelope and through an aircraft engine, and computing aircraft noise. Some of these flows are dominated by unsteady vortices of disparate scales, often highly turbulent, and they call for higher-order methods. As these tools will be integral components of a multi-disciplinary optimization environment, they must be efficient to impact design. Ultimately, the accuracy, efficiency, robustness, scalability and geometric flexibility will determine which methods will be adopted in the design process. This article explores these aspects and identifies pacing items. PMID:25024419

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.

An efficient computer based wavelets approximation method to solve Fuzzy boundary value differential equations

NASA Astrophysics Data System (ADS)

Alam Khan, Najeeb; Razzaq, Oyoon Abdul

2016-03-01

In the present work a wavelets approximation method is employed to solve fuzzy boundary value differential equations (FBVDEs). Essentially, a truncated Legendre wavelets series together with the Legendre wavelets operational matrix of derivative are utilized to convert FB- VDE into a simple computational problem by reducing it into a system of fuzzy algebraic linear equations. The capability of scheme is investigated on second order FB- VDE considered under generalized H-differentiability. Solutions are represented graphically showing competency and accuracy of this method.

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

PubMed

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

2013-01-01

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

Transonic Drag Prediction Using an Unstructured Multigrid Solver

NASA Technical Reports Server (NTRS)

Mavriplis, D. J.; Levy, David W.

2001-01-01

This paper summarizes the results obtained with the NSU-3D unstructured multigrid solver for the AIAA Drag Prediction Workshop held in Anaheim, CA, June 2001. The test case for the workshop consists of a wing-body configuration at transonic flow conditions. Flow analyses for a complete test matrix of lift coefficient values and Mach numbers at a constant Reynolds number are performed, thus producing a set of drag polars and drag rise curves which are compared with experimental data. Results were obtained independently by both authors using an identical baseline grid and different refined grids. Most cases were run in parallel on commodity cluster-type machines while the largest cases were run on an SGI Origin machine using 128 processors. The objective of this paper is to study the accuracy of the subject unstructured grid solver for predicting drag in the transonic cruise regime, to assess the efficiency of the method in terms of convergence, cpu time, and memory, and to determine the effects of grid resolution on this predictive ability and its computational efficiency. A good predictive ability is demonstrated over a wide range of conditions, although accuracy was found to degrade for cases at higher Mach numbers and lift values where increasing amounts of flow separation occur. The ability to rapidly compute large numbers of cases at varying flow conditions using an unstructured solver on inexpensive clusters of commodity computers is also demonstrated.

An adaptive proper orthogonal decomposition method for model order reduction of multi-disc rotor system

NASA Astrophysics Data System (ADS)

Jin, Yulin; Lu, Kuan; Hou, Lei; Chen, Yushu

2017-12-01

The proper orthogonal decomposition (POD) method is a main and efficient tool for order reduction of high-dimensional complex systems in many research fields. However, the robustness problem of this method is always unsolved, although there are some modified POD methods which were proposed to solve this problem. In this paper, a new adaptive POD method called the interpolation Grassmann manifold (IGM) method is proposed to address the weakness of local property of the interpolation tangent-space of Grassmann manifold (ITGM) method in a wider parametric region. This method is demonstrated here by a nonlinear rotor system of 33-degrees of freedom (DOFs) with a pair of liquid-film bearings and a pedestal looseness fault. The motion region of the rotor system is divided into two parts: simple motion region and complex motion region. The adaptive POD method is compared with the ITGM method for the large and small spans of parameter in the two parametric regions to present the advantage of this method and disadvantage of the ITGM method. The comparisons of the responses are applied to verify the accuracy and robustness of the adaptive POD method, as well as the computational efficiency is also analyzed. As a result, the new adaptive POD method has a strong robustness and high computational efficiency and accuracy in a wide scope of parameter.

Accurate and efficient seismic data interpolation in the principal frequency wavenumber domain

NASA Astrophysics Data System (ADS)

Wang, Benfeng; Lu, Wenkai

2017-12-01

Seismic data irregularity caused by economic limitations, acquisition environmental constraints or bad trace elimination, can decrease the performance of the below multi-channel algorithms, such as surface-related multiple elimination (SRME), though some can overcome the irregularity defects. Therefore, accurate interpolation to provide the necessary complete data is a pre-requisite, but its wide applications are constrained because of its large computational burden for huge data volume, especially in 3D explorations. For accurate and efficient interpolation, the curvelet transform- (CT) based projection onto convex sets (POCS) method in the principal frequency wavenumber (PFK) domain is introduced. The complex-valued PF components can characterize their original signal with a high accuracy, but are at least half the size, which can help provide a reasonable efficiency improvement. The irregularity of the observed data is transformed into incoherent noise in the PFK domain, and curvelet coefficients may be sparser when CT is performed on the PFK domain data, enhancing the interpolation accuracy. The performance of the POCS-based algorithms using complex-valued CT in the time space (TX), principal frequency space, and PFK domains are compared. Numerical examples on synthetic and field data demonstrate the validity and effectiveness of the proposed method. With less computational burden, the proposed method can achieve a better interpolation result, and it can be easily extended into higher dimensions.

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

Greene, Samuel M., E-mail: samuel.greene@chem.ox.ac.uk; Shan, Xiao, E-mail: xiao.shan@chem.ox.ac.uk; Clary, David C., E-mail: david.clary@chem.ox.ac.u

Semiclassical Transition State Theory (SCTST), a method for calculating rate constants of chemical reactions, offers gains in computational efficiency relative to more accurate quantum scattering methods. In full-dimensional (FD) SCTST, reaction probabilities are calculated from third and fourth potential derivatives along all vibrational degrees of freedom. However, the computational cost of FD SCTST scales unfavorably with system size, which prohibits its application to larger systems. In this study, the accuracy and efficiency of 1-D SCTST, in which only third and fourth derivatives along the reaction mode are used, are investigated in comparison to those of FD SCTST. Potential derivatives aremore » obtained from numerical ab initio Hessian matrix calculations at the MP2/cc-pVTZ level of theory, and Richardson extrapolation is applied to improve the accuracy of these derivatives. Reaction barriers are calculated at the CCSD(T)/cc-pVTZ level. Results from FD SCTST agree with results from previous theoretical and experimental studies when Richardson extrapolation is applied. Results from our implementation of 1-D SCTST, which uses only 4 single-point MP2/cc-pVTZ energy calculations in addition to those for conventional TST, agree with FD results to within a factor of 5 at 250 K. This degree of agreement and the efficiency of the 1-D method suggest its potential as a means of approximating rate constants for systems too large for existing quantum scattering methods.« less

Efficient pairwise RNA structure prediction using probabilistic alignment constraints in Dynalign

PubMed Central

2007-01-01

Background Joint alignment and secondary structure prediction of two RNA sequences can significantly improve the accuracy of the structural predictions. Methods addressing this problem, however, are forced to employ constraints that reduce computation by restricting the alignments and/or structures (i.e. folds) that are permissible. In this paper, a new methodology is presented for the purpose of establishing alignment constraints based on nucleotide alignment and insertion posterior probabilities. Using a hidden Markov model, posterior probabilities of alignment and insertion are computed for all possible pairings of nucleotide positions from the two sequences. These alignment and insertion posterior probabilities are additively combined to obtain probabilities of co-incidence for nucleotide position pairs. A suitable alignment constraint is obtained by thresholding the co-incidence probabilities. The constraint is integrated with Dynalign, a free energy minimization algorithm for joint alignment and secondary structure prediction. The resulting method is benchmarked against the previous version of Dynalign and against other programs for pairwise RNA structure prediction. Results The proposed technique eliminates manual parameter selection in Dynalign and provides significant computational time savings in comparison to prior constraints in Dynalign while simultaneously providing a small improvement in the structural prediction accuracy. Savings are also realized in memory. In experiments over a 5S RNA dataset with average sequence length of approximately 120 nucleotides, the method reduces computation by a factor of 2. The method performs favorably in comparison to other programs for pairwise RNA structure prediction: yielding better accuracy, on average, and requiring significantly lesser computational resources. Conclusion Probabilistic analysis can be utilized in order to automate the determination of alignment constraints for pairwise RNA structure prediction methods in a principled fashion. These constraints can reduce the computational and memory requirements of these methods while maintaining or improving their accuracy of structural prediction. This extends the practical reach of these methods to longer length sequences. The revised Dynalign code is freely available for download. PMID:17445273

A rational interpolation method to compute frequency response

NASA Technical Reports Server (NTRS)

Kenney, Charles; Stubberud, Stephen; Laub, Alan J.

1993-01-01

A rational interpolation method for approximating a frequency response is presented. The method is based on a product formulation of finite differences, thereby avoiding the numerical problems incurred by near-equal-valued subtraction. Also, resonant pole and zero cancellation schemes are developed that increase the accuracy and efficiency of the interpolation method. Selection techniques of interpolation points are also discussed.

Efficiency of using first-generation information during second-generation selection: results of computer simulation.

Treesearch

T.Z. Ye; K.J.S. Jayawickrama; G.R. Johnson

2004-01-01

BLUP (Best linear unbiased prediction) method has been widely used in forest tree improvement programs. Since one of the properties of BLUP is that related individuals contribute to the predictions of each other, it seems logical that integrating data from all generations and from all populations would improve both the precision and accuracy in predicting genetic...

A quick transcribing technique for oral data

USGS Publications Warehouse

Schleicher, David

1972-01-01

Stenographic techniques offer a means for transcribing oral data accurately and efficiently. In one such application, during five Appolo lunar missions, a rough but helpful transcript was produced within minutes. Similarly, lectures, conferences, and audio tapes can be accurately transcribed as promptly as necessary. Computer programs for translating shorthand notes are being developed; they will increase both speed and accuracy of translation.

AP-Cloud: Adaptive particle-in-cloud method for optimal solutions to Vlasov–Poisson equation

DOE PAGES

Wang, Xingyu; Samulyak, Roman; Jiao, Xiangmin; ...

2016-04-19

We propose a new adaptive Particle-in-Cloud (AP-Cloud) method for obtaining optimal numerical solutions to the Vlasov–Poisson equation. Unlike the traditional particle-in-cell (PIC) method, which is commonly used for solving this problem, the AP-Cloud adaptively selects computational nodes or particles to deliver higher accuracy and efficiency when the particle distribution is highly non-uniform. Unlike other adaptive techniques for PIC, our method balances the errors in PDE discretization and Monte Carlo integration, and discretizes the differential operators using a generalized finite difference (GFD) method based on a weighted least square formulation. As a result, AP-Cloud is independent of the geometric shapes ofmore » computational domains and is free of artificial parameters. Efficient and robust implementation is achieved through an octree data structure with 2:1 balance. We analyze the accuracy and convergence order of AP-Cloud theoretically, and verify the method using an electrostatic problem of a particle beam with halo. Here, simulation results show that the AP-Cloud method is substantially more accurate and faster than the traditional PIC, and it is free of artificial forces that are typical for some adaptive PIC techniques.« less

AP-Cloud: Adaptive Particle-in-Cloud method for optimal solutions to Vlasov–Poisson equation

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

Wang, Xingyu; Samulyak, Roman, E-mail: roman.samulyak@stonybrook.edu; Computational Science Initiative, Brookhaven National Laboratory, Upton, NY 11973

We propose a new adaptive Particle-in-Cloud (AP-Cloud) method for obtaining optimal numerical solutions to the Vlasov–Poisson equation. Unlike the traditional particle-in-cell (PIC) method, which is commonly used for solving this problem, the AP-Cloud adaptively selects computational nodes or particles to deliver higher accuracy and efficiency when the particle distribution is highly non-uniform. Unlike other adaptive techniques for PIC, our method balances the errors in PDE discretization and Monte Carlo integration, and discretizes the differential operators using a generalized finite difference (GFD) method based on a weighted least square formulation. As a result, AP-Cloud is independent of the geometric shapes ofmore » computational domains and is free of artificial parameters. Efficient and robust implementation is achieved through an octree data structure with 2:1 balance. We analyze the accuracy and convergence order of AP-Cloud theoretically, and verify the method using an electrostatic problem of a particle beam with halo. Simulation results show that the AP-Cloud method is substantially more accurate and faster than the traditional PIC, and it is free of artificial forces that are typical for some adaptive PIC techniques.« less

AP-Cloud: Adaptive particle-in-cloud method for optimal solutions to Vlasov–Poisson equation

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

Wang, Xingyu; Samulyak, Roman; Jiao, Xiangmin

We propose a new adaptive Particle-in-Cloud (AP-Cloud) method for obtaining optimal numerical solutions to the Vlasov–Poisson equation. Unlike the traditional particle-in-cell (PIC) method, which is commonly used for solving this problem, the AP-Cloud adaptively selects computational nodes or particles to deliver higher accuracy and efficiency when the particle distribution is highly non-uniform. Unlike other adaptive techniques for PIC, our method balances the errors in PDE discretization and Monte Carlo integration, and discretizes the differential operators using a generalized finite difference (GFD) method based on a weighted least square formulation. As a result, AP-Cloud is independent of the geometric shapes ofmore » computational domains and is free of artificial parameters. Efficient and robust implementation is achieved through an octree data structure with 2:1 balance. We analyze the accuracy and convergence order of AP-Cloud theoretically, and verify the method using an electrostatic problem of a particle beam with halo. Here, simulation results show that the AP-Cloud method is substantially more accurate and faster than the traditional PIC, and it is free of artificial forces that are typical for some adaptive PIC techniques.« less

Comparison of two computer programs by predicting turbulent mixing of helium in a ducted supersonic airstream

NASA Technical Reports Server (NTRS)

Pan, Y. S.; Drummond, J. P.; Mcclinton, C. R.

1978-01-01

Two parabolic flow computer programs, SHIP (a finite-difference program) and COMOC (a finite-element program), are used for predicting three-dimensional turbulent reacting flow fields in supersonic combustors. The theoretical foundation of the two computer programs are described, and then the programs are applied to a three-dimensional turbulent mixing experiment. The cold (nonreacting) flow experiment was performed to study the mixing of helium jets with a supersonic airstream in a rectangular duct. Surveys of the flow field at an upstream were used as the initial data by programs; surveys at a downstream station provided comparison to assess program accuracy. Both computer programs predicted the experimental results and data trends reasonably well. However, the comparison between the computations from the two programs indicated that SHIP was more accurate in computation and more efficient in both computer storage and computing time than COMOC.

Memetic computing through bio-inspired heuristics integration with sequential quadratic programming for nonlinear systems arising in different physical models.

PubMed

Raja, Muhammad Asif Zahoor; Kiani, Adiqa Kausar; Shehzad, Azam; Zameer, Aneela

2016-01-01

In this study, bio-inspired computing is exploited for solving system of nonlinear equations using variants of genetic algorithms (GAs) as a tool for global search method hybrid with sequential quadratic programming (SQP) for efficient local search. The fitness function is constructed by defining the error function for systems of nonlinear equations in mean square sense. The design parameters of mathematical models are trained by exploiting the competency of GAs and refinement are carried out by viable SQP algorithm. Twelve versions of the memetic approach GA-SQP are designed by taking a different set of reproduction routines in the optimization process. Performance of proposed variants is evaluated on six numerical problems comprising of system of nonlinear equations arising in the interval arithmetic benchmark model, kinematics, neurophysiology, combustion and chemical equilibrium. Comparative studies of the proposed results in terms of accuracy, convergence and complexity are performed with the help of statistical performance indices to establish the worth of the schemes. Accuracy and convergence of the memetic computing GA-SQP is found better in each case of the simulation study and effectiveness of the scheme is further established through results of statistics based on different performance indices for accuracy and complexity.

Fast group matching for MR fingerprinting reconstruction.

PubMed

Cauley, Stephen F; Setsompop, Kawin; Ma, Dan; Jiang, Yun; Ye, Huihui; Adalsteinsson, Elfar; Griswold, Mark A; Wald, Lawrence L

2015-08-01

MR fingerprinting (MRF) is a technique for quantitative tissue mapping using pseudorandom measurements. To estimate tissue properties such as T1 , T2 , proton density, and B0 , the rapidly acquired data are compared against a large dictionary of Bloch simulations. This matching process can be a very computationally demanding portion of MRF reconstruction. We introduce a fast group matching algorithm (GRM) that exploits inherent correlation within MRF dictionaries to create highly clustered groupings of the elements. During matching, a group specific signature is first used to remove poor matching possibilities. Group principal component analysis (PCA) is used to evaluate all remaining tissue types. In vivo 3 Tesla brain data were used to validate the accuracy of our approach. For a trueFISP sequence with over 196,000 dictionary elements, 1000 MRF samples, and image matrix of 128 × 128, GRM was able to map MR parameters within 2s using standard vendor computational resources. This is an order of magnitude faster than global PCA and nearly two orders of magnitude faster than direct matching, with comparable accuracy (1-2% relative error). The proposed GRM method is a highly efficient model reduction technique for MRF matching and should enable clinically relevant reconstruction accuracy and time on standard vendor computational resources. © 2014 Wiley Periodicals, Inc.

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

NASA Astrophysics Data System (ADS)

Gomez, Hector; Reali, Alessandro; Sangalli, Giancarlo

2014-04-01

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

Advanced Methodology for Simulation of Complex Flows Using Structured Grid Systems

NASA Technical Reports Server (NTRS)

Steinthorsson, Erlendur; Modiano, David

1995-01-01

Detailed simulations of viscous flows in complicated geometries pose a significant challenge to current capabilities of Computational Fluid Dynamics (CFD). To enable routine application of CFD to this class of problems, advanced methodologies are required that employ (a) automated grid generation, (b) adaptivity, (c) accurate discretizations and efficient solvers, and (d) advanced software techniques. Each of these ingredients contributes to increased accuracy, efficiency (in terms of human effort and computer time), and/or reliability of CFD software. In the long run, methodologies employing structured grid systems will remain a viable choice for routine simulation of flows in complex geometries only if genuinely automatic grid generation techniques for structured grids can be developed and if adaptivity is employed more routinely. More research in both these areas is urgently needed.

Bypassing the malfunction junction in warm dense matter simulations

NASA Astrophysics Data System (ADS)

Cangi, Attila; Pribram-Jones, Aurora

2015-03-01

Simulation of warm dense matter requires computational methods that capture both quantum and classical behavior efficiently under high-temperature and high-density conditions. The state-of-the-art approach to model electrons and ions under those conditions is density functional theory molecular dynamics, but this method's computational cost skyrockets as temperatures and densities increase. We propose finite-temperature potential functional theory as an in-principle-exact alternative that suffers no such drawback. In analogy to the zero-temperature theory developed previously, we derive an orbital-free free energy approximation through a coupling-constant formalism. Our density approximation and its associated free energy approximation demonstrate the method's accuracy and efficiency. A.C. has been partially supported by NSF Grant CHE-1112442. A.P.J. is supported by DOE Grant DE-FG02-97ER25308.

The FLAME-slab method for electromagnetic wave scattering in aperiodic slabs

NASA Astrophysics Data System (ADS)

Mansha, Shampy; Tsukerman, Igor; Chong, Y. D.

2017-12-01

The proposed numerical method, "FLAME-slab," solves electromagnetic wave scattering problems for aperiodic slab structures by exploiting short-range regularities in these structures. The computational procedure involves special difference schemes with high accuracy even on coarse grids. These schemes are based on Trefftz approximations, utilizing functions that locally satisfy the governing differential equations, as is done in the Flexible Local Approximation Method (FLAME). Radiation boundary conditions are implemented via Fourier expansions in the air surrounding the slab. When applied to ensembles of slab structures with identical short-range features, such as amorphous or quasicrystalline lattices, the method is significantly more efficient, both in runtime and in memory consumption, than traditional approaches. This efficiency is due to the fact that the Trefftz functions need to be computed only once for the whole ensemble.

Machine learning-based dual-energy CT parametric mapping

NASA Astrophysics Data System (ADS)

Su, Kuan-Hao; Kuo, Jung-Wen; Jordan, David W.; Van Hedent, Steven; Klahr, Paul; Wei, Zhouping; Helo, Rose Al; Liang, Fan; Qian, Pengjiang; Pereira, Gisele C.; Rassouli, Negin; Gilkeson, Robert C.; Traughber, Bryan J.; Cheng, Chee-Wai; Muzic, Raymond F., Jr.

2018-06-01

The aim is to develop and evaluate machine learning methods for generating quantitative parametric maps of effective atomic number (Zeff), relative electron density (ρ e), mean excitation energy (I x ), and relative stopping power (RSP) from clinical dual-energy CT data. The maps could be used for material identification and radiation dose calculation. Machine learning methods of historical centroid (HC), random forest (RF), and artificial neural networks (ANN) were used to learn the relationship between dual-energy CT input data and ideal output parametric maps calculated for phantoms from the known compositions of 13 tissue substitutes. After training and model selection steps, the machine learning predictors were used to generate parametric maps from independent phantom and patient input data. Precision and accuracy were evaluated using the ideal maps. This process was repeated for a range of exposure doses, and performance was compared to that of the clinically-used dual-energy, physics-based method which served as the reference. The machine learning methods generated more accurate and precise parametric maps than those obtained using the reference method. Their performance advantage was particularly evident when using data from the lowest exposure, one-fifth of a typical clinical abdomen CT acquisition. The RF method achieved the greatest accuracy. In comparison, the ANN method was only 1% less accurate but had much better computational efficiency than RF, being able to produce parametric maps in 15 s. Machine learning methods outperformed the reference method in terms of accuracy and noise tolerance when generating parametric maps, encouraging further exploration of the techniques. Among the methods we evaluated, ANN is the most suitable for clinical use due to its combination of accuracy, excellent low-noise performance, and computational efficiency.

Machine learning-based dual-energy CT parametric mapping.

PubMed

Su, Kuan-Hao; Kuo, Jung-Wen; Jordan, David W; Van Hedent, Steven; Klahr, Paul; Wei, Zhouping; Al Helo, Rose; Liang, Fan; Qian, Pengjiang; Pereira, Gisele C; Rassouli, Negin; Gilkeson, Robert C; Traughber, Bryan J; Cheng, Chee-Wai; Muzic, Raymond F

2018-06-08

The aim is to develop and evaluate machine learning methods for generating quantitative parametric maps of effective atomic number (Z eff ), relative electron density (ρ e ), mean excitation energy (I x ), and relative stopping power (RSP) from clinical dual-energy CT data. The maps could be used for material identification and radiation dose calculation. Machine learning methods of historical centroid (HC), random forest (RF), and artificial neural networks (ANN) were used to learn the relationship between dual-energy CT input data and ideal output parametric maps calculated for phantoms from the known compositions of 13 tissue substitutes. After training and model selection steps, the machine learning predictors were used to generate parametric maps from independent phantom and patient input data. Precision and accuracy were evaluated using the ideal maps. This process was repeated for a range of exposure doses, and performance was compared to that of the clinically-used dual-energy, physics-based method which served as the reference. The machine learning methods generated more accurate and precise parametric maps than those obtained using the reference method. Their performance advantage was particularly evident when using data from the lowest exposure, one-fifth of a typical clinical abdomen CT acquisition. The RF method achieved the greatest accuracy. In comparison, the ANN method was only 1% less accurate but had much better computational efficiency than RF, being able to produce parametric maps in 15 s. Machine learning methods outperformed the reference method in terms of accuracy and noise tolerance when generating parametric maps, encouraging further exploration of the techniques. Among the methods we evaluated, ANN is the most suitable for clinical use due to its combination of accuracy, excellent low-noise performance, and computational efficiency.

Joint Source Location and Focal Mechanism Inversion: efficiency, accuracy and applications

NASA Astrophysics Data System (ADS)

Liang, C.; Yu, Y.

2017-12-01

The analysis of induced seismicity has become a common practice to evaluate the results of hydraulic fracturing treatment. Liang et al (2016) proposed a joint Source Scanning Algorithms (jSSA for short) to obtain microseismic events and focal mechanisms simultaneously. The jSSA is superior over traditional SSA in many aspects, but the computation cost is too significant to be applied in real time monitoring. In this study, we have developed several scanning schemas to reduce computation time. A multi-stage scanning schema is proved to be able to improve the efficiency significantly while also retain its accuracy. A series of tests have been carried out by using both real field data and synthetic data to evaluate the accuracy of the method and its dependence on noise level, source depths, focal mechanisms and other factors. The surface-based arrays have better constraints on horizontal location errors (<20m) and angular errors of P axes (within 10 degree, for S/N>0.5). For sources with varying rakes, dips, strikes and depths, the errors are mostly controlled by the partition of positive and negative polarities in different quadrants. More evenly partitioned polarities in different quadrants yield better results in both locations and focal mechanisms. Nevertheless, even with bad resolutions for some FMs, the optimized jSSA method can still improve location accuracies significantly. Based on much more densely distributed events and focal mechanisms, a gridded stress inversion is conducted to get a evenly distributed stress field. The full potential of the jSSA has yet to be explored in different directions, especially in earthquake seismology as seismic array becoming incleasingly dense.

An emulator for minimizing finite element analysis implementation resources

NASA Technical Reports Server (NTRS)

Melosh, R. J.; Utku, S.; Salama, M.; Islam, M.

1982-01-01

A finite element analysis emulator providing a basis for efficiently establishing an optimum computer implementation strategy when many calculations are involved is described. The SCOPE emulator determines computer resources required as a function of the structural model, structural load-deflection equation characteristics, the storage allocation plan, and computer hardware capabilities. Thereby, it provides data for trading analysis implementation options to arrive at a best strategy. The models contained in SCOPE lead to micro-operation computer counts of each finite element operation as well as overall computer resource cost estimates. Application of SCOPE to the Memphis-Arkansas bridge analysis provides measures of the accuracy of resource assessments. Data indicate that predictions are within 17.3 percent for calculation times and within 3.2 percent for peripheral storage resources for the ELAS code.

EMSAR: estimation of transcript abundance from RNA-seq data by mappability-based segmentation and reclustering.

PubMed

Lee, Soohyun; Seo, Chae Hwa; Alver, Burak Han; Lee, Sanghyuk; Park, Peter J

2015-09-03

RNA-seq has been widely used for genome-wide expression profiling. RNA-seq data typically consists of tens of millions of short sequenced reads from different transcripts. However, due to sequence similarity among genes and among isoforms, the source of a given read is often ambiguous. Existing approaches for estimating expression levels from RNA-seq reads tend to compromise between accuracy and computational cost. We introduce a new approach for quantifying transcript abundance from RNA-seq data. EMSAR (Estimation by Mappability-based Segmentation And Reclustering) groups reads according to the set of transcripts to which they are mapped and finds maximum likelihood estimates using a joint Poisson model for each optimal set of segments of transcripts. The method uses nearly all mapped reads, including those mapped to multiple genes. With an efficient transcriptome indexing based on modified suffix arrays, EMSAR minimizes the use of CPU time and memory while achieving accuracy comparable to the best existing methods. EMSAR is a method for quantifying transcripts from RNA-seq data with high accuracy and low computational cost. EMSAR is available at https://github.com/parklab/emsar.

A modified adjoint-based grid adaptation and error correction method for unstructured grid

NASA Astrophysics Data System (ADS)

Cui, Pengcheng; Li, Bin; Tang, Jing; Chen, Jiangtao; Deng, Youqi

2018-05-01

Grid adaptation is an important strategy to improve the accuracy of output functions (e.g. drag, lift, etc.) in computational fluid dynamics (CFD) analysis and design applications. This paper presents a modified robust grid adaptation and error correction method for reducing simulation errors in integral outputs. The procedure is based on discrete adjoint optimization theory in which the estimated global error of output functions can be directly related to the local residual error. According to this relationship, local residual error contribution can be used as an indicator in a grid adaptation strategy designed to generate refined grids for accurately estimating the output functions. This grid adaptation and error correction method is applied to subsonic and supersonic simulations around three-dimensional configurations. Numerical results demonstrate that the sensitive grids to output functions are detected and refined after grid adaptation, and the accuracy of output functions is obviously improved after error correction. The proposed grid adaptation and error correction method is shown to compare very favorably in terms of output accuracy and computational efficiency relative to the traditional featured-based grid adaptation.

Piece-wise quadratic approximations of arbitrary error functions for fast and robust machine learning.

PubMed

Gorban, A N; Mirkes, E M; Zinovyev, A

2016-12-01

Most of machine learning approaches have stemmed from the application of minimizing the mean squared distance principle, based on the computationally efficient quadratic optimization methods. However, when faced with high-dimensional and noisy data, the quadratic error functionals demonstrated many weaknesses including high sensitivity to contaminating factors and dimensionality curse. Therefore, a lot of recent applications in machine learning exploited properties of non-quadratic error functionals based on L 1 norm or even sub-linear potentials corresponding to quasinorms L p (0

Approximate, computationally efficient online learning in Bayesian spiking neurons.

PubMed

Kuhlmann, Levin; Hauser-Raspe, Michael; Manton, Jonathan H; Grayden, David B; Tapson, Jonathan; van Schaik, André

2014-03-01

Bayesian spiking neurons (BSNs) provide a probabilistic interpretation of how neurons perform inference and learning. Online learning in BSNs typically involves parameter estimation based on maximum-likelihood expectation-maximization (ML-EM) which is computationally slow and limits the potential of studying networks of BSNs. An online learning algorithm, fast learning (FL), is presented that is more computationally efficient than the benchmark ML-EM for a fixed number of time steps as the number of inputs to a BSN increases (e.g., 16.5 times faster run times for 20 inputs). Although ML-EM appears to converge 2.0 to 3.6 times faster than FL, the computational cost of ML-EM means that ML-EM takes longer to simulate to convergence than FL. FL also provides reasonable convergence performance that is robust to initialization of parameter estimates that are far from the true parameter values. However, parameter estimation depends on the range of true parameter values. Nevertheless, for a physiologically meaningful range of parameter values, FL gives very good average estimation accuracy, despite its approximate nature. The FL algorithm therefore provides an efficient tool, complementary to ML-EM, for exploring BSN networks in more detail in order to better understand their biological relevance. Moreover, the simplicity of the FL algorithm means it can be easily implemented in neuromorphic VLSI such that one can take advantage of the energy-efficient spike coding of BSNs.

Efficient computation of turbulent flow in ribbed passages using a non-overlapping near-wall domain decomposition method

NASA Astrophysics Data System (ADS)

Jones, Adam; Utyuzhnikov, Sergey

2017-08-01

Turbulent flow in a ribbed channel is studied using an efficient near-wall domain decomposition (NDD) method. The NDD approach is formulated by splitting the computational domain into an inner and outer region, with an interface boundary between the two. The computational mesh covers the outer region, and the flow in this region is solved using the open-source CFD code Code_Saturne with special boundary conditions on the interface boundary, called interface boundary conditions (IBCs). The IBCs are of Robin type and incorporate the effect of the inner region on the flow in the outer region. IBCs are formulated in terms of the distance from the interface boundary to the wall in the inner region. It is demonstrated that up to 90% of the region between the ribs in the ribbed passage can be removed from the computational mesh with an error on the friction factor within 2.5%. In addition, computations with NDD are faster than computations based on low Reynolds number (LRN) models by a factor of five. Different rib heights can be studied with the same mesh in the outer region without affecting the accuracy of the friction factor. This is tested with six different rib heights in an example of a design optimisation study. It is found that the friction factors computed with NDD are almost identical to the fully-resolved results. When used for inverse problems, NDD is considerably more efficient than LRN computations because only one computation needs to be performed and only one mesh needs to be generated.

Diagnostic accuracy of ovarian cyst segmentation in B-mode ultrasound images

NASA Astrophysics Data System (ADS)

Bibicu, Dorin; Moraru, Luminita; Stratulat (Visan), Mirela

2013-11-01

Cystic and polycystic ovary syndrome is an endocrine disorder affecting women in the fertile age. The Moore Neighbor Contour, Watershed Method, Active Contour Models, and a recent method based on Active Contour Model with Selective Binary and Gaussian Filtering Regularized Level Set (ACM&SBGFRLS) techniques were used in this paper to detect the border of the ovarian cyst from echography images. In order to analyze the efficiency of the segmentation an original computer aided software application developed in MATLAB was proposed. The results of the segmentation were compared and evaluated against the reference contour manually delineated by a sonography specialist. Both the accuracy and time complexity of the segmentation tasks are investigated. The Fréchet distance (FD) as a similarity measure between two curves and the area error rate (AER) parameter as the difference between the segmented areas are used as estimators of the segmentation accuracy. In this study, the most efficient methods for the segmentation of the ovarian were analyzed cyst. The research was carried out on a set of 34 ultrasound images of the ovarian cyst.

Acoustic environmental accuracy requirements for response determination

NASA Technical Reports Server (NTRS)

Pettitt, M. R.

1983-01-01

A general purpose computer program was developed for the prediction of vehicle interior noise. This program, named VIN, has both modal and statistical energy analysis capabilities for structural/acoustic interaction analysis. The analytic models and their computer implementation were verified through simple test cases with well-defined experimental results. The model was also applied in a space shuttle payload bay launch acoustics prediction study. The computer program processes large and small problems with equal efficiency because all arrays are dynamically sized by program input variables at run time. A data base is built and easily accessed for design studies. The data base significantly reduces the computational costs of such studies by allowing the reuse of the still-valid calculated parameters of previous iterations.

Single-step reinitialization and extending algorithms for level-set based multi-phase flow simulations

NASA Astrophysics Data System (ADS)

Fu, Lin; Hu, Xiangyu Y.; Adams, Nikolaus A.

2017-12-01

We propose efficient single-step formulations for reinitialization and extending algorithms, which are critical components of level-set based interface-tracking methods. The level-set field is reinitialized with a single-step (non iterative) "forward tracing" algorithm. A minimum set of cells is defined that describes the interface, and reinitialization employs only data from these cells. Fluid states are extrapolated or extended across the interface by a single-step "backward tracing" algorithm. Both algorithms, which are motivated by analogy to ray-tracing, avoid multiple block-boundary data exchanges that are inevitable for iterative reinitialization and extending approaches within a parallel-computing environment. The single-step algorithms are combined with a multi-resolution conservative sharp-interface method and validated by a wide range of benchmark test cases. We demonstrate that the proposed reinitialization method achieves second-order accuracy in conserving the volume of each phase. The interface location is invariant to reapplication of the single-step reinitialization. Generally, we observe smaller absolute errors than for standard iterative reinitialization on the same grid. The computational efficiency is higher than for the standard and typical high-order iterative reinitialization methods. We observe a 2- to 6-times efficiency improvement over the standard method for serial execution. The proposed single-step extending algorithm, which is commonly employed for assigning data to ghost cells with ghost-fluid or conservative interface interaction methods, shows about 10-times efficiency improvement over the standard method while maintaining same accuracy. Despite their simplicity, the proposed algorithms offer an efficient and robust alternative to iterative reinitialization and extending methods for level-set based multi-phase simulations.

Improved sonic-box computer program for calculating transonic aerodynamic loads on oscillating wings with thickness

NASA Technical Reports Server (NTRS)

Ruo, S. Y.

1978-01-01

A computer program was developed to account approximately for the effects of finite wing thickness in transonic potential flow over an oscillation wing of finite span. The program is based on the original sonic box computer program for planar wing which was extended to account for the effect of wing thickness. Computational efficiency and accuracy were improved and swept trailing edges were accounted for. Account for the nonuniform flow caused by finite thickness was made by application of the local linearization concept with appropriate coordinate transformation. A brief description of each computer routine and the applications of cubic spline and spline surface data fitting techniques used in the program are given, and the method of input was shown in detail. Sample calculations as well as a complete listing of the computer program listing are presented.

Multiresolution molecular mechanics: Implementation and efficiency

NASA Astrophysics Data System (ADS)

Biyikli, Emre; To, Albert C.

2017-01-01

Atomistic/continuum coupling methods combine accurate atomistic methods and efficient continuum methods to simulate the behavior of highly ordered crystalline systems. Coupled methods utilize the advantages of both approaches to simulate systems at a lower computational cost, while retaining the accuracy associated with atomistic methods. Many concurrent atomistic/continuum coupling methods have been proposed in the past; however, their true computational efficiency has not been demonstrated. The present work presents an efficient implementation of a concurrent coupling method called the Multiresolution Molecular Mechanics (MMM) for serial, parallel, and adaptive analysis. First, we present the features of the software implemented along with the associated technologies. The scalability of the software implementation is demonstrated, and the competing effects of multiscale modeling and parallelization are discussed. Then, the algorithms contributing to the efficiency of the software are presented. These include algorithms for eliminating latent ghost atoms from calculations and measurement-based dynamic balancing of parallel workload. The efficiency improvements made by these algorithms are demonstrated by benchmark tests. The efficiency of the software is found to be on par with LAMMPS, a state-of-the-art Molecular Dynamics (MD) simulation code, when performing full atomistic simulations. Speed-up of the MMM method is shown to be directly proportional to the reduction of the number of the atoms visited in force computation. Finally, an adaptive MMM analysis on a nanoindentation problem, containing over a million atoms, is performed, yielding an improvement of 6.3-8.5 times in efficiency, over the full atomistic MD method. For the first time, the efficiency of a concurrent atomistic/continuum coupling method is comprehensively investigated and demonstrated.

An Exact Efficiency Formula for Holographic Heat Engines

DOE PAGES

Johnson, Clifford

2016-03-31

Further consideration is given to the efficiency of a class of black hole heat engines that perform mechanical work via the pdV terms present in the First Law of extended gravitational thermodynamics. It is noted that, when the engine cycle is a rectangle with sides parallel to the (p,V) axes, the efficiency can be written simply in terms of the mass of the black hole evaluated at the corners. Since an arbitrary cycle can be approximated to any desired accuracy by a tiling of rectangles, a general geometrical algorithm for computing the efficiency of such a cycle follows. Finally, amore » simple generalization of the algorithm renders it applicable to broader classes of heat engine, even beyond the black hole context.« less

Brain CT image similarity retrieval method based on uncertain location graph.

PubMed

Pan, Haiwei; Li, Pengyuan; Li, Qing; Han, Qilong; Feng, Xiaoning; Gao, Linlin

2014-03-01

A number of brain computed tomography (CT) images stored in hospitals that contain valuable information should be shared to support computer-aided diagnosis systems. Finding the similar brain CT images from the brain CT image database can effectively help doctors diagnose based on the earlier cases. However, the similarity retrieval for brain CT images requires much higher accuracy than the general images. In this paper, a new model of uncertain location graph (ULG) is presented for brain CT image modeling and similarity retrieval. According to the characteristics of brain CT image, we propose a novel method to model brain CT image to ULG based on brain CT image texture. Then, a scheme for ULG similarity retrieval is introduced. Furthermore, an effective index structure is applied to reduce the searching time. Experimental results reveal that our method functions well on brain CT images similarity retrieval with higher accuracy and efficiency.

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

NASA Astrophysics Data System (ADS)

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

2018-07-01

In this paper we analyze the accuracy and efficiency of several radiative transfer models for inferring cloud parameters from radiances measured by the Earth Polychromatic Imaging Camera (EPIC) on board the Deep Space Climate Observatory (DSCOVR). The radiative transfer models are the exact discrete ordinate and matrix operator methods with matrix exponential, and the approximate asymptotic and equivalent Lambertian cloud models. To deal with the computationally expensive radiative transfer calculations, several acceleration techniques such as, for example, the telescoping technique, the method of false discrete ordinate, the correlated k-distribution method and the principal component analysis (PCA) are used. We found that, for the EPIC oxygen A-band absorption channel at 764 nm, the exact models using the correlated k-distribution in conjunction with PCA yield an accuracy better than 1.5% and a computation time of 18 s for radiance calculations at 5 viewing zenith angles.

Hybrid Steered Molecular Dynamics-Docking: An Efficient Solution to the Problem of Ranking Inhibitor Affinities Against a Flexible Drug Target.

PubMed

Whalen, Katie L; Chang, Kevin M; Spies, M Ashley

2011-05-16

Existing techniques which attempt to predict the affinity of protein-ligand interactions have demonstrated a direct relationship between computational cost and prediction accuracy. We present here the first application of a hybrid ensemble docking and steered molecular dynamics scheme (with a minimized computational cost), which achieves a binding affinity rank-ordering of ligands with a Spearman correlation coefficient of 0.79 and an RMS error of 0.7 kcal/mol. The scheme, termed Flexible Enzyme Receptor Method by Steered Molecular Dynamics (FERM-SMD), is applied to an in-house collection of 17 validated ligands of glutamate racemase. The resulting improved accuracy in affinity prediction allows elucidation of the key structural components of a heretofore unreported glutamate racemase inhibitor (K(i) = 9 µM), a promising new lead in the development of antibacterial therapeutics.

Calm water resistance prediction of a bulk carrier using Reynolds averaged Navier-Stokes based solver

NASA Astrophysics Data System (ADS)

Rahaman, Md. Mashiur; Islam, Hafizul; Islam, Md. Tariqul; Khondoker, Md. Reaz Hasan

2017-12-01

Maneuverability and resistance prediction with suitable accuracy is essential for optimum ship design and propulsion power prediction. This paper aims at providing some of the maneuverability characteristics of a Japanese bulk carrier model, JBC in calm water using a computational fluid dynamics solver named SHIP Motion and OpenFOAM. The solvers are based on the Reynolds average Navier-Stokes method (RaNS) and solves structured grid using the Finite Volume Method (FVM). This paper comprises the numerical results of calm water test for the JBC model with available experimental results. The calm water test results include the total drag co-efficient, average sinkage, and trim data. Visualization data for pressure distribution on the hull surface and free water surface have also been included. The paper concludes that the presented solvers predict the resistance and maneuverability characteristics of the bulk carrier with reasonable accuracy utilizing minimum computational resources.

Optimal variable-grid finite-difference modeling for porous media

NASA Astrophysics Data System (ADS)

Liu, Xinxin; Yin, Xingyao; Li, Haishan

2014-12-01

Numerical modeling of poroelastic waves by the finite-difference (FD) method is more expensive than that of acoustic or elastic waves. To improve the accuracy and computational efficiency of seismic modeling, variable-grid FD methods have been developed. In this paper, we derived optimal staggered-grid finite difference schemes with variable grid-spacing and time-step for seismic modeling in porous media. FD operators with small grid-spacing and time-step are adopted for low-velocity or small-scale geological bodies, while FD operators with big grid-spacing and time-step are adopted for high-velocity or large-scale regions. The dispersion relations of FD schemes were derived based on the plane wave theory, then the FD coefficients were obtained using the Taylor expansion. Dispersion analysis and modeling results demonstrated that the proposed method has higher accuracy with lower computational cost for poroelastic wave simulation in heterogeneous reservoirs.

Optimization of Time-Dependent Particle Tracing Using Tetrahedral Decomposition

NASA Technical Reports Server (NTRS)

Kenwright, David; Lane, David

1995-01-01

An efficient algorithm is presented for computing particle paths, streak lines and time lines in time-dependent flows with moving curvilinear grids. The integration, velocity interpolation and step-size control are all performed in physical space which avoids the need to transform the velocity field into computational space. This leads to higher accuracy because there are no Jacobian matrix approximations or expensive matrix inversions. Integration accuracy is maintained using an adaptive step-size control scheme which is regulated by the path line curvature. The problem of cell-searching, point location and interpolation in physical space is simplified by decomposing hexahedral cells into tetrahedral cells. This enables the point location to be done analytically and substantially faster than with a Newton-Raphson iterative method. Results presented show this algorithm is up to six times faster than particle tracers which operate on hexahedral cells yet produces almost identical particle trajectories.

Combined diagnostic performance of coronary computed tomography angiography and computed tomography derived fractional flow reserve for the evaluation of myocardial ischemia: A meta-analysis.

PubMed

Tan, Xiao Wei; Zheng, Qishi; Shi, Luming; Gao, Fei; Allen, John Carson; Coenen, Adriaan; Baumann, Stefan; Schoepf, U Joseph; Kassab, Ghassan S; Lim, Soo Teik; Wong, Aaron Sung Lung; Tan, Jack Wei Chieh; Yeo, Khung Keong; Chin, Chee Tang; Ho, Kay Woon; Tan, Swee Yaw; Chua, Terrance Siang Jin; Chan, Edwin Shih Yen; Tan, Ru San; Zhong, Liang

2017-06-01

To evaluate the combined diagnostic accuracy of coronary computed tomography angiography (CCTA) and computed tomography derived fractional flow reserve (FFRct) in patients with suspected or known coronary artery disease (CAD). PubMed, The Cochrane library, Embase and OpenGray were searched to identify studies comparing diagnostic accuracy of CCTA and FFRct. Diagnostic test measurements of FFRct were either extracted directly from the published papers or calculated from provided information. Bivariate models were conducted to synthesize the diagnostic performance of combined CCTA and FFRct at both "per-vessel" and "per-patient" levels. 7 articles were included for analysis. The combined diagnostic outcomes from "both positive" strategy, i.e. a subject was considered as "positive" only when both CCTA and FFRct were "positive", demonstrated relative high specificity (per-vessel: 0.91; per-patient: 0.81), high positive likelihood ratio (LR+, per-vessel: 7.93; per-patient: 4.26), high negative likelihood ratio (LR-, per-vessel: 0.30; per patient: 0.24) and high accuracy (per-vessel: 0.91; per-patient: 0.81) while "either positive" strategy, i.e. a subject was considered as "positive" when either CCTA or FFRct was "positive", demonstrated relative high sensitivity (per-vessel: 0.97; per-patient: 0.98), low LR+ (per-vessel: 1.50; per-patient: 1.17), low LR- (per-vessel: 0.07; per-patient: 0.09) and low accuracy (per-vessel: 0.57; per-patient: 0.54). "Both positive" strategy showed better diagnostic performance to rule in patients with non-significant stenosis compared to "either positive" strategy, as it efficiently reduces the proportion of testing false positive subjects. Copyright © 2017 Elsevier B.V. All rights reserved.

A comparison of different algorithms for phasing haplotypes using Holstein cattle genotypes and pedigree data.

PubMed

Miar, Younes; Sargolzaei, Mehdi; Schenkel, Flavio S

2017-04-01

Phasing genotypes to haplotypes is becoming increasingly important due to its applications in the study of diseases, population and evolutionary genetics, imputation, and so on. Several studies have focused on the development of computational methods that infer haplotype phase from population genotype data. The aim of this study was to compare phasing algorithms implemented in Beagle, Findhap, FImpute, Impute2, and ShapeIt2 software using 50k and 777k (HD) genotyping data. Six scenarios were considered: no-parents, sire-progeny pairs, sire-dam-progeny trios, each with and without pedigree information in Holstein cattle. Algorithms were compared with respect to their phasing accuracy and computational efficiency. In the studied population, Beagle and FImpute were more accurate than other phasing algorithms. Across scenarios, phasing accuracies for Beagle and FImpute were 99.49-99.90% and 99.44-99.99% for 50k, respectively, and 99.90-99.99% and 99.87-99.99% for HD, respectively. Generally, FImpute resulted in higher accuracy when genotypic information of at least one parent was available. In the absence of parental genotypes and pedigree information, Beagle and Impute2 (with double the default number of states) were slightly more accurate than FImpute. Findhap gave high phasing accuracy when parents' genotypes and pedigree information were available. In terms of computing time, Findhap was the fastest algorithm followed by FImpute. FImpute was 30 to 131, 87 to 786, and 353 to 1,400 times faster across scenarios than Beagle, ShapeIt2, and Impute2, respectively. In summary, FImpute and Beagle were the most accurate phasing algorithms. Moreover, the low computational requirement of FImpute makes it an attractive algorithm for phasing genotypes of large livestock populations. Copyright © 2017 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

Efficient HIK SVM learning for image classification.

PubMed

Wu, Jianxin

2012-10-01

Histograms are used in almost every aspect of image processing and computer vision, from visual descriptors to image representations. Histogram intersection kernel (HIK) and support vector machine (SVM) classifiers are shown to be very effective in dealing with histograms. This paper presents contributions concerning HIK SVM for image classification. First, we propose intersection coordinate descent (ICD), a deterministic and scalable HIK SVM solver. ICD is much faster than, and has similar accuracies to, general purpose SVM solvers and other fast HIK SVM training methods. We also extend ICD to the efficient training of a broader family of kernels. Second, we show an important empirical observation that ICD is not sensitive to the C parameter in SVM, and we provide some theoretical analyses to explain this observation. ICD achieves high accuracies in many problems, using its default parameters. This is an attractive property for practitioners, because many image processing tasks are too large to choose SVM parameters using cross-validation.

Using Markov Chains and Multi-Objective Optimization for Energy-Efficient Context Recognition †

PubMed Central

Janko, Vito

2017-01-01

The recognition of the user’s context with wearable sensing systems is a common problem in ubiquitous computing. However, the typically small battery of such systems often makes continuous recognition impractical. The strain on the battery can be reduced if the sensor setting is adapted to each context. We propose a method that efficiently finds near-optimal sensor settings for each context. It uses Markov chains to simulate the behavior of the system in different configurations and the multi-objective genetic algorithm to find a set of good non-dominated configurations. The method was evaluated on three real-life datasets and found good trade-offs between the system’s energy expenditure and the system’s accuracy. One of the solutions, for example, consumed five-times less energy than the default one, while sacrificing only two percentage points of accuracy. PMID:29286301

Corruption of accuracy and efficiency of Markov chain Monte Carlo simulation by inaccurate numerical implementation of conceptual hydrologic models

NASA Astrophysics Data System (ADS)

Schoups, G.; Vrugt, J. A.; Fenicia, F.; van de Giesen, N. C.

2010-10-01

Conceptual rainfall-runoff models have traditionally been applied without paying much attention to numerical errors induced by temporal integration of water balance dynamics. Reliance on first-order, explicit, fixed-step integration methods leads to computationally cheap simulation models that are easy to implement. Computational speed is especially desirable for estimating parameter and predictive uncertainty using Markov chain Monte Carlo (MCMC) methods. Confirming earlier work of Kavetski et al. (2003), we show here that the computational speed of first-order, explicit, fixed-step integration methods comes at a cost: for a case study with a spatially lumped conceptual rainfall-runoff model, it introduces artificial bimodality in the marginal posterior parameter distributions, which is not present in numerically accurate implementations of the same model. The resulting effects on MCMC simulation include (1) inconsistent estimates of posterior parameter and predictive distributions, (2) poor performance and slow convergence of the MCMC algorithm, and (3) unreliable convergence diagnosis using the Gelman-Rubin statistic. We studied several alternative numerical implementations to remedy these problems, including various adaptive-step finite difference schemes and an operator splitting method. Our results show that adaptive-step, second-order methods, based on either explicit finite differencing or operator splitting with analytical integration, provide the best alternative for accurate and efficient MCMC simulation. Fixed-step or adaptive-step implicit methods may also be used for increased accuracy, but they cannot match the efficiency of adaptive-step explicit finite differencing or operator splitting. Of the latter two, explicit finite differencing is more generally applicable and is preferred if the individual hydrologic flux laws cannot be integrated analytically, as the splitting method then loses its advantage.

An efficient method for computing unsteady transonic aerodynamics of swept wings with control surfaces

NASA Technical Reports Server (NTRS)

Liu, D. D.; Kao, Y. F.; Fung, K. Y.

1989-01-01

A transonic equivalent strip (TES) method was further developed for unsteady flow computations of arbitrary wing planforms. The TES method consists of two consecutive correction steps to a given nonlinear code such as LTRAN2; namely, the chordwise mean flow correction and the spanwise phase correction. The computation procedure requires direct pressure input from other computed or measured data. Otherwise, it does not require airfoil shape or grid generation for given planforms. To validate the computed results, four swept wings of various aspect ratios, including those with control surfaces, are selected as computational examples. Overall trends in unsteady pressures are established with those obtained by XTRAN3S codes, Isogai's full potential code and measured data by NLR and RAE. In comparison with these methods, the TES has achieved considerable saving in computer time and reasonable accuracy which suggests immediate industrial applications.

Computationally efficient target classification in multispectral image data with Deep Neural Networks

NASA Astrophysics Data System (ADS)

Cavigelli, Lukas; Bernath, Dominic; Magno, Michele; Benini, Luca

2016-10-01

Detecting and classifying targets in video streams from surveillance cameras is a cumbersome, error-prone and expensive task. Often, the incurred costs are prohibitive for real-time monitoring. This leads to data being stored locally or transmitted to a central storage site for post-incident examination. The required communication links and archiving of the video data are still expensive and this setup excludes preemptive actions to respond to imminent threats. An effective way to overcome these limitations is to build a smart camera that analyzes the data on-site, close to the sensor, and transmits alerts when relevant video sequences are detected. Deep neural networks (DNNs) have come to outperform humans in visual classifications tasks and are also performing exceptionally well on other computer vision tasks. The concept of DNNs and Convolutional Networks (ConvNets) can easily be extended to make use of higher-dimensional input data such as multispectral data. We explore this opportunity in terms of achievable accuracy and required computational effort. To analyze the precision of DNNs for scene labeling in an urban surveillance scenario we have created a dataset with 8 classes obtained in a field experiment. We combine an RGB camera with a 25-channel VIS-NIR snapshot sensor to assess the potential of multispectral image data for target classification. We evaluate several new DNNs, showing that the spectral information fused together with the RGB frames can be used to improve the accuracy of the system or to achieve similar accuracy with a 3x smaller computation effort. We achieve a very high per-pixel accuracy of 99.1%. Even for scarcely occurring, but particularly interesting classes, such as cars, 75% of the pixels are labeled correctly with errors occurring only around the border of the objects. This high accuracy was obtained with a training set of only 30 labeled images, paving the way for fast adaptation to various application scenarios.

Evaluation of accelerometer based multi-sensor versus single-sensor activity recognition systems.

PubMed

Gao, Lei; Bourke, A K; Nelson, John

2014-06-01

Physical activity has a positive impact on people's well-being and it had been shown to decrease the occurrence of chronic diseases in the older adult population. To date, a substantial amount of research studies exist, which focus on activity recognition using inertial sensors. Many of these studies adopt a single sensor approach and focus on proposing novel features combined with complex classifiers to improve the overall recognition accuracy. In addition, the implementation of the advanced feature extraction algorithms and the complex classifiers exceed the computing ability of most current wearable sensor platforms. This paper proposes a method to adopt multiple sensors on distributed body locations to overcome this problem. The objective of the proposed system is to achieve higher recognition accuracy with "light-weight" signal processing algorithms, which run on a distributed computing based sensor system comprised of computationally efficient nodes. For analysing and evaluating the multi-sensor system, eight subjects were recruited to perform eight normal scripted activities in different life scenarios, each repeated three times. Thus a total of 192 activities were recorded resulting in 864 separate annotated activity states. The methods for designing such a multi-sensor system required consideration of the following: signal pre-processing algorithms, sampling rate, feature selection and classifier selection. Each has been investigated and the most appropriate approach is selected to achieve a trade-off between recognition accuracy and computing execution time. A comparison of six different systems, which employ single or multiple sensors, is presented. The experimental results illustrate that the proposed multi-sensor system can achieve an overall recognition accuracy of 96.4% by adopting the mean and variance features, using the Decision Tree classifier. The results demonstrate that elaborate classifiers and feature sets are not required to achieve high recognition accuracies on a multi-sensor system. Copyright © 2014 IPEM. Published by Elsevier Ltd. All rights reserved.

A long baseline global stereo matching based upon short baseline estimation

NASA Astrophysics Data System (ADS)

Li, Jing; Zhao, Hong; Li, Zigang; Gu, Feifei; Zhao, Zixin; Ma, Yueyang; Fang, Meiqi

2018-05-01

In global stereo vision, balancing the matching efficiency and computing accuracy seems to be impossible because they contradict each other. In the case of a long baseline, this contradiction becomes more prominent. In order to solve this difficult problem, this paper proposes a novel idea to improve both the efficiency and accuracy in global stereo matching for a long baseline. In this way, the reference images located between the long baseline image pairs are firstly chosen to form the new image pairs with short baselines. The relationship between the disparities of pixels in the image pairs with different baselines is revealed by considering the quantized error so that the disparity search range under the long baseline can be reduced by guidance of the short baseline to gain matching efficiency. Then, the novel idea is integrated into the graph cuts (GCs) to form a multi-step GC algorithm based on the short baseline estimation, by which the disparity map under the long baseline can be calculated iteratively on the basis of the previous matching. Furthermore, the image information from the pixels that are non-occluded under the short baseline but are occluded for the long baseline can be employed to improve the matching accuracy. Although the time complexity of the proposed method depends on the locations of the chosen reference images, it is usually much lower for a long baseline stereo matching than when using the traditional GC algorithm. Finally, the validity of the proposed method is examined by experiments based on benchmark datasets. The results show that the proposed method is superior to the traditional GC method in terms of efficiency and accuracy, and thus it is suitable for long baseline stereo matching.

Efficient computation of the joint probability of multiple inherited risk alleles from pedigree data.

PubMed

Madsen, Thomas; Braun, Danielle; Peng, Gang; Parmigiani, Giovanni; Trippa, Lorenzo

2018-06-25

The Elston-Stewart peeling algorithm enables estimation of an individual's probability of harboring germline risk alleles based on pedigree data, and serves as the computational backbone of important genetic counseling tools. However, it remains limited to the analysis of risk alleles at a small number of genetic loci because its computing time grows exponentially with the number of loci considered. We propose a novel, approximate version of this algorithm, dubbed the peeling and paring algorithm, which scales polynomially in the number of loci. This allows extending peeling-based models to include many genetic loci. The algorithm creates a trade-off between accuracy and speed, and allows the user to control this trade-off. We provide exact bounds on the approximation error and evaluate it in realistic simulations. Results show that the loss of accuracy due to the approximation is negligible in important applications. This algorithm will improve genetic counseling tools by increasing the number of pathogenic risk alleles that can be addressed. To illustrate we create an extended five genes version of BRCAPRO, a widely used model for estimating the carrier probabilities of BRCA1 and BRCA2 risk alleles and assess its computational properties. © 2018 WILEY PERIODICALS, INC.

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

PubMed Central

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

2015-01-01

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

Density-Functional Theory with Dispersion-Correcting Potentials for Methane: Bridging the Efficiency and Accuracy Gap between High-Level Wave Function and Classical Molecular Mechanics Methods.

PubMed

Torres, Edmanuel; DiLabio, Gino A

2013-08-13

Large clusters of noncovalently bonded molecules can only be efficiently modeled by classical mechanics simulations. One prominent challenge associated with this approach is obtaining force-field parameters that accurately describe noncovalent interactions. High-level correlated wave function methods, such as CCSD(T), are capable of correctly predicting noncovalent interactions, and are widely used to produce reference data. However, high-level correlated methods are generally too computationally costly to generate the critical reference data required for good force-field parameter development. In this work we present an approach to generate Lennard-Jones force-field parameters to accurately account for noncovalent interactions. We propose the use of a computational step that is intermediate to CCSD(T) and classical molecular mechanics, that can bridge the accuracy and computational efficiency gap between them, and demonstrate the efficacy of our approach with methane clusters. On the basis of CCSD(T)-level binding energy data for a small set of methane clusters, we develop methane-specific, atom-centered, dispersion-correcting potentials (DCPs) for use with the PBE0 density-functional and 6-31+G(d,p) basis sets. We then use the PBE0-DCP approach to compute a detailed map of the interaction forces associated with the removal of a single methane molecule from a cluster of eight methane molecules and use this map to optimize the Lennard-Jones parameters for methane. The quality of the binding energies obtained by the Lennard-Jones parameters we obtained is assessed on a set of methane clusters containing from 2 to 40 molecules. Our Lennard-Jones parameters, used in combination with the intramolecular parameters of the CHARMM force field, are found to closely reproduce the results of our dispersion-corrected density-functional calculations. The approach outlined can be used to develop Lennard-Jones parameters for any kind of molecular system.

Acceleration of the chemistry solver for modeling DI engine combustion using dynamic adaptive chemistry (DAC) schemes

NASA Astrophysics Data System (ADS)

Shi, Yu; Liang, Long; Ge, Hai-Wen; Reitz, Rolf D.

2010-03-01

Acceleration of the chemistry solver for engine combustion is of much interest due to the fact that in practical engine simulations extensive computational time is spent solving the fuel oxidation and emission formation chemistry. A dynamic adaptive chemistry (DAC) scheme based on a directed relation graph error propagation (DRGEP) method has been applied to study homogeneous charge compression ignition (HCCI) engine combustion with detailed chemistry (over 500 species) previously using an R-value-based breadth-first search (RBFS) algorithm, which significantly reduced computational times (by as much as 30-fold). The present paper extends the use of this on-the-fly kinetic mechanism reduction scheme to model combustion in direct-injection (DI) engines. It was found that the DAC scheme becomes less efficient when applied to DI engine simulations using a kinetic mechanism of relatively small size and the accuracy of the original DAC scheme decreases for conventional non-premixed combustion engine. The present study also focuses on determination of search-initiating species, involvement of the NOx chemistry, selection of a proper error tolerance, as well as treatment of the interaction of chemical heat release and the fuel spray. Both the DAC schemes were integrated into the ERC KIVA-3v2 code, and simulations were conducted to compare the two schemes. In general, the present DAC scheme has better efficiency and similar accuracy compared to the previous DAC scheme. The efficiency depends on the size of the chemical kinetics mechanism used and the engine operating conditions. For cases using a small n-heptane kinetic mechanism of 34 species, 30% of the computational time is saved, and 50% for a larger n-heptane kinetic mechanism of 61 species. The paper also demonstrates that by combining the present DAC scheme with an adaptive multi-grid chemistry (AMC) solver, it is feasible to simulate a direct-injection engine using a detailed n-heptane mechanism with 543 species with practical computer time.

An adaptive multi-level simulation algorithm for stochastic biological systems

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

Lester, C., E-mail: lesterc@maths.ox.ac.uk; Giles, M. B.; Baker, R. E.

2015-01-14

Discrete-state, continuous-time Markov models are widely used in the modeling of biochemical reaction networks. Their complexity often precludes analytic solution, and we rely on stochastic simulation algorithms (SSA) to estimate system statistics. The Gillespie algorithm is exact, but computationally costly as it simulates every single reaction. As such, approximate stochastic simulation algorithms such as the tau-leap algorithm are often used. Potentially computationally more efficient, the system statistics generated suffer from significant bias unless tau is relatively small, in which case the computational time can be comparable to that of the Gillespie algorithm. The multi-level method [Anderson and Higham, “Multi-level Montemore » Carlo for continuous time Markov chains, with applications in biochemical kinetics,” SIAM Multiscale Model. Simul. 10(1), 146–179 (2012)] tackles this problem. A base estimator is computed using many (cheap) sample paths at low accuracy. The bias inherent in this estimator is then reduced using a number of corrections. Each correction term is estimated using a collection of paired sample paths where one path of each pair is generated at a higher accuracy compared to the other (and so more expensive). By sharing random variables between these paired paths, the variance of each correction estimator can be reduced. This renders the multi-level method very efficient as only a relatively small number of paired paths are required to calculate each correction term. In the original multi-level method, each sample path is simulated using the tau-leap algorithm with a fixed value of τ. This approach can result in poor performance when the reaction activity of a system changes substantially over the timescale of interest. By introducing a novel adaptive time-stepping approach where τ is chosen according to the stochastic behaviour of each sample path, we extend the applicability of the multi-level method to such cases. We demonstrate the efficiency of our method using a number of examples.« less

Multi-element least square HDMR methods and their applications for stochastic multiscale model reduction

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

Jiang, Lijian, E-mail: ljjiang@hnu.edu.cn; Li, Xinping, E-mail: exping@126.com

Stochastic multiscale modeling has become a necessary approach to quantify uncertainty and characterize multiscale phenomena for many practical problems such as flows in stochastic porous media. The numerical treatment of the stochastic multiscale models can be very challengeable as the existence of complex uncertainty and multiple physical scales in the models. To efficiently take care of the difficulty, we construct a computational reduced model. To this end, we propose a multi-element least square high-dimensional model representation (HDMR) method, through which the random domain is adaptively decomposed into a few subdomains, and a local least square HDMR is constructed in eachmore » subdomain. These local HDMRs are represented by a finite number of orthogonal basis functions defined in low-dimensional random spaces. The coefficients in the local HDMRs are determined using least square methods. We paste all the local HDMR approximations together to form a global HDMR approximation. To further reduce computational cost, we present a multi-element reduced least-square HDMR, which improves both efficiency and approximation accuracy in certain conditions. To effectively treat heterogeneity properties and multiscale features in the models, we integrate multiscale finite element methods with multi-element least-square HDMR for stochastic multiscale model reduction. This approach significantly reduces the original model's complexity in both the resolution of the physical space and the high-dimensional stochastic space. We analyze the proposed approach, and provide a set of numerical experiments to demonstrate the performance of the presented model reduction techniques. - Highlights: • Multi-element least square HDMR is proposed to treat stochastic models. • Random domain is adaptively decomposed into some subdomains to obtain adaptive multi-element HDMR. • Least-square reduced HDMR is proposed to enhance computation efficiency and approximation accuracy in certain conditions. • Integrating MsFEM and multi-element least square HDMR can significantly reduce computation complexity.« less

Application of square-root filtering for spacecraft attitude control

NASA Technical Reports Server (NTRS)

Sorensen, J. A.; Schmidt, S. F.; Goka, T.

1978-01-01

Suitable digital algorithms are developed and tested for providing on-board precision attitude estimation and pointing control for potential use in the Landsat-D spacecraft. These algorithms provide pointing accuracy of better than 0.01 deg. To obtain necessary precision with efficient software, a six state-variable square-root Kalman filter combines two star tracker measurements to update attitude estimates obtained from processing three gyro outputs. The validity of the estimation and control algorithms are established, and the sensitivity of their performance to various error sources and software parameters are investigated by detailed digital simulation. Spacecraft computer memory, cycle time, and accuracy requirements are estimated.

Quantum-enhanced Sensing and Efficient Quantum Computation

DTIC Science & Technology

2015-07-27

accuracy. The system was used to improve quantum boson sampling tests. 15. SUBJECT TERMS EOARD, Quantum Information Processing, Transition Edge Sensors...quantum  boson  sampling (QBS) problem are reported in Ref. [7]. To substantially  increase the scale of feasible tests, we developed a new variation

Measurement of Air Flow Characteristics Using Seven-Hole Cone Probes

NASA Technical Reports Server (NTRS)

Takahashi, Timothy T.

1997-01-01

The motivation for this work has been the development of a wake survey system. A seven-hole probe can measure the distribution of static pressure, total pressure, and flow angularity in a wind tunnel environment. The author describes the development of a simple, very efficient algorithm to compute flow properties from probe tip pressures. Its accuracy and applicability to unsteady, turbulent flow are discussed.

Time-Shift Correlation Algorithm for P300 Event Related Potential Brain-Computer Interface Implementation

PubMed Central

Liu, Ju-Chi; Chou, Hung-Chyun; Chen, Chien-Hsiu; Lin, Yi-Tseng

2016-01-01

A high efficient time-shift correlation algorithm was proposed to deal with the peak time uncertainty of P300 evoked potential for a P300-based brain-computer interface (BCI). The time-shift correlation series data were collected as the input nodes of an artificial neural network (ANN), and the classification of four LED visual stimuli was selected as the output node. Two operating modes, including fast-recognition mode (FM) and accuracy-recognition mode (AM), were realized. The proposed BCI system was implemented on an embedded system for commanding an adult-size humanoid robot to evaluate the performance from investigating the ground truth trajectories of the humanoid robot. When the humanoid robot walked in a spacious area, the FM was used to control the robot with a higher information transfer rate (ITR). When the robot walked in a crowded area, the AM was used for high accuracy of recognition to reduce the risk of collision. The experimental results showed that, in 100 trials, the accuracy rate of FM was 87.8% and the average ITR was 52.73 bits/min. In addition, the accuracy rate was improved to 92% for the AM, and the average ITR decreased to 31.27 bits/min. due to strict recognition constraints. PMID:27579033

Time-Shift Correlation Algorithm for P300 Event Related Potential Brain-Computer Interface Implementation.

PubMed

Liu, Ju-Chi; Chou, Hung-Chyun; Chen, Chien-Hsiu; Lin, Yi-Tseng; Kuo, Chung-Hsien

2016-01-01

A high efficient time-shift correlation algorithm was proposed to deal with the peak time uncertainty of P300 evoked potential for a P300-based brain-computer interface (BCI). The time-shift correlation series data were collected as the input nodes of an artificial neural network (ANN), and the classification of four LED visual stimuli was selected as the output node. Two operating modes, including fast-recognition mode (FM) and accuracy-recognition mode (AM), were realized. The proposed BCI system was implemented on an embedded system for commanding an adult-size humanoid robot to evaluate the performance from investigating the ground truth trajectories of the humanoid robot. When the humanoid robot walked in a spacious area, the FM was used to control the robot with a higher information transfer rate (ITR). When the robot walked in a crowded area, the AM was used for high accuracy of recognition to reduce the risk of collision. The experimental results showed that, in 100 trials, the accuracy rate of FM was 87.8% and the average ITR was 52.73 bits/min. In addition, the accuracy rate was improved to 92% for the AM, and the average ITR decreased to 31.27 bits/min. due to strict recognition constraints.

Motion-sensor fusion-based gesture recognition and its VLSI architecture design for mobile devices

NASA Astrophysics Data System (ADS)

Zhu, Wenping; Liu, Leibo; Yin, Shouyi; Hu, Siqi; Tang, Eugene Y.; Wei, Shaojun

2014-05-01

With the rapid proliferation of smartphones and tablets, various embedded sensors are incorporated into these platforms to enable multimodal human-computer interfaces. Gesture recognition, as an intuitive interaction approach, has been extensively explored in the mobile computing community. However, most gesture recognition implementations by now are all user-dependent and only rely on accelerometer. In order to achieve competitive accuracy, users are required to hold the devices in predefined manner during the operation. In this paper, a high-accuracy human gesture recognition system is proposed based on multiple motion sensor fusion. Furthermore, to reduce the energy overhead resulted from frequent sensor sampling and data processing, a high energy-efficient VLSI architecture implemented on a Xilinx Virtex-5 FPGA board is also proposed. Compared with the pure software implementation, approximately 45 times speed-up is achieved while operating at 20 MHz. The experiments show that the average accuracy for 10 gestures achieves 93.98% for user-independent case and 96.14% for user-dependent case when subjects hold the device randomly during completing the specified gestures. Although a few percent lower than the conventional best result, it still provides competitive accuracy acceptable for practical usage. Most importantly, the proposed system allows users to hold the device randomly during operating the predefined gestures, which substantially enhances the user experience.

Vector disparity sensor with vergence control for active vision systems.

PubMed

Barranco, Francisco; Diaz, Javier; Gibaldi, Agostino; Sabatini, Silvio P; Ros, Eduardo

2012-01-01

This paper presents an architecture for computing vector disparity for active vision systems as used on robotics applications. The control of the vergence angle of a binocular system allows us to efficiently explore dynamic environments, but requires a generalization of the disparity computation with respect to a static camera setup, where the disparity is strictly 1-D after the image rectification. The interaction between vision and motor control allows us to develop an active sensor that achieves high accuracy of the disparity computation around the fixation point, and fast reaction time for the vergence control. In this contribution, we address the development of a real-time architecture for vector disparity computation using an FPGA device. We implement the disparity unit and the control module for vergence, version, and tilt to determine the fixation point. In addition, two on-chip different alternatives for the vector disparity engines are discussed based on the luminance (gradient-based) and phase information of the binocular images. The multiscale versions of these engines are able to estimate the vector disparity up to 32 fps on VGA resolution images with very good accuracy as shown using benchmark sequences with known ground-truth. The performances in terms of frame-rate, resource utilization, and accuracy of the presented approaches are discussed. On the basis of these results, our study indicates that the gradient-based approach leads to the best trade-off choice for the integration with the active vision system.

Vector Disparity Sensor with Vergence Control for Active Vision Systems

PubMed Central

Barranco, Francisco; Diaz, Javier; Gibaldi, Agostino; Sabatini, Silvio P.; Ros, Eduardo

2012-01-01

This paper presents an architecture for computing vector disparity for active vision systems as used on robotics applications. The control of the vergence angle of a binocular system allows us to efficiently explore dynamic environments, but requires a generalization of the disparity computation with respect to a static camera setup, where the disparity is strictly 1-D after the image rectification. The interaction between vision and motor control allows us to develop an active sensor that achieves high accuracy of the disparity computation around the fixation point, and fast reaction time for the vergence control. In this contribution, we address the development of a real-time architecture for vector disparity computation using an FPGA device. We implement the disparity unit and the control module for vergence, version, and tilt to determine the fixation point. In addition, two on-chip different alternatives for the vector disparity engines are discussed based on the luminance (gradient-based) and phase information of the binocular images. The multiscale versions of these engines are able to estimate the vector disparity up to 32 fps on VGA resolution images with very good accuracy as shown using benchmark sequences with known ground-truth. The performances in terms of frame-rate, resource utilization, and accuracy of the presented approaches are discussed. On the basis of these results, our study indicates that the gradient-based approach leads to the best trade-off choice for the integration with the active vision system. PMID:22438737

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.

Cryo-EM image alignment based on nonuniform fast Fourier transform.

PubMed

Yang, Zhengfan; Penczek, Pawel A

2008-08-01

In single particle analysis, two-dimensional (2-D) alignment is a fundamental step intended to put into register various particle projections of biological macromolecules collected at the electron microscope. The efficiency and quality of three-dimensional (3-D) structure reconstruction largely depends on the computational speed and alignment accuracy of this crucial step. In order to improve the performance of alignment, we introduce a new method that takes advantage of the highly accurate interpolation scheme based on the gridding method, a version of the nonuniform fast Fourier transform, and utilizes a multi-dimensional optimization algorithm for the refinement of the orientation parameters. Using simulated data, we demonstrate that by using less than half of the sample points and taking twice the runtime, our new 2-D alignment method achieves dramatically better alignment accuracy than that based on quadratic interpolation. We also apply our method to image to volume registration, the key step in the single particle EM structure refinement protocol. We find that in this case the accuracy of the method not only surpasses the accuracy of the commonly used real-space implementation, but results are achieved in much shorter time, making gridding-based alignment a perfect candidate for efficient structure determination in single particle analysis.

Cryo-EM Image Alignment Based on Nonuniform Fast Fourier Transform

PubMed Central

Yang, Zhengfan; Penczek, Pawel A.

2008-01-01

In single particle analysis, two-dimensional (2-D) alignment is a fundamental step intended to put into register various particle projections of biological macromolecules collected at the electron microscope. The efficiency and quality of three-dimensional (3-D) structure reconstruction largely depends on the computational speed and alignment accuracy of this crucial step. In order to improve the performance of alignment, we introduce a new method that takes advantage of the highly accurate interpolation scheme based on the gridding method, a version of the nonuniform Fast Fourier Transform, and utilizes a multi-dimensional optimization algorithm for the refinement of the orientation parameters. Using simulated data, we demonstrate that by using less than half of the sample points and taking twice the runtime, our new 2-D alignment method achieves dramatically better alignment accuracy than that based on quadratic interpolation. We also apply our method to image to volume registration, the key step in the single particle EM structure refinement protocol. We find that in this case the accuracy of the method not only surpasses the accuracy of the commonly used real-space implementation, but results are achieved in much shorter time, making gridding-based alignment a perfect candidate for efficient structure determination in single particle analysis. PMID:18499351

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

Biyikli, Emre; To, Albert C., E-mail: albertto@pitt.edu

Atomistic/continuum coupling methods combine accurate atomistic methods and efficient continuum methods to simulate the behavior of highly ordered crystalline systems. Coupled methods utilize the advantages of both approaches to simulate systems at a lower computational cost, while retaining the accuracy associated with atomistic methods. Many concurrent atomistic/continuum coupling methods have been proposed in the past; however, their true computational efficiency has not been demonstrated. The present work presents an efficient implementation of a concurrent coupling method called the Multiresolution Molecular Mechanics (MMM) for serial, parallel, and adaptive analysis. First, we present the features of the software implemented along with themore » associated technologies. The scalability of the software implementation is demonstrated, and the competing effects of multiscale modeling and parallelization are discussed. Then, the algorithms contributing to the efficiency of the software are presented. These include algorithms for eliminating latent ghost atoms from calculations and measurement-based dynamic balancing of parallel workload. The efficiency improvements made by these algorithms are demonstrated by benchmark tests. The efficiency of the software is found to be on par with LAMMPS, a state-of-the-art Molecular Dynamics (MD) simulation code, when performing full atomistic simulations. Speed-up of the MMM method is shown to be directly proportional to the reduction of the number of the atoms visited in force computation. Finally, an adaptive MMM analysis on a nanoindentation problem, containing over a million atoms, is performed, yielding an improvement of 6.3–8.5 times in efficiency, over the full atomistic MD method. For the first time, the efficiency of a concurrent atomistic/continuum coupling method is comprehensively investigated and demonstrated.« less

An efficient hybrid technique in RCS predictions of complex targets at high frequencies

NASA Astrophysics Data System (ADS)

Algar, María-Jesús; Lozano, Lorena; Moreno, Javier; González, Iván; Cátedra, Felipe

2017-09-01

Most computer codes in Radar Cross Section (RCS) prediction use Physical Optics (PO) and Physical theory of Diffraction (PTD) combined with Geometrical Optics (GO) and Geometrical Theory of Diffraction (GTD). The latter approaches are computationally cheaper and much more accurate for curved surfaces, but not applicable for the computation of the RCS of all surfaces of a complex object due to the presence of caustic problems in the analysis of concave surfaces or flat surfaces in the far field. The main contribution of this paper is the development of a hybrid method based on a new combination of two asymptotic techniques: GTD and PO, considering the advantages and avoiding the disadvantages of each of them. A very efficient and accurate method to analyze the RCS of complex structures at high frequencies is obtained with the new combination. The proposed new method has been validated comparing RCS results obtained for some simple cases using the proposed approach and RCS using the rigorous technique of Method of Moments (MoM). Some complex cases have been examined at high frequencies contrasting the results with PO. This study shows the accuracy and the efficiency of the hybrid method and its suitability for the computation of the RCS at really large and complex targets at high frequencies.

Multigrid treatment of implicit continuum diffusion

NASA Astrophysics Data System (ADS)

Francisquez, Manaure; Zhu, Ben; Rogers, Barrett

2017-10-01

Implicit treatment of diffusive terms of various differential orders common in continuum mechanics modeling, such as computational fluid dynamics, is investigated with spectral and multigrid algorithms in non-periodic 2D domains. In doubly periodic time dependent problems these terms can be efficiently and implicitly handled by spectral methods, but in non-periodic systems solved with distributed memory parallel computing and 2D domain decomposition, this efficiency is lost for large numbers of processors. We built and present here a multigrid algorithm for these types of problems which outperforms a spectral solution that employs the highly optimized FFTW library. This multigrid algorithm is not only suitable for high performance computing but may also be able to efficiently treat implicit diffusion of arbitrary order by introducing auxiliary equations of lower order. We test these solvers for fourth and sixth order diffusion with idealized harmonic test functions as well as a turbulent 2D magnetohydrodynamic simulation. It is also shown that an anisotropic operator without cross-terms can improve model accuracy and speed, and we examine the impact that the various diffusion operators have on the energy, the enstrophy, and the qualitative aspect of a simulation. This work was supported by DOE-SC-0010508. This research used resources of the National Energy Research Scientific Computing Center (NERSC).

Efficiency of the neighbor-joining method in reconstructing deep and shallow evolutionary relationships in large phylogenies.

PubMed

Kumar, S; Gadagkar, S R

2000-12-01

The neighbor-joining (NJ) method is widely used in reconstructing large phylogenies because of its computational speed and the high accuracy in phylogenetic inference as revealed in computer simulation studies. However, most computer simulation studies have quantified the overall performance of the NJ method in terms of the percentage of branches inferred correctly or the percentage of replications in which the correct tree is recovered. We have examined other aspects of its performance, such as the relative efficiency in correctly reconstructing shallow (close to the external branches of the tree) and deep branches in large phylogenies; the contribution of zero-length branches to topological errors in the inferred trees; and the influence of increasing the tree size (number of sequences), evolutionary rate, and sequence length on the efficiency of the NJ method. Results show that the correct reconstruction of deep branches is no more difficult than that of shallower branches. The presence of zero-length branches in realized trees contributes significantly to the overall error observed in the NJ tree, especially in large phylogenies or slowly evolving genes. Furthermore, the tree size does not influence the efficiency of NJ in reconstructing shallow and deep branches in our simulation study, in which the evolutionary process is assumed to be homogeneous in all lineages.

Gradient Magnitude Similarity Deviation: A Highly Efficient Perceptual Image Quality Index.

PubMed

Xue, Wufeng; Zhang, Lei; Mou, Xuanqin; Bovik, Alan C

2014-02-01

It is an important task to faithfully evaluate the perceptual quality of output images in many applications, such as image compression, image restoration, and multimedia streaming. A good image quality assessment (IQA) model should not only deliver high quality prediction accuracy, but also be computationally efficient. The efficiency of IQA metrics is becoming particularly important due to the increasing proliferation of high-volume visual data in high-speed networks. We present a new effective and efficient IQA model, called gradient magnitude similarity deviation (GMSD). The image gradients are sensitive to image distortions, while different local structures in a distorted image suffer different degrees of degradations. This motivates us to explore the use of global variation of gradient based local quality map for overall image quality prediction. We find that the pixel-wise gradient magnitude similarity (GMS) between the reference and distorted images combined with a novel pooling strategy-the standard deviation of the GMS map-can predict accurately perceptual image quality. The resulting GMSD algorithm is much faster than most state-of-the-art IQA methods, and delivers highly competitive prediction accuracy. MATLAB source code of GMSD can be downloaded at http://www4.comp.polyu.edu.hk/~cslzhang/IQA/GMSD/GMSD.htm.

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

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

Tong, Dudu; Yang, Sichun; Lu, Lanyuan

2016-06-20

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

Direct differentiation of the quasi-incompressible fluid formulation of fluid-structure interaction using the PFEM

NASA Astrophysics Data System (ADS)

Zhu, Minjie; Scott, Michael H.

2017-07-01

Accurate and efficient response sensitivities for fluid-structure interaction (FSI) simulations are important for assessing the uncertain response of coastal and off-shore structures to hydrodynamic loading. To compute gradients efficiently via the direct differentiation method (DDM) for the fully incompressible fluid formulation, approximations of the sensitivity equations are necessary, leading to inaccuracies of the computed gradients when the geometry of the fluid mesh changes rapidly between successive time steps or the fluid viscosity is nonzero. To maintain accuracy of the sensitivity computations, a quasi-incompressible fluid is assumed for the response analysis of FSI using the particle finite element method and DDM is applied to this formulation, resulting in linearized equations for the response sensitivity that are consistent with those used to compute the response. Both the response and the response sensitivity can be solved using the same unified fractional step method. FSI simulations show that although the response using the quasi-incompressible and incompressible fluid formulations is similar, only the quasi-incompressible approach gives accurate response sensitivity for viscous, turbulent flows regardless of time step size.

Optimization Algorithm for Kalman Filter Exploiting the Numerical Characteristics of SINS/GPS Integrated Navigation Systems.

PubMed

Hu, Shaoxing; Xu, Shike; Wang, Duhu; Zhang, Aiwu

2015-11-11

Aiming at addressing the problem of high computational cost of the traditional Kalman filter in SINS/GPS, a practical optimization algorithm with offline-derivation and parallel processing methods based on the numerical characteristics of the system is presented in this paper. The algorithm exploits the sparseness and/or symmetry of matrices to simplify the computational procedure. Thus plenty of invalid operations can be avoided by offline derivation using a block matrix technique. For enhanced efficiency, a new parallel computational mechanism is established by subdividing and restructuring calculation processes after analyzing the extracted "useful" data. As a result, the algorithm saves about 90% of the CPU processing time and 66% of the memory usage needed in a classical Kalman filter. Meanwhile, the method as a numerical approach needs no precise-loss transformation/approximation of system modules and the accuracy suffers little in comparison with the filter before computational optimization. Furthermore, since no complicated matrix theories are needed, the algorithm can be easily transplanted into other modified filters as a secondary optimization method to achieve further efficiency.

EMILiO: a fast algorithm for genome-scale strain design.

PubMed

Yang, Laurence; Cluett, William R; Mahadevan, Radhakrishnan

2011-05-01

Systems-level design of cell metabolism is becoming increasingly important for renewable production of fuels, chemicals, and drugs. Computational models are improving in the accuracy and scope of predictions, but are also growing in complexity. Consequently, efficient and scalable algorithms are increasingly important for strain design. Previous algorithms helped to consolidate the utility of computational modeling in this field. To meet intensifying demands for high-performance strains, both the number and variety of genetic manipulations involved in strain construction are increasing. Existing algorithms have experienced combinatorial increases in computational complexity when applied toward the design of such complex strains. Here, we present EMILiO, a new algorithm that increases the scope of strain design to include reactions with individually optimized fluxes. Unlike existing approaches that would experience an explosion in complexity to solve this problem, we efficiently generated numerous alternate strain designs producing succinate, l-glutamate and l-serine. This was enabled by successive linear programming, a technique new to the area of computational strain design. Copyright © 2011 Elsevier Inc. All rights reserved.

Solving the hypersingular boundary integral equation in three-dimensional acoustics using a regularization relationship.

PubMed

Yan, Zai You; Hung, Kin Chew; Zheng, Hui

2003-05-01

Regularization of the hypersingular integral in the normal derivative of the conventional Helmholtz integral equation through a double surface integral method or regularization relationship has been studied. By introducing the new concept of discretized operator matrix, evaluation of the double surface integrals is reduced to calculate the product of two discretized operator matrices. Such a treatment greatly improves the computational efficiency. As the number of frequencies to be computed increases, the computational cost of solving the composite Helmholtz integral equation is comparable to that of solving the conventional Helmholtz integral equation. In this paper, the detailed formulation of the proposed regularization method is presented. The computational efficiency and accuracy of the regularization method are demonstrated for a general class of acoustic radiation and scattering problems. The radiation of a pulsating sphere, an oscillating sphere, and a rigid sphere insonified by a plane acoustic wave are solved using the new method with curvilinear quadrilateral isoparametric elements. It is found that the numerical results rapidly converge to the corresponding analytical solutions as finer meshes are applied.

Reduced-order modelling of parameter-dependent, linear and nonlinear dynamic partial differential equation models.

PubMed

Shah, A A; Xing, W W; Triantafyllidis, V

2017-04-01

In this paper, we develop reduced-order models for dynamic, parameter-dependent, linear and nonlinear partial differential equations using proper orthogonal decomposition (POD). The main challenges are to accurately and efficiently approximate the POD bases for new parameter values and, in the case of nonlinear problems, to efficiently handle the nonlinear terms. We use a Bayesian nonlinear regression approach to learn the snapshots of the solutions and the nonlinearities for new parameter values. Computational efficiency is ensured by using manifold learning to perform the emulation in a low-dimensional space. The accuracy of the method is demonstrated on a linear and a nonlinear example, with comparisons with a global basis approach.

Reduced-order modelling of parameter-dependent, linear and nonlinear dynamic partial differential equation models

PubMed Central

Xing, W. W.; Triantafyllidis, V.

2017-01-01

In this paper, we develop reduced-order models for dynamic, parameter-dependent, linear and nonlinear partial differential equations using proper orthogonal decomposition (POD). The main challenges are to accurately and efficiently approximate the POD bases for new parameter values and, in the case of nonlinear problems, to efficiently handle the nonlinear terms. We use a Bayesian nonlinear regression approach to learn the snapshots of the solutions and the nonlinearities for new parameter values. Computational efficiency is ensured by using manifold learning to perform the emulation in a low-dimensional space. The accuracy of the method is demonstrated on a linear and a nonlinear example, with comparisons with a global basis approach. PMID:28484327

An efficient optical architecture for sparsely connected neural networks

NASA Technical Reports Server (NTRS)

Hine, Butler P., III; Downie, John D.; Reid, Max B.

1990-01-01

An architecture for general-purpose optical neural network processor is presented in which the interconnections and weights are formed by directing coherent beams holographically, thereby making use of the space-bandwidth products of the recording medium for sparsely interconnected networks more efficiently that the commonly used vector-matrix multiplier, since all of the hologram area is in use. An investigation is made of the use of computer-generated holograms recorded on such updatable media as thermoplastic materials, in order to define the interconnections and weights of a neural network processor; attention is given to limits on interconnection densities, diffraction efficiencies, and weighing accuracies possible with such an updatable thin film holographic device.

Combining Accuracy and Efficiency: An Incremental Focal-Point Method Based on Pair Natural Orbitals.

PubMed

Fiedler, Benjamin; Schmitz, Gunnar; Hättig, Christof; Friedrich, Joachim

2017-12-12

In this work, we present a new pair natural orbitals (PNO)-based incremental scheme to calculate CCSD(T) and CCSD(T0) reaction, interaction, and binding energies. We perform an extensive analysis, which shows small incremental errors similar to previous non-PNO calculations. Furthermore, slight PNO errors are obtained by using T PNO = T TNO with appropriate values of 10 -7 to 10 -8 for reactions and 10 -8 for interaction or binding energies. The combination with the efficient MP2 focal-point approach yields chemical accuracy relative to the complete basis-set (CBS) limit. In this method, small basis sets (cc-pVDZ, def2-TZVP) for the CCSD(T) part are sufficient in case of reactions or interactions, while some larger ones (e.g., (aug)-cc-pVTZ) are necessary for molecular clusters. For these larger basis sets, we show the very high efficiency of our scheme. We obtain not only tremendous decreases of the wall times (i.e., factors >10 2 ) due to the parallelization of the increment calculations as well as of the total times due to the application of PNOs (i.e., compared to the normal incremental scheme) but also smaller total times with respect to the standard PNO method. That way, our new method features a perfect applicability by combining an excellent accuracy with a very high efficiency as well as the accessibility to larger systems due to the separation of the full computation into several small increments.

Modeling for Battery Prognostics

NASA Technical Reports Server (NTRS)

Kulkarni, Chetan S.; Goebel, Kai; Khasin, Michael; Hogge, Edward; Quach, Patrick

2017-01-01

For any battery-powered vehicles (be it unmanned aerial vehicles, small passenger aircraft, or assets in exoplanetary operations) to operate at maximum efficiency and reliability, it is critical to monitor battery health as well performance and to predict end of discharge (EOD) and end of useful life (EOL). To fulfil these needs, it is important to capture the battery's inherent characteristics as well as operational knowledge in the form of models that can be used by monitoring, diagnostic, and prognostic algorithms. Several battery modeling methodologies have been developed in last few years as the understanding of underlying electrochemical mechanics has been advancing. The models can generally be classified as empirical models, electrochemical engineering models, multi-physics models, and molecular/atomist. Empirical models are based on fitting certain functions to past experimental data, without making use of any physicochemical principles. Electrical circuit equivalent models are an example of such empirical models. Electrochemical engineering models are typically continuum models that include electrochemical kinetics and transport phenomena. Each model has its advantages and disadvantages. The former type of model has the advantage of being computationally efficient, but has limited accuracy and robustness, due to the approximations used in developed model, and as a result of such approximations, cannot represent aging well. The latter type of model has the advantage of being very accurate, but is often computationally inefficient, having to solve complex sets of partial differential equations, and thus not suited well for online prognostic applications. In addition both multi-physics and atomist models are computationally expensive hence are even less suited to online application An electrochemistry-based model of Li-ion batteries has been developed, that captures crucial electrochemical processes, captures effects of aging, is computationally efficient, and is of suitable accuracy for reliable EOD prediction in a variety of operational profiles. The model can be considered an electrochemical engineering model, but unlike most such models found in the literature, certain approximations are done that allow to retain computational efficiency for online implementation of the model. Although the focus here is on Li-ion batteries, the model is quite general and can be applied to different chemistries through a change of model parameter values. Progress on model development, providing model validation results and EOD prediction results is being presented.

Comparison of numerical techniques for integration of stiff ordinary differential equations arising in combustion chemistry

NASA Technical Reports Server (NTRS)

Radhakrishnan, K.

1984-01-01

The efficiency and accuracy of several algorithms recently developed for the efficient numerical integration of stiff ordinary differential equations are compared. The methods examined include two general-purpose codes, EPISODE and LSODE, and three codes (CHEMEQ, CREK1D, and GCKP84) developed specifically to integrate chemical kinetic rate equations. The codes are applied to two test problems drawn from combustion kinetics. The comparisons show that LSODE is the fastest code currently available for the integration of combustion kinetic rate equations. An important finding is that an interactive solution of the algebraic energy conservation equation to compute the temperature does not result in significant errors. In addition, this method is more efficient than evaluating the temperature by integrating its time derivative. Significant reductions in computational work are realized by updating the rate constants (k = at(supra N) N exp(-E/RT) only when the temperature change exceeds an amount delta T that is problem dependent. An approximate expression for the automatic evaluation of delta T is derived and is shown to result in increased efficiency.

High-Productivity Computing in Computational Physics Education

NASA Astrophysics Data System (ADS)

Tel-Zur, Guy

2011-03-01

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

A nonvoxel-based dose convolution/superposition algorithm optimized for scalable GPU architectures.

PubMed

Neylon, J; Sheng, K; Yu, V; Chen, Q; Low, D A; Kupelian, P; Santhanam, A

2014-10-01

Real-time adaptive planning and treatment has been infeasible due in part to its high computational complexity. There have been many recent efforts to utilize graphics processing units (GPUs) to accelerate the computational performance and dose accuracy in radiation therapy. Data structure and memory access patterns are the key GPU factors that determine the computational performance and accuracy. In this paper, the authors present a nonvoxel-based (NVB) approach to maximize computational and memory access efficiency and throughput on the GPU. The proposed algorithm employs a ray-tracing mechanism to restructure the 3D data sets computed from the CT anatomy into a nonvoxel-based framework. In a process that takes only a few milliseconds of computing time, the algorithm restructured the data sets by ray-tracing through precalculated CT volumes to realign the coordinate system along the convolution direction, as defined by zenithal and azimuthal angles. During the ray-tracing step, the data were resampled according to radial sampling and parallel ray-spacing parameters making the algorithm independent of the original CT resolution. The nonvoxel-based algorithm presented in this paper also demonstrated a trade-off in computational performance and dose accuracy for different coordinate system configurations. In order to find the best balance between the computed speedup and the accuracy, the authors employed an exhaustive parameter search on all sampling parameters that defined the coordinate system configuration: zenithal, azimuthal, and radial sampling of the convolution algorithm, as well as the parallel ray spacing during ray tracing. The angular sampling parameters were varied between 4 and 48 discrete angles, while both radial sampling and parallel ray spacing were varied from 0.5 to 10 mm. The gamma distribution analysis method (γ) was used to compare the dose distributions using 2% and 2 mm dose difference and distance-to-agreement criteria, respectively. Accuracy was investigated using three distinct phantoms with varied geometries and heterogeneities and on a series of 14 segmented lung CT data sets. Performance gains were calculated using three 256 mm cube homogenous water phantoms, with isotropic voxel dimensions of 1, 2, and 4 mm. The nonvoxel-based GPU algorithm was independent of the data size and provided significant computational gains over the CPU algorithm for large CT data sizes. The parameter search analysis also showed that the ray combination of 8 zenithal and 8 azimuthal angles along with 1 mm radial sampling and 2 mm parallel ray spacing maintained dose accuracy with greater than 99% of voxels passing the γ test. Combining the acceleration obtained from GPU parallelization with the sampling optimization, the authors achieved a total performance improvement factor of >175 000 when compared to our voxel-based ground truth CPU benchmark and a factor of 20 compared with a voxel-based GPU dose convolution method. The nonvoxel-based convolution method yielded substantial performance improvements over a generic GPU implementation, while maintaining accuracy as compared to a CPU computed ground truth dose distribution. Such an algorithm can be a key contribution toward developing tools for adaptive radiation therapy systems.

A nonvoxel-based dose convolution/superposition algorithm optimized for scalable GPU architectures

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

Neylon, J., E-mail: jneylon@mednet.ucla.edu; Sheng, K.; Yu, V.

Purpose: Real-time adaptive planning and treatment has been infeasible due in part to its high computational complexity. There have been many recent efforts to utilize graphics processing units (GPUs) to accelerate the computational performance and dose accuracy in radiation therapy. Data structure and memory access patterns are the key GPU factors that determine the computational performance and accuracy. In this paper, the authors present a nonvoxel-based (NVB) approach to maximize computational and memory access efficiency and throughput on the GPU. Methods: The proposed algorithm employs a ray-tracing mechanism to restructure the 3D data sets computed from the CT anatomy intomore » a nonvoxel-based framework. In a process that takes only a few milliseconds of computing time, the algorithm restructured the data sets by ray-tracing through precalculated CT volumes to realign the coordinate system along the convolution direction, as defined by zenithal and azimuthal angles. During the ray-tracing step, the data were resampled according to radial sampling and parallel ray-spacing parameters making the algorithm independent of the original CT resolution. The nonvoxel-based algorithm presented in this paper also demonstrated a trade-off in computational performance and dose accuracy for different coordinate system configurations. In order to find the best balance between the computed speedup and the accuracy, the authors employed an exhaustive parameter search on all sampling parameters that defined the coordinate system configuration: zenithal, azimuthal, and radial sampling of the convolution algorithm, as well as the parallel ray spacing during ray tracing. The angular sampling parameters were varied between 4 and 48 discrete angles, while both radial sampling and parallel ray spacing were varied from 0.5 to 10 mm. The gamma distribution analysis method (γ) was used to compare the dose distributions using 2% and 2 mm dose difference and distance-to-agreement criteria, respectively. Accuracy was investigated using three distinct phantoms with varied geometries and heterogeneities and on a series of 14 segmented lung CT data sets. Performance gains were calculated using three 256 mm cube homogenous water phantoms, with isotropic voxel dimensions of 1, 2, and 4 mm. Results: The nonvoxel-based GPU algorithm was independent of the data size and provided significant computational gains over the CPU algorithm for large CT data sizes. The parameter search analysis also showed that the ray combination of 8 zenithal and 8 azimuthal angles along with 1 mm radial sampling and 2 mm parallel ray spacing maintained dose accuracy with greater than 99% of voxels passing the γ test. Combining the acceleration obtained from GPU parallelization with the sampling optimization, the authors achieved a total performance improvement factor of >175 000 when compared to our voxel-based ground truth CPU benchmark and a factor of 20 compared with a voxel-based GPU dose convolution method. Conclusions: The nonvoxel-based convolution method yielded substantial performance improvements over a generic GPU implementation, while maintaining accuracy as compared to a CPU computed ground truth dose distribution. Such an algorithm can be a key contribution toward developing tools for adaptive radiation therapy systems.« less

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.

Application of Dynamic Analysis in Semi-Analytical Finite Element Method

PubMed Central

Oeser, Markus

2017-01-01

Analyses of dynamic responses are significantly important for the design, maintenance and rehabilitation of asphalt pavement. In order to evaluate the dynamic responses of asphalt pavement under moving loads, a specific computational program, SAFEM, was developed based on a semi-analytical finite element method. This method is three-dimensional and only requires a two-dimensional FE discretization by incorporating Fourier series in the third dimension. In this paper, the algorithm to apply the dynamic analysis to SAFEM was introduced in detail. Asphalt pavement models under moving loads were built in the SAFEM and commercial finite element software ABAQUS to verify the accuracy and efficiency of the SAFEM. The verification shows that the computational accuracy of SAFEM is high enough and its computational time is much shorter than ABAQUS. Moreover, experimental verification was carried out and the prediction derived from SAFEM is consistent with the measurement. Therefore, the SAFEM is feasible to reliably predict the dynamic response of asphalt pavement under moving loads, thus proving beneficial to road administration in assessing the pavement’s state. PMID:28867813

Computer-aided classification of forest cover types from small scale aerial photography

NASA Astrophysics Data System (ADS)

Bliss, John C.; Bonnicksen, Thomas M.; Mace, Thomas H.

1980-11-01

The US National Park Service must map forest cover types over extensive areas in order to fulfill its goal of maintaining or reconstructing presettlement vegetation within national parks and monuments. Furthermore, such cover type maps must be updated on a regular basis to document vegetation changes. Computer-aided classification of small scale aerial photography is a promising technique for generating forest cover type maps efficiently and inexpensively. In this study, seven cover types were classified with an overall accuracy of 62 percent from a reproduction of a 1∶120,000 color infrared transparency of a conifer-hardwood forest. The results were encouraging, given the degraded quality of the photograph and the fact that features were not centered, as well as the lack of information on lens vignetting characteristics to make corrections. Suggestions are made for resolving these problems in future research and applications. In addition, it is hypothesized that the overall accuracy is artificially low because the computer-aided classification more accurately portrayed the intermixing of cover types than the hand-drawn maps to which it was compared.

Acceleration of incremental-pressure-correction incompressible flow computations using a coarse-grid projection method

NASA Astrophysics Data System (ADS)

Kashefi, Ali; Staples, Anne

2016-11-01

Coarse grid projection (CGP) methodology is a novel multigrid method for systems involving decoupled nonlinear evolution equations and linear elliptic equations. The nonlinear equations are solved on a fine grid and the linear equations are solved on a corresponding coarsened grid. Mapping functions transfer data between the two grids. Here we propose a version of CGP for incompressible flow computations using incremental pressure correction methods, called IFEi-CGP (implicit-time-integration, finite-element, incremental coarse grid projection). Incremental pressure correction schemes solve Poisson's equation for an intermediate variable and not the pressure itself. This fact contributes to IFEi-CGP's efficiency in two ways. First, IFEi-CGP preserves the velocity field accuracy even for a high level of pressure field grid coarsening and thus significant speedup is achieved. Second, because incremental schemes reduce the errors that arise from boundaries with artificial homogenous Neumann conditions, CGP generates undamped flows for simulations with velocity Dirichlet boundary conditions. Comparisons of the data accuracy and CPU times for the incremental-CGP versus non-incremental-CGP computations are presented.

Deterministic absorbed dose estimation in computed tomography using a discrete ordinates method

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

Norris, Edward T.; Liu, Xin, E-mail: xinliu@mst.edu; Hsieh, Jiang

Purpose: Organ dose estimation for a patient undergoing computed tomography (CT) scanning is very important. Although Monte Carlo methods are considered gold-standard in patient dose estimation, the computation time required is formidable for routine clinical calculations. Here, the authors instigate a deterministic method for estimating an absorbed dose more efficiently. Methods: Compared with current Monte Carlo methods, a more efficient approach to estimating the absorbed dose is to solve the linear Boltzmann equation numerically. In this study, an axial CT scan was modeled with a software package, Denovo, which solved the linear Boltzmann equation using the discrete ordinates method. Themore » CT scanning configuration included 16 x-ray source positions, beam collimators, flat filters, and bowtie filters. The phantom was the standard 32 cm CT dose index (CTDI) phantom. Four different Denovo simulations were performed with different simulation parameters, including the number of quadrature sets and the order of Legendre polynomial expansions. A Monte Carlo simulation was also performed for benchmarking the Denovo simulations. A quantitative comparison was made of the simulation results obtained by the Denovo and the Monte Carlo methods. Results: The difference in the simulation results of the discrete ordinates method and those of the Monte Carlo methods was found to be small, with a root-mean-square difference of around 2.4%. It was found that the discrete ordinates method, with a higher order of Legendre polynomial expansions, underestimated the absorbed dose near the center of the phantom (i.e., low dose region). Simulations of the quadrature set 8 and the first order of the Legendre polynomial expansions proved to be the most efficient computation method in the authors’ study. The single-thread computation time of the deterministic simulation of the quadrature set 8 and the first order of the Legendre polynomial expansions was 21 min on a personal computer. Conclusions: The simulation results showed that the deterministic method can be effectively used to estimate the absorbed dose in a CTDI phantom. The accuracy of the discrete ordinates method was close to that of a Monte Carlo simulation, and the primary benefit of the discrete ordinates method lies in its rapid computation speed. It is expected that further optimization of this method in routine clinical CT dose estimation will improve its accuracy and speed.« less

Molecular dynamics simulations in hybrid particle-continuum schemes: Pitfalls and caveats

NASA Astrophysics Data System (ADS)

Stalter, S.; Yelash, L.; Emamy, N.; Statt, A.; Hanke, M.; Lukáčová-Medvid'ová, M.; Virnau, P.

2018-03-01

Heterogeneous multiscale methods (HMM) combine molecular accuracy of particle-based simulations with the computational efficiency of continuum descriptions to model flow in soft matter liquids. In these schemes, molecular simulations typically pose a computational bottleneck, which we investigate in detail in this study. We find that it is preferable to simulate many small systems as opposed to a few large systems, and that a choice of a simple isokinetic thermostat is typically sufficient while thermostats such as Lowe-Andersen allow for simulations at elevated viscosity. We discuss suitable choices for time steps and finite-size effects which arise in the limit of very small simulation boxes. We also argue that if colloidal systems are considered as opposed to atomistic systems, the gap between microscopic and macroscopic simulations regarding time and length scales is significantly smaller. We propose a novel reduced-order technique for the coupling to the macroscopic solver, which allows us to approximate a non-linear stress-strain relation efficiently and thus further reduce computational effort of microscopic simulations.

Distributed collaborative probabilistic design for turbine blade-tip radial running clearance using support vector machine of regression

NASA Astrophysics Data System (ADS)

Fei, Cheng-Wei; Bai, Guang-Chen

2014-12-01

To improve the computational precision and efficiency of probabilistic design for mechanical dynamic assembly like the blade-tip radial running clearance (BTRRC) of gas turbine, a distribution collaborative probabilistic design method-based support vector machine of regression (SR)(called as DCSRM) is proposed by integrating distribution collaborative response surface method and support vector machine regression model. The mathematical model of DCSRM is established and the probabilistic design idea of DCSRM is introduced. The dynamic assembly probabilistic design of aeroengine high-pressure turbine (HPT) BTRRC is accomplished to verify the proposed DCSRM. The analysis results reveal that the optimal static blade-tip clearance of HPT is gained for designing BTRRC, and improving the performance and reliability of aeroengine. The comparison of methods shows that the DCSRM has high computational accuracy and high computational efficiency in BTRRC probabilistic analysis. The present research offers an effective way for the reliability design of mechanical dynamic assembly and enriches mechanical reliability theory and method.

Solution of nonlinear time-dependent PDEs through componentwise approximation of matrix functions

NASA Astrophysics Data System (ADS)

Cibotarica, Alexandru; Lambers, James V.; Palchak, Elisabeth M.

2016-09-01

Exponential propagation iterative (EPI) methods provide an efficient approach to the solution of large stiff systems of ODEs, compared to standard integrators. However, the bulk of the computational effort in these methods is due to products of matrix functions and vectors, which can become very costly at high resolution due to an increase in the number of Krylov projection steps needed to maintain accuracy. In this paper, it is proposed to modify EPI methods by using Krylov subspace spectral (KSS) methods, instead of standard Krylov projection methods, to compute products of matrix functions and vectors. Numerical experiments demonstrate that this modification causes the number of Krylov projection steps to become bounded independently of the grid size, thus dramatically improving efficiency and scalability. As a result, for each test problem featured, as the total number of grid points increases, the growth in computation time is just below linear, while other methods achieved this only on selected test problems or not at all.

Quadratic Programming for Allocating Control Effort

NASA Technical Reports Server (NTRS)

Singh, Gurkirpal

2005-01-01

A computer program calculates an optimal allocation of control effort in a system that includes redundant control actuators. The program implements an iterative (but otherwise single-stage) algorithm of the quadratic-programming type. In general, in the quadratic-programming problem, one seeks the values of a set of variables that minimize a quadratic cost function, subject to a set of linear equality and inequality constraints. In this program, the cost function combines control effort (typically quantified in terms of energy or fuel consumed) and control residuals (differences between commanded and sensed values of variables to be controlled). In comparison with prior control-allocation software, this program offers approximately equal accuracy but much greater computational efficiency. In addition, this program offers flexibility, robustness to actuation failures, and a capability for selective enforcement of control requirements. The computational efficiency of this program makes it suitable for such complex, real-time applications as controlling redundant aircraft actuators or redundant spacecraft thrusters. The program is written in the C language for execution in a UNIX operating system.

A diagonal algorithm for the method of pseudocompressibility. [for steady-state solution to incompressible Navier-Stokes equation

NASA Technical Reports Server (NTRS)

Rogers, S. E.; Kwak, D.; Chang, J. L. C.

1986-01-01

The method of pseudocompressibility has been shown to be an efficient method for obtaining a steady-state solution to the incompressible Navier-Stokes equations. Recent improvements to this method include the use of a diagonal scheme for the inversion of the equations at each iteration. The necessary transformations have been derived for the pseudocompressibility equations in generalized coordinates. The diagonal algorithm reduces the computing time necessary to obtain a steady-state solution by a factor of nearly three. Implicit viscous terms are maintained in the equations, and it has become possible to use fourth-order implicit dissipation. The steady-state solution is unchanged by the approximations resulting from the diagonalization of the equations. Computed results for flow over a two-dimensional backward-facing step and a three-dimensional cylinder mounted normal to a flat plate are presented for both the old and new algorithms. The accuracy and computing efficiency of these algorithms are compared.

A fast Fourier transform on multipoles (FFTM) algorithm for solving Helmholtz equation in acoustics analysis.

PubMed

Ong, Eng Teo; Lee, Heow Pueh; Lim, Kian Meng

2004-09-01

This article presents a fast algorithm for the efficient solution of the Helmholtz equation. The method is based on the translation theory of the multipole expansions. Here, the speedup comes from the convolution nature of the translation operators, which can be evaluated rapidly using fast Fourier transform algorithms. Also, the computations of the translation operators are accelerated by using the recursive formulas developed recently by Gumerov and Duraiswami [SIAM J. Sci. Comput. 25, 1344-1381(2003)]. It is demonstrated that the algorithm can produce good accuracy with a relatively low order of expansion. Efficiency analyses of the algorithm reveal that it has computational complexities of O(Na), where a ranges from 1.05 to 1.24. However, this method requires substantially more memory to store the translation operators as compared to the fast multipole method. Hence, despite its simplicity in implementation, this memory requirement issue may limit the application of this algorithm to solving very large-scale problems.

Electron-Ion Dynamics with Time-Dependent Density Functional Theory: Towards Predictive Solar Cell Modeling: Final Technical Report

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

Maitra, Neepa

2016-07-14

This project investigates the accuracy of currently-used functionals in time-dependent density functional theory, which is today routinely used to predict and design materials and computationally model processes in solar energy conversion. The rigorously-based electron-ion dynamics method developed here sheds light on traditional methods and overcomes challenges those methods have. The fundamental research undertaken here is important for building reliable and practical methods for materials discovery. The ultimate goal is to use these tools for the computational design of new materials for solar cell devices of high efficiency.

Forward Period Analysis Method of the Periodic Hamiltonian System.

PubMed

Wang, Pengfei

2016-01-01

Using the forward period analysis (FPA), we obtain the period of a Morse oscillator and mathematical pendulum system, with the accuracy of 100 significant digits. From these results, the long-term [0, 1060] (time unit) solutions, ranging from the Planck time to the age of the universe, are computed reliably and quickly with a parallel multiple-precision Taylor series (PMT) scheme. The application of FPA to periodic systems can greatly reduce the computation time of long-term reliable simulations. This scheme provides an efficient way to generate reference solutions, against which long-term simulations using other schemes can be tested.

Friction damping of two-dimensional motion and its application in vibration control

NASA Technical Reports Server (NTRS)

Menq, C.-H.; Chidamparam, P.; Griffin, J. H.

1991-01-01

This paper presents an approximate method for analyzing the two-dimensional friction contact problem so as to compute the dynamic response of a structure constrained by friction interfaces. The friction force at the joint is formulated based on the Coulomb model. The single-term harmonic balance scheme, together with the receptance approach of decoupling the effect of the friction force on the structure from those of the external forces has been utilized to obtain the steady state response. The computational efficiency and accuracy of the method are demonstrated by comparing the results with long-term time solutions.

Trajectory Segmentation Map-Matching Approach for Large-Scale, High-Resolution GPS Data

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

Zhu, Lei; Holden, Jacob R.; Gonder, Jeffrey D.

With the development of smartphones and portable GPS devices, large-scale, high-resolution GPS data can be collected. Map matching is a critical step in studying vehicle driving activity and recognizing network traffic conditions from the data. A new trajectory segmentation map-matching algorithm is proposed to deal accurately and efficiently with large-scale, high-resolution GPS trajectory data. The new algorithm separated the GPS trajectory into segments. It found the shortest path for each segment in a scientific manner and ultimately generated a best-matched path for the entire trajectory. The similarity of a trajectory segment and its matched path is described by a similaritymore » score system based on the longest common subsequence. The numerical experiment indicated that the proposed map-matching algorithm was very promising in relation to accuracy and computational efficiency. Large-scale data set applications verified that the proposed method is robust and capable of dealing with real-world, large-scale GPS data in a computationally efficient and accurate manner.« less

Trajectory Segmentation Map-Matching Approach for Large-Scale, High-Resolution GPS Data

DOE PAGES

Zhu, Lei; Holden, Jacob R.; Gonder, Jeffrey D.

2017-01-01

With the development of smartphones and portable GPS devices, large-scale, high-resolution GPS data can be collected. Map matching is a critical step in studying vehicle driving activity and recognizing network traffic conditions from the data. A new trajectory segmentation map-matching algorithm is proposed to deal accurately and efficiently with large-scale, high-resolution GPS trajectory data. The new algorithm separated the GPS trajectory into segments. It found the shortest path for each segment in a scientific manner and ultimately generated a best-matched path for the entire trajectory. The similarity of a trajectory segment and its matched path is described by a similaritymore » score system based on the longest common subsequence. The numerical experiment indicated that the proposed map-matching algorithm was very promising in relation to accuracy and computational efficiency. Large-scale data set applications verified that the proposed method is robust and capable of dealing with real-world, large-scale GPS data in a computationally efficient and accurate manner.« less

Enabling smart personalized healthcare: a hybrid mobile-cloud approach for ECG telemonitoring.

PubMed

Wang, Xiaoliang; Gui, Qiong; Liu, Bingwei; Jin, Zhanpeng; Chen, Yu

2014-05-01

The severe challenges of the skyrocketing healthcare expenditure and the fast aging population highlight the needs for innovative solutions supporting more accurate, affordable, flexible, and personalized medical diagnosis and treatment. Recent advances of mobile technologies have made mobile devices a promising tool to manage patients' own health status through services like telemedicine. However, the inherent limitations of mobile devices make them less effective in computation- or data-intensive tasks such as medical monitoring. In this study, we propose a new hybrid mobile-cloud computational solution to enable more effective personalized medical monitoring. To demonstrate the efficacy and efficiency of the proposed approach, we present a case study of mobile-cloud based electrocardiograph monitoring and analysis and develop a mobile-cloud prototype. The experimental results show that the proposed approach can significantly enhance the conventional mobile-based medical monitoring in terms of diagnostic accuracy, execution efficiency, and energy efficiency, and holds the potential in addressing future large-scale data analysis in personalized healthcare.

Full Quantum Dynamics Simulation of a Realistic Molecular System Using the Adaptive Time-Dependent Density Matrix Renormalization Group Method.

PubMed

Yao, Yao; Sun, Ke-Wei; Luo, Zhen; Ma, Haibo

2018-01-18

The accurate theoretical interpretation of ultrafast time-resolved spectroscopy experiments relies on full quantum dynamics simulations for the investigated system, which is nevertheless computationally prohibitive for realistic molecular systems with a large number of electronic and/or vibrational degrees of freedom. In this work, we propose a unitary transformation approach for realistic vibronic Hamiltonians, which can be coped with using the adaptive time-dependent density matrix renormalization group (t-DMRG) method to efficiently evolve the nonadiabatic dynamics of a large molecular system. We demonstrate the accuracy and efficiency of this approach with an example of simulating the exciton dissociation process within an oligothiophene/fullerene heterojunction, indicating that t-DMRG can be a promising method for full quantum dynamics simulation in large chemical systems. Moreover, it is also shown that the proper vibronic features in the ultrafast electronic process can be obtained by simulating the two-dimensional (2D) electronic spectrum by virtue of the high computational efficiency of the t-DMRG method.

Improved Ant Colony Clustering Algorithm and Its Performance Study

PubMed Central

Gao, Wei

2016-01-01

Clustering analysis is used in many disciplines and applications; it is an important tool that descriptively identifies homogeneous groups of objects based on attribute values. The ant colony clustering algorithm is a swarm-intelligent method used for clustering problems that is inspired by the behavior of ant colonies that cluster their corpses and sort their larvae. A new abstraction ant colony clustering algorithm using a data combination mechanism is proposed to improve the computational efficiency and accuracy of the ant colony clustering algorithm. The abstraction ant colony clustering algorithm is used to cluster benchmark problems, and its performance is compared with the ant colony clustering algorithm and other methods used in existing literature. Based on similar computational difficulties and complexities, the results show that the abstraction ant colony clustering algorithm produces results that are not only more accurate but also more efficiently determined than the ant colony clustering algorithm and the other methods. Thus, the abstraction ant colony clustering algorithm can be used for efficient multivariate data clustering. PMID:26839533

An efficient algorithm using matrix methods to solve wind tunnel force-balance equations

NASA Technical Reports Server (NTRS)

Smith, D. L.

1972-01-01

An iterative procedure applying matrix methods to accomplish an efficient algorithm for automatic computer reduction of wind-tunnel force-balance data has been developed. Balance equations are expressed in a matrix form that is convenient for storing balance sensitivities and interaction coefficient values for online or offline batch data reduction. The convergence of the iterative values to a unique solution of this system of equations is investigated, and it is shown that for balances which satisfy the criteria discussed, this type of solution does occur. Methods for making sensitivity adjustments and initial load effect considerations in wind-tunnel applications are also discussed, and the logic for determining the convergence accuracy limits for the iterative solution is given. This more efficient data reduction program is compared with the technique presently in use at the NASA Langley Research Center, and computational times on the order of one-third or less are demonstrated by use of this new program.

Cross-label Suppression: a Discriminative and Fast Dictionary Learning with Group Regularization.

PubMed

Wang, Xiudong; Gu, Yuantao

2017-05-10

This paper addresses image classification through learning a compact and discriminative dictionary efficiently. Given a structured dictionary with each atom (columns in the dictionary matrix) related to some label, we propose crosslabel suppression constraint to enlarge the difference among representations for different classes. Meanwhile, we introduce group regularization to enforce representations to preserve label properties of original samples, meaning the representations for the same class are encouraged to be similar. Upon the cross-label suppression, we don't resort to frequently-used `0-norm or `1- norm for coding, and obtain computational efficiency without losing the discriminative power for categorization. Moreover, two simple classification schemes are also developed to take full advantage of the learnt dictionary. Extensive experiments on six data sets including face recognition, object categorization, scene classification, texture recognition and sport action categorization are conducted, and the results show that the proposed approach can outperform lots of recently presented dictionary algorithms on both recognition accuracy and computational efficiency.

Hybrid soft computing systems for electromyographic signals analysis: a review.

PubMed

Xie, Hong-Bo; Guo, Tianruo; Bai, Siwei; Dokos, Socrates

2014-02-03

Electromyographic (EMG) is a bio-signal collected on human skeletal muscle. Analysis of EMG signals has been widely used to detect human movement intent, control various human-machine interfaces, diagnose neuromuscular diseases, and model neuromusculoskeletal system. With the advances of artificial intelligence and soft computing, many sophisticated techniques have been proposed for such purpose. Hybrid soft computing system (HSCS), the integration of these different techniques, aims to further improve the effectiveness, efficiency, and accuracy of EMG analysis. This paper reviews and compares key combinations of neural network, support vector machine, fuzzy logic, evolutionary computing, and swarm intelligence for EMG analysis. Our suggestions on the possible future development of HSCS in EMG analysis are also given in terms of basic soft computing techniques, further combination of these techniques, and their other applications in EMG analysis.

Hybrid soft computing systems for electromyographic signals analysis: a review

PubMed Central

2014-01-01

Electromyographic (EMG) is a bio-signal collected on human skeletal muscle. Analysis of EMG signals has been widely used to detect human movement intent, control various human-machine interfaces, diagnose neuromuscular diseases, and model neuromusculoskeletal system. With the advances of artificial intelligence and soft computing, many sophisticated techniques have been proposed for such purpose. Hybrid soft computing system (HSCS), the integration of these different techniques, aims to further improve the effectiveness, efficiency, and accuracy of EMG analysis. This paper reviews and compares key combinations of neural network, support vector machine, fuzzy logic, evolutionary computing, and swarm intelligence for EMG analysis. Our suggestions on the possible future development of HSCS in EMG analysis are also given in terms of basic soft computing techniques, further combination of these techniques, and their other applications in EMG analysis. PMID:24490979

Capability of GPGPU for Faster Thermal Analysis Used in Data Assimilation

NASA Astrophysics Data System (ADS)

Takaki, Ryoji; Akita, Takeshi; Shima, Eiji

A thermal mathematical model plays an important role in operations on orbit as well as spacecraft thermal designs. The thermal mathematical model has some uncertain thermal characteristic parameters, such as thermal contact resistances between components, effective emittances of multilayer insulation (MLI) blankets, discouraging make up efficiency and accuracy of the model. A particle filter which is one of successive data assimilation methods has been applied to construct spacecraft thermal mathematical models. This method conducts a lot of ensemble computations, which require large computational power. Recently, General Purpose computing in Graphics Processing Unit (GPGPU) has been attracted attention in high performance computing. Therefore GPGPU is applied to increase the computational speed of thermal analysis used in the particle filter. This paper shows the speed-up results by using GPGPU as well as the application method of GPGPU.

New Parallel Algorithms for Structural Analysis and Design of Aerospace Structures

NASA Technical Reports Server (NTRS)

Nguyen, Duc T.

1998-01-01

Subspace and Lanczos iterations have been developed, well documented, and widely accepted as efficient methods for obtaining p-lowest eigen-pair solutions of large-scale, practical engineering problems. The focus of this paper is to incorporate recent developments in vectorized sparse technologies in conjunction with Subspace and Lanczos iterative algorithms for computational enhancements. Numerical performance, in terms of accuracy and efficiency of the proposed sparse strategies for Subspace and Lanczos algorithm, is demonstrated by solving for the lowest frequencies and mode shapes of structural problems on the IBM-R6000/590 and SunSparc 20 workstations.

Reduced basis ANOVA methods for partial differential equations with high-dimensional random inputs

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

Liao, Qifeng, E-mail: liaoqf@shanghaitech.edu.cn; Lin, Guang, E-mail: guanglin@purdue.edu

2016-07-15

In this paper we present a reduced basis ANOVA approach for partial deferential equations (PDEs) with random inputs. The ANOVA method combined with stochastic collocation methods provides model reduction in high-dimensional parameter space through decomposing high-dimensional inputs into unions of low-dimensional inputs. In this work, to further reduce the computational cost, we investigate spatial low-rank structures in the ANOVA-collocation method, and develop efficient spatial model reduction techniques using hierarchically generated reduced bases. We present a general mathematical framework of the methodology, validate its accuracy and demonstrate its efficiency with numerical experiments.

Efficient Kriging via Fast Matrix-Vector Products

NASA Technical Reports Server (NTRS)

Memarsadeghi, Nargess; Raykar, Vikas C.; Duraiswami, Ramani; Mount, David M.

2008-01-01

Interpolating scattered data points is a problem of wide ranging interest. Ordinary kriging is an optimal scattered data estimator, widely used in geosciences and remote sensing. A generalized version of this technique, called cokriging, can be used for image fusion of remotely sensed data. However, it is computationally very expensive for large data sets. We demonstrate the time efficiency and accuracy of approximating ordinary kriging through the use of fast matrixvector products combined with iterative methods. We used methods based on the fast Multipole methods and nearest neighbor searching techniques for implementations of the fast matrix-vector products.

An efficient numerical scheme for the study of equal width equation

NASA Astrophysics Data System (ADS)

Ghafoor, Abdul; Haq, Sirajul

2018-06-01

In this work a new numerical scheme is proposed in which Haar wavelet method is coupled with finite difference scheme for the solution of a nonlinear partial differential equation. The scheme transforms the partial differential equation to a system of algebraic equations which can be solved easily. The technique is applied to equal width equation in order to study the behaviour of one, two, three solitary waves, undular bore and soliton collision. For efficiency and accuracy of the scheme, L2 and L∞ norms and invariants are computed. The results obtained are compared with already existing results in literature.

On the use of reverse Brownian motion to accelerate hybrid simulations

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

Bakarji, Joseph; Tartakovsky, Daniel M., E-mail: tartakovsky@stanford.edu

Multiscale and multiphysics simulations are two rapidly developing fields of scientific computing. Efficient coupling of continuum (deterministic or stochastic) constitutive solvers with their discrete (stochastic, particle-based) counterparts is a common challenge in both kinds of simulations. We focus on interfacial, tightly coupled simulations of diffusion that combine continuum and particle-based solvers. The latter employs the reverse Brownian motion (rBm), a Monte Carlo approach that allows one to enforce inhomogeneous Dirichlet, Neumann, or Robin boundary conditions and is trivially parallelizable. We discuss numerical approaches for improving the accuracy of rBm in the presence of inhomogeneous Neumann boundary conditions and alternative strategiesmore » for coupling the rBm solver with its continuum counterpart. Numerical experiments are used to investigate the convergence, stability, and computational efficiency of the proposed hybrid algorithm.« less

Optimization of the molecular dynamics method for simulations of DNA and ion transport through biological nanopores.

PubMed

Wells, David B; Bhattacharya, Swati; Carr, Rogan; Maffeo, Christopher; Ho, Anthony; Comer, Jeffrey; Aksimentiev, Aleksei

2012-01-01

Molecular dynamics (MD) simulations have become a standard method for the rational design and interpretation of experimental studies of DNA translocation through nanopores. The MD method, however, offers a multitude of algorithms, parameters, and other protocol choices that can affect the accuracy of the resulting data as well as computational efficiency. In this chapter, we examine the most popular choices offered by the MD method, seeking an optimal set of parameters that enable the most computationally efficient and accurate simulations of DNA and ion transport through biological nanopores. In particular, we examine the influence of short-range cutoff, integration timestep and force field parameters on the temperature and concentration dependence of bulk ion conductivity, ion pairing, ion solvation energy, DNA structure, DNA-ion interactions, and the ionic current through a nanopore.

Evaluation of a Multigrid Scheme for the Incompressible Navier-Stokes Equations

NASA Technical Reports Server (NTRS)

Swanson, R. C.

2004-01-01

A fast multigrid solver for the steady, incompressible Navier-Stokes equations is presented. The multigrid solver is based upon a factorizable discrete scheme for the velocity-pressure form of the Navier-Stokes equations. This scheme correctly distinguishes between the advection-diffusion and elliptic parts of the operator, allowing efficient smoothers to be constructed. To evaluate the multigrid algorithm, solutions are computed for flow over a flat plate, parabola, and a Karman-Trefftz airfoil. Both nonlifting and lifting airfoil flows are considered, with a Reynolds number range of 200 to 800. Convergence and accuracy of the algorithm are discussed. Using Gauss-Seidel line relaxation in alternating directions, multigrid convergence behavior approaching that of O(N) methods is achieved. The computational efficiency of the numerical scheme is compared with that of Runge-Kutta and implicit upwind based multigrid methods.

Performance advantages of CPML over UPML absorbing boundary conditions in FDTD algorithm

NASA Astrophysics Data System (ADS)

Gvozdic, Branko D.; Djurdjevic, Dusan Z.

2017-01-01

Implementation of absorbing boundary condition (ABC) has a very important role in simulation performance and accuracy in finite difference time domain (FDTD) method. The perfectly matched layer (PML) is the most efficient type of ABC. The aim of this paper is to give detailed insight in and discussion of boundary conditions and hence to simplify the choice of PML used for termination of computational domain in FDTD method. In particular, we demonstrate that using the convolutional PML (CPML) has significant advantages in terms of implementation in FDTD method and reducing computer resources than using uniaxial PML (UPML). An extensive number of numerical experiments has been performed and results have shown that CPML is more efficient in electromagnetic waves absorption. Numerical code is prepared, several problems are analyzed and relative error is calculated and presented.

Quasi-model free control for the post-capture operation of a non-cooperative target

NASA Astrophysics Data System (ADS)

She, Yuchen; Sun, Jun; Li, Shuang; Li, Wendan; Song, Ting

2018-06-01

This paper investigates a quasi-model free control (QMFC) approach for the post-capture control of a non-cooperative space object. The innovation of this paper lies in the following three aspects, which correspond to the three challenges presented in the mission scenario. First, an excitation-response mapping search strategy is developed based on the linearization of the system in terms of a set of parameters, which is efficient in handling the combined spacecraft with a high coupling effect on the inertia matrix. Second, a virtual coordinate system is proposed to efficiently compute the center of mass (COM) of the combined system, which improves the COM tracking efficiency for time-varying COM positions. Third, a linear online corrector is built to reduce the control error to further improve the control accuracy, which helps control the tracking mode within the combined system's time-varying inertia matrix. Finally, simulation analyses show that the proposed control framework is able to realize combined spacecraft post-capture control in extremely unfavorable conditions with high control accuracy.

Solving Upwind-Biased Discretizations. 2; Multigrid Solver Using Semicoarsening

NASA Technical Reports Server (NTRS)

Diskin, Boris

1999-01-01

This paper studies a novel multigrid approach to the solution for a second order upwind biased discretization of the convection equation in two dimensions. This approach is based on semi-coarsening and well balanced explicit correction terms added to coarse-grid operators to maintain on coarse-grid the same cross-characteristic interaction as on the target (fine) grid. Colored relaxation schemes are used on all the levels allowing a very efficient parallel implementation. The results of the numerical tests can be summarized as follows: 1) The residual asymptotic convergence rate of the proposed V(0, 2) multigrid cycle is about 3 per cycle. This convergence rate far surpasses the theoretical limit (4/3) predicted for standard multigrid algorithms using full coarsening. The reported efficiency does not deteriorate with increasing the cycle, depth (number of levels) and/or refining the target-grid mesh spacing. 2) The full multi-grid algorithm (FMG) with two V(0, 2) cycles on the target grid and just one V(0, 2) cycle on all the coarse grids always provides an approximate solution with the algebraic error less than the discretization error. Estimates of the total work in the FMG algorithm are ranged between 18 and 30 minimal work units (depending on the target (discretizatioin). Thus, the overall efficiency of the FMG solver closely approaches (if does not achieve) the goal of the textbook multigrid efficiency. 3) A novel approach to deriving a discrete solution approximating the true continuous solution with a relative accuracy given in advance is developed. An adaptive multigrid algorithm (AMA) using comparison of the solutions on two successive target grids to estimate the accuracy of the current target-grid solution is defined. A desired relative accuracy is accepted as an input parameter. The final target grid on which this accuracy can be achieved is chosen automatically in the solution process. the actual relative accuracy of the discrete solution approximation obtained by AMA is always better than the required accuracy; the computational complexity of the AMA algorithm is (nearly) optimal (comparable with the complexity of the FMG algorithm applied to solve the problem on the optimally spaced target grid).

A computer vision for animal ecology.

PubMed

Weinstein, Ben G

2018-05-01

A central goal of animal ecology is to observe species in the natural world. The cost and challenge of data collection often limit the breadth and scope of ecological study. Ecologists often use image capture to bolster data collection in time and space. However, the ability to process these images remains a bottleneck. Computer vision can greatly increase the efficiency, repeatability and accuracy of image review. Computer vision uses image features, such as colour, shape and texture to infer image content. I provide a brief primer on ecological computer vision to outline its goals, tools and applications to animal ecology. I reviewed 187 existing applications of computer vision and divided articles into ecological description, counting and identity tasks. I discuss recommendations for enhancing the collaboration between ecologists and computer scientists and highlight areas for future growth of automated image analysis. © 2017 The Author. Journal of Animal Ecology © 2017 British Ecological Society.

SU-F-T-193: Evaluation of a GPU-Based Fast Monte Carlo Code for Proton Therapy Biological Optimization

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

Taleei, R; Qin, N; Jiang, S

2016-06-15

Purpose: Biological treatment plan optimization is of great interest for proton therapy. It requires extensive Monte Carlo (MC) simulations to compute physical dose and biological quantities. Recently, a gPMC package was developed for rapid MC dose calculations on a GPU platform. This work investigated its suitability for proton therapy biological optimization in terms of accuracy and efficiency. Methods: We performed simulations of a proton pencil beam with energies of 75, 150 and 225 MeV in a homogeneous water phantom using gPMC and FLUKA. Physical dose and energy spectra for each ion type on the central beam axis were scored. Relativemore » Biological Effectiveness (RBE) was calculated using repair-misrepair-fixation model. Microdosimetry calculations were performed using Monte Carlo Damage Simulation (MCDS). Results: Ranges computed by the two codes agreed within 1 mm. Physical dose difference was less than 2.5 % at the Bragg peak. RBE-weighted dose agreed within 5 % at the Bragg peak. Differences in microdosimetric quantities such as dose average lineal energy transfer and specific energy were < 10%. The simulation time per source particle with FLUKA was 0.0018 sec, while gPMC was ∼ 600 times faster. Conclusion: Physical dose computed by FLUKA and gPMC were in a good agreement. The RBE differences along the central axis were small, and RBE-weighted dose difference was found to be acceptable. The combined accuracy and efficiency makes gPMC suitable for proton therapy biological optimization.« less

A multi-resolution approach to electromagnetic modelling

NASA Astrophysics Data System (ADS)

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

2018-07-01

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

Overview of the NASA Glenn Flux Reconstruction Based High-Order Unstructured Grid Code

NASA Technical Reports Server (NTRS)

Spiegel, Seth C.; DeBonis, James R.; Huynh, H. T.

2016-01-01

A computational fluid dynamics code based on the flux reconstruction (FR) method is currently being developed at NASA Glenn Research Center to ultimately provide a large- eddy simulation capability that is both accurate and efficient for complex aeropropulsion flows. The FR approach offers a simple and efficient method that is easy to implement and accurate to an arbitrary order on common grid cell geometries. The governing compressible Navier-Stokes equations are discretized in time using various explicit Runge-Kutta schemes, with the default being the 3-stage/3rd-order strong stability preserving scheme. The code is written in modern Fortran (i.e., Fortran 2008) and parallelization is attained through MPI for execution on distributed-memory high-performance computing systems. An h- refinement study of the isentropic Euler vortex problem is able to empirically demonstrate the capability of the FR method to achieve super-accuracy for inviscid flows. Additionally, the code is applied to the Taylor-Green vortex problem, performing numerous implicit large-eddy simulations across a range of grid resolutions and solution orders. The solution found by a pseudo-spectral code is commonly used as a reference solution to this problem, and the FR code is able to reproduce this solution using approximately the same grid resolution. Finally, an examination of the code's performance demonstrates good parallel scaling, as well as an implementation of the FR method with a computational cost/degree- of-freedom/time-step that is essentially independent of the solution order of accuracy for structured geometries.

High-Order Accurate Solutions to the Helmholtz Equation in the Presence of Boundary Singularities

NASA Astrophysics Data System (ADS)

Britt, Darrell Steven, Jr.

Problems of time-harmonic wave propagation arise in important fields of study such as geological surveying, radar detection/evasion, and aircraft design. These often involve highfrequency waves, which demand high-order methods to mitigate the dispersion error. We propose a high-order method for computing solutions to the variable-coefficient inhomogeneous Helmholtz equation in two dimensions on domains bounded by piecewise smooth curves of arbitrary shape with a finite number of boundary singularities at known locations. We utilize compact finite difference (FD) schemes on regular structured grids to achieve highorder accuracy due to their efficiency and simplicity, as well as the capability to approximate variable-coefficient differential operators. In this work, a 4th-order compact FD scheme for the variable-coefficient Helmholtz equation on a Cartesian grid in 2D is derived and tested. The well known limitation of finite differences is that they lose accuracy when the boundary curve does not coincide with the discretization grid, which is a severe restriction on the geometry of the computational domain. Therefore, the algorithm presented in this work combines high-order FD schemes with the method of difference potentials (DP), which retains the efficiency of FD while allowing for boundary shapes that are not aligned with the grid without sacrificing the accuracy of the FD scheme. Additionally, the theory of DP allows for the universal treatment of the boundary conditions. One of the significant contributions of this work is the development of an implementation that accommodates general boundary conditions (BCs). In particular, Robin BCs with discontinuous coefficients are studied, for which we introduce a piecewise parameterization of the boundary curve. Problems with discontinuities in the boundary data itself are also studied. We observe that the design convergence rate suffers whenever the solution loses regularity due to the boundary conditions. This is because the FD scheme is only consistent for classical solutions of the PDE. For this reason, we implement the method of singularity subtraction as a means for restoring the design accuracy of the scheme in the presence of singularities at the boundary. While this method is well studied for low order methods and for problems in which singularities arise from the geometry (e.g., corners), we adapt it to our high-order scheme for curved boundaries via a conformal mapping and show that it can also be used to restore accuracy when the singularity arises from the BCs rather than the geometry. Altogether, the proposed methodology for 2D boundary value problems is computationally efficient, easily handles a wide class of boundary conditions and boundary shapes that are not aligned with the discretization grid, and requires little modification for solving new problems.

Rate constants of chemical reactions from semiclassical transition state theory in full and one dimension.

PubMed

Greene, Samuel M; Shan, Xiao; Clary, David C

2016-06-28

Semiclassical Transition State Theory (SCTST), a method for calculating rate constants of chemical reactions, offers gains in computational efficiency relative to more accurate quantum scattering methods. In full-dimensional (FD) SCTST, reaction probabilities are calculated from third and fourth potential derivatives along all vibrational degrees of freedom. However, the computational cost of FD SCTST scales unfavorably with system size, which prohibits its application to larger systems. In this study, the accuracy and efficiency of 1-D SCTST, in which only third and fourth derivatives along the reaction mode are used, are investigated in comparison to those of FD SCTST. Potential derivatives are obtained from numerical ab initio Hessian matrix calculations at the MP2/cc-pVTZ level of theory, and Richardson extrapolation is applied to improve the accuracy of these derivatives. Reaction barriers are calculated at the CCSD(T)/cc-pVTZ level. Results from FD SCTST agree with results from previous theoretical and experimental studies when Richardson extrapolation is applied. Results from our implementation of 1-D SCTST, which uses only 4 single-point MP2/cc-pVTZ energy calculations in addition to those for conventional TST, agree with FD results to within a factor of 5 at 250 K. This degree of agreement and the efficiency of the 1-D method suggest its potential as a means of approximating rate constants for systems too large for existing quantum scattering methods.

Computational Particle Dynamic Simulations on Multicore Processors (CPDMu) Final Report Phase I

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

Schmalz, Mark S

2011-07-24

Statement of Problem - Department of Energy has many legacy codes for simulation of computational particle dynamics and computational fluid dynamics applications that are designed to run on sequential processors and are not easily parallelized. Emerging high-performance computing architectures employ massively parallel multicore architectures (e.g., graphics processing units) to increase throughput. Parallelization of legacy simulation codes is a high priority, to achieve compatibility, efficiency, accuracy, and extensibility. General Statement of Solution - A legacy simulation application designed for implementation on mainly-sequential processors has been represented as a graph G. Mathematical transformations, applied to G, produce a graph representation {und G}more » for a high-performance architecture. Key computational and data movement kernels of the application were analyzed/optimized for parallel execution using the mapping G {yields} {und G}, which can be performed semi-automatically. This approach is widely applicable to many types of high-performance computing systems, such as graphics processing units or clusters comprised of nodes that contain one or more such units. Phase I Accomplishments - Phase I research decomposed/profiled computational particle dynamics simulation code for rocket fuel combustion into low and high computational cost regions (respectively, mainly sequential and mainly parallel kernels), with analysis of space and time complexity. Using the research team's expertise in algorithm-to-architecture mappings, the high-cost kernels were transformed, parallelized, and implemented on Nvidia Fermi GPUs. Measured speedups (GPU with respect to single-core CPU) were approximately 20-32X for realistic model parameters, without final optimization. Error analysis showed no loss of computational accuracy. Commercial Applications and Other Benefits - The proposed research will constitute a breakthrough in solution of problems related to efficient parallel computation of particle and fluid dynamics simulations. These problems occur throughout DOE, military and commercial sectors: the potential payoff is high. We plan to license or sell the solution to contractors for military and domestic applications such as disaster simulation (aerodynamic and hydrodynamic), Government agencies (hydrological and environmental simulations), and medical applications (e.g., in tomographic image reconstruction). Keywords - High-performance Computing, Graphic Processing Unit, Fluid/Particle Simulation. Summary for Members of Congress - Department of Energy has many simulation codes that must compute faster, to be effective. The Phase I research parallelized particle/fluid simulations for rocket combustion, for high-performance computing systems.« less

GPU-accelerated Modeling and Element-free Reverse-time Migration with Gauss Points Partition

NASA Astrophysics Data System (ADS)

Zhen, Z.; Jia, X.

2014-12-01

Element-free method (EFM) has been applied to seismic modeling and migration. Compared with finite element method (FEM) and finite difference method (FDM), it is much cheaper and more flexible because only the information of the nodes and the boundary of the study area are required in computation. In the EFM, the number of Gauss points should be consistent with the number of model nodes; otherwise the accuracy of the intermediate coefficient matrices would be harmed. Thus when we increase the nodes of velocity model in order to obtain higher resolution, we find that the size of the computer's memory will be a bottleneck. The original EFM can deal with at most 81×81 nodes in the case of 2G memory, as tested by Jia and Hu (2006). In order to solve the problem of storage and computation efficiency, we propose a concept of Gauss points partition (GPP), and utilize the GPUs to improve the computation efficiency. Considering the characteristics of the Gaussian points, the GPP method doesn't influence the propagation of seismic wave in the velocity model. To overcome the time-consuming computation of the stiffness matrix (K) and the mass matrix (M), we also use the GPUs in our computation program. We employ the compressed sparse row (CSR) format to compress the intermediate sparse matrices and try to simplify the operations by solving the linear equations with the CULA Sparse's Conjugate Gradient (CG) solver instead of the linear sparse solver 'PARDISO'. It is observed that our strategy can significantly reduce the computational time of K and Mcompared with the algorithm based on CPU. The model tested is Marmousi model. The length of the model is 7425m and the depth is 2990m. We discretize the model with 595x298 nodes, 300x300 Gauss cells and 3x3 Gauss points in each cell. In contrast to the computational time of the conventional EFM, the GPUs-GPP approach can substantially improve the efficiency. The speedup ratio of time consumption of computing K, M is 120 and the speedup ratio time consumption of RTM is 11.5. At the same time, the accuracy of imaging is not harmed. Another advantage of the GPUs-GPP method is its easy applications in other numerical methods such as the FEM. Finally, in the GPUs-GPP method, the arrays require quite limited memory storage, which makes the method promising in dealing with large-scale 3D problems.

Improved Collision-Detection Method for Robotic Manipulator

NASA Technical Reports Server (NTRS)

Leger, Chris

2003-01-01

An improved method has been devised for the computational prediction of a collision between (1) a robotic manipulator and (2) another part of the robot or an external object in the vicinity of the robot. The method is intended to be used to test commanded manipulator trajectories in advance so that execution of the commands can be stopped before damage is done. The method involves utilization of both (1) mathematical models of the robot and its environment constructed manually prior to operation and (2) similar models constructed automatically from sensory data acquired during operation. The representation of objects in this method is simpler and more efficient (with respect to both computation time and computer memory), relative to the representations used in most prior methods. The present method was developed especially for use on a robotic land vehicle (rover) equipped with a manipulator arm and a vision system that includes stereoscopic electronic cameras. In this method, objects are represented and collisions detected by use of a previously developed technique known in the art as the method of oriented bounding boxes (OBBs). As the name of this technique indicates, an object is represented approximately, for computational purposes, by a box that encloses its outer boundary. Because many parts of a robotic manipulator are cylindrical, the OBB method has been extended in this method to enable the approximate representation of cylindrical parts by use of octagonal or other multiple-OBB assemblies denoted oriented bounding prisms (OBPs), as in the example of Figure 1. Unlike prior methods, the OBB/OBP method does not require any divisions or transcendental functions; this feature leads to greater robustness and numerical accuracy. The OBB/OBP method was selected for incorporation into the present method because it offers the best compromise between accuracy on the one hand and computational efficiency (and thus computational speed) on the other hand.

Gradient Optimization for Analytic conTrols - GOAT

NASA Astrophysics Data System (ADS)

Assémat, Elie; Machnes, Shai; Tannor, David; Wilhelm-Mauch, Frank

Quantum optimal control becomes a necessary step in a number of studies in the quantum realm. Recent experimental advances showed that superconducting qubits can be controlled with an impressive accuracy. However, most of the standard optimal control algorithms are not designed to manage such high accuracy. To tackle this issue, a novel quantum optimal control algorithm have been introduced: the Gradient Optimization for Analytic conTrols (GOAT). It avoids the piecewise constant approximation of the control pulse used by standard algorithms. This allows an efficient implementation of very high accuracy optimization. It also includes a novel method to compute the gradient that provides many advantages, e.g. the absence of backpropagation or the natural route to optimize the robustness of the control pulses. This talk will present the GOAT algorithm and a few applications to transmons systems.

A numerical comparison of discrete Kalman filtering algorithms: An orbit determination case study

NASA Technical Reports Server (NTRS)

Thornton, C. L.; Bierman, G. J.

1976-01-01

The numerical stability and accuracy of various Kalman filter algorithms are thoroughly studied. Numerical results and conclusions are based on a realistic planetary approach orbit determination study. The case study results of this report highlight the numerical instability of the conventional and stabilized Kalman algorithms. Numerical errors associated with these algorithms can be so large as to obscure important mismodeling effects and thus give misleading estimates of filter accuracy. The positive result of this study is that the Bierman-Thornton U-D covariance factorization algorithm is computationally efficient, with CPU costs that differ negligibly from the conventional Kalman costs. In addition, accuracy of the U-D filter using single-precision arithmetic consistently matches the double-precision reference results. Numerical stability of the U-D filter is further demonstrated by its insensitivity of variations in the a priori statistics.

Reliable use of determinants to solve nonlinear structural eigenvalue problems efficiently

NASA Technical Reports Server (NTRS)

Williams, F. W.; Kennedy, D.

1988-01-01

The analytical derivation, numerical implementation, and performance of a multiple-determinant parabolic interpolation method (MDPIM) for use in solving transcendental eigenvalue (critical buckling or undamped free vibration) problems in structural mechanics are presented. The overall bounding, eigenvalue-separation, qualified parabolic interpolation, accuracy-confirmation, and convergence-recovery stages of the MDPIM are described in detail, and the numbers of iterations required to solve sample plane-frame problems using the MDPIM are compared with those for a conventional bisection method and for the Newtonian method of Simpson (1984) in extensive tables. The MDPIM is shown to use 31 percent less computation time than bisection when accuracy of 0.0001 is required, but 62 percent less when accuracy of 10 to the -8th is required; the time savings over the Newtonian method are about 10 percent.

Disentangling Complexity in Bayesian Automatic Adaptive Quadrature

NASA Astrophysics Data System (ADS)

Adam, Gheorghe; Adam, Sanda

2018-02-01

The paper describes a Bayesian automatic adaptive quadrature (BAAQ) solution for numerical integration which is simultaneously robust, reliable, and efficient. Detailed discussion is provided of three main factors which contribute to the enhancement of these features: (1) refinement of the m-panel automatic adaptive scheme through the use of integration-domain-length-scale-adapted quadrature sums; (2) fast early problem complexity assessment - enables the non-transitive choice among three execution paths: (i) immediate termination (exceptional cases); (ii) pessimistic - involves time and resource consuming Bayesian inference resulting in radical reformulation of the problem to be solved; (iii) optimistic - asks exclusively for subrange subdivision by bisection; (3) use of the weaker accuracy target from the two possible ones (the input accuracy specifications and the intrinsic integrand properties respectively) - results in maximum possible solution accuracy under minimum possible computing time.

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

Treesearch

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

2009-01-01

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

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

Freitez, Juan A.; Sanchez, Morella; Ruette, Fernando

Application of simulated annealing (SA) and simplified GSA (SGSA) techniques for parameter optimization of parametric quantum chemistry method (CATIVIC) was performed. A set of organic molecules were selected for test these techniques. Comparison of the algorithms was carried out for error function minimization with respect to experimental values. Results show that SGSA is more efficient than SA with respect to computer time. Accuracy is similar in both methods; however, there are important differences in the final set of parameters.

Edge control in a computer controlled optical surfacing process using a heterocercal tool influence function.

PubMed

Hu, Haixiang; Zhang, Xin; Ford, Virginia; Luo, Xiao; Qi, Erhui; Zeng, Xuefeng; Zhang, Xuejun

2016-11-14

Edge effect is regarded as one of the most difficult technical issues in a computer controlled optical surfacing (CCOS) process. Traditional opticians have to even up the consequences of the two following cases. Operating CCOS in a large overhang condition affects the accuracy of material removal, while in a small overhang condition, it achieves a more accurate performance, but leaves a narrow rolled-up edge, which takes time and effort to remove. In order to control the edge residuals in the latter case, we present a new concept of the 'heterocercal' tool influence function (TIF). Generated from compound motion equipment, this type of TIF can 'transfer' the material removal from the inner place to the edge, meanwhile maintaining the high accuracy and efficiency of CCOS. We call it the 'heterocercal' TIF, because of the inspiration from the heterocercal tails of sharks, whose upper lobe provides most of the explosive power. The heterocercal TIF was theoretically analyzed, and physically realized in CCOS facilities. Experimental and simulation results showed good agreement. It enables significant control of the edge effect and convergence of entire surface errors in large tool-to-mirror size-ratio conditions. This improvement will largely help manufacturing efficiency in some extremely large optical system projects, like the tertiary mirror of the Thirty Meter Telescope.

Euler Technology Assessment for Preliminary Aircraft Design-Unstructured/Structured Grid NASTD Application for Aerodynamic Analysis of an Advanced Fighter/Tailless Configuration

NASA Technical Reports Server (NTRS)

Michal, Todd R.

1998-01-01

This study supports the NASA Langley sponsored project aimed at determining the viability of using Euler technology for preliminary design use. The primary objective of this study was to assess the accuracy and efficiency of the Boeing, St. Louis unstructured grid flow field analysis system, consisting of the MACGS grid generation and NASTD flow solver codes. Euler solutions about the Aero Configuration/Weapons Fighter Technology (ACWFT) 1204 aircraft configuration were generated. Several variations of the geometry were investigated including a standard wing, cambered wing, deflected elevon, and deflected body flap. A wide range of flow conditions, most of which were in the non-linear regimes of the flight envelope, including variations in speed (subsonic, transonic, supersonic), angles of attack, and sideslip were investigated. Several flowfield non-linearities were present in these solutions including shock waves, vortical flows and the resulting interactions. The accuracy of this method was evaluated by comparing solutions with test data and Navier-Stokes solutions. The ability to accurately predict lateral-directional characteristics and control effectiveness was investigated by computing solutions with sideslip, and with deflected control surfaces. Problem set up times and computational resource requirements were documented and used to evaluate the efficiency of this approach for use in the fast paced preliminary design environment.

Carrier-separating demodulation of phase shifting self-mixing interferometry

NASA Astrophysics Data System (ADS)

Tao, Yufeng; Wang, Ming; Xia, Wei

2017-03-01

A carrier separating method associated with noise-elimination had been introduced into a sinusoidal phase-shifting self-mixing interferometer. The conventional sinusoidal phase shifting self-mixing interferometry was developed into a more competitive instrument with high computing efficiency and nanometer accuracy of λ / 100 in dynamical vibration measurement. The high slew rate electro-optic modulator induced a sinusoidal phase carrier with ultralow insertion loss in this paper. In order to extract phase-shift quickly and precisely, this paper employed the carrier-separating to directly generate quadrature signals without complicated frequency domain transforms. Moreover, most noises were evaluated and suppressed by a noise-elimination technology synthesizing empirical mode decomposition with wavelet transform. The overall laser system was described and inherent advantages such as high computational efficiency and decreased nonlinear errors of the established system were demonstrated. The experiment implemented on a high precision PZT (positioning accuracy was better than 1 nm) and compared with laser Doppler velocity meter. The good agreement of two instruments shown that the short-term resolution had improved from 10 nm to 1.5 nm in dynamic vibration measurement with reduced time expense. This was useful in precision measurement to improve the SMI with same sampling rate. The proposed signal processing was performed in pure time-domain requiring no preprocessing electronic circuits.

A Reconstructed Discontinuous Galerkin Method for the Compressible Euler Equations on Arbitrary Grids

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

Hong Luo; Luquing Luo; Robert Nourgaliev

2009-06-01

A reconstruction-based discontinuous Galerkin (DG) method is presented for the solution of the compressible Euler equations on arbitrary grids. By taking advantage of handily available and yet invaluable information, namely the derivatives, in the context of the discontinuous Galerkin methods, a solution polynomial of one degree higher is reconstructed using a least-squares method. The stencils used in the reconstruction involve only the van Neumann neighborhood (face-neighboring cells) and are compact and consistent with the underlying DG method. The resulting DG method can be regarded as an improvement of a recovery-based DG method in the sense that it shares the samemore » nice features as the recovery-based DG method, such as high accuracy and efficiency, and yet overcomes some of its shortcomings such as a lack of flexibility, compactness, and robustness. The developed DG method is used to compute a variety of flow problems on arbitrary meshes to demonstrate the accuracy and efficiency of the method. The numerical results indicate that this reconstructed DG method is able to obtain a third-order accurate solution at a slightly higher cost than its second-order DG method and provide an increase in performance over the third order DG method in terms of computing time and storage requirement.« less

Speeding Up the Bilateral Filter: A Joint Acceleration Way.

PubMed

Dai, Longquan; Yuan, Mengke; Zhang, Xiaopeng

2016-06-01

Computational complexity of the brute-force implementation of the bilateral filter (BF) depends on its filter kernel size. To achieve the constant-time BF whose complexity is irrelevant to the kernel size, many techniques have been proposed, such as 2D box filtering, dimension promotion, and shiftability property. Although each of the above techniques suffers from accuracy and efficiency problems, previous algorithm designers were used to take only one of them to assemble fast implementations due to the hardness of combining them together. Hence, no joint exploitation of these techniques has been proposed to construct a new cutting edge implementation that solves these problems. Jointly employing five techniques: kernel truncation, best N-term approximation as well as previous 2D box filtering, dimension promotion, and shiftability property, we propose a unified framework to transform BF with arbitrary spatial and range kernels into a set of 3D box filters that can be computed in linear time. To the best of our knowledge, our algorithm is the first method that can integrate all these acceleration techniques and, therefore, can draw upon one another's strong point to overcome deficiencies. The strength of our method has been corroborated by several carefully designed experiments. In particular, the filtering accuracy is significantly improved without sacrificing the efficiency at running time.

Three-dimensional virtual navigation versus conventional image guidance: A randomized controlled trial.

PubMed

Dixon, Benjamin J; Chan, Harley; Daly, Michael J; Qiu, Jimmy; Vescan, Allan; Witterick, Ian J; Irish, Jonathan C

2016-07-01

Providing image guidance in a 3-dimensional (3D) format, visually more in keeping with the operative field, could potentially reduce workload and lead to faster and more accurate navigation. We wished to assess a 3D virtual-view surgical navigation prototype in comparison to a traditional 2D system. Thirty-seven otolaryngology surgeons and trainees completed a randomized crossover navigation exercise on a cadaver model. Each subject identified three sinonasal landmarks with 3D virtual (3DV) image guidance and three landmarks with conventional cross-sectional computed tomography (CT) image guidance. Subjects were randomized with regard to which side and display type was tested initially. Accuracy, task completion time, and task workload were recorded. Display type did not influence accuracy (P > 0.2) or efficiency (P > 0.3) for any of the six landmarks investigated. Pooled landmark data revealed a trend of improved accuracy in the 3DV group by 0.44 millimeters (95% confidence interval [0.00-0.88]). High-volume surgeons were significantly faster (P < 0.01) and had reduced workload scores in all domains (P < 0.01), but they were no more accurate (P > 0.28). Real-time 3D image guidance did not influence accuracy, efficiency, or task workload when compared to conventional triplanar image guidance. The subtle pooled accuracy advantage for the 3DV view is unlikely to be of clinical significance. Experience level was strongly correlated to task completion time and workload but did not influence accuracy. N/A. Laryngoscope, 126:1510-1515, 2016. © 2016 The American Laryngological, Rhinological and Otological Society, Inc.

A Decision Mixture Model-Based Method for Inshore Ship Detection Using High-Resolution Remote Sensing Images

PubMed Central

Bi, Fukun; Chen, Jing; Zhuang, Yin; Bian, Mingming; Zhang, Qingjun

2017-01-01

With the rapid development of optical remote sensing satellites, ship detection and identification based on large-scale remote sensing images has become a significant maritime research topic. Compared with traditional ocean-going vessel detection, inshore ship detection has received increasing attention in harbor dynamic surveillance and maritime management. However, because the harbor environment is complex, gray information and texture features between docked ships and their connected dock regions are indistinguishable, most of the popular detection methods are limited by their calculation efficiency and detection accuracy. In this paper, a novel hierarchical method that combines an efficient candidate scanning strategy and an accurate candidate identification mixture model is presented for inshore ship detection in complex harbor areas. First, in the candidate region extraction phase, an omnidirectional intersected two-dimension scanning (OITDS) strategy is designed to rapidly extract candidate regions from the land-water segmented images. In the candidate region identification phase, a decision mixture model (DMM) is proposed to identify real ships from candidate objects. Specifically, to improve the robustness regarding the diversity of ships, a deformable part model (DPM) was employed to train a key part sub-model and a whole ship sub-model. Furthermore, to improve the identification accuracy, a surrounding correlation context sub-model is built. Finally, to increase the accuracy of candidate region identification, these three sub-models are integrated into the proposed DMM. Experiments were performed on numerous large-scale harbor remote sensing images, and the results showed that the proposed method has high detection accuracy and rapid computational efficiency. PMID:28640236

A Decision Mixture Model-Based Method for Inshore Ship Detection Using High-Resolution Remote Sensing Images.

PubMed

Bi, Fukun; Chen, Jing; Zhuang, Yin; Bian, Mingming; Zhang, Qingjun

2017-06-22

With the rapid development of optical remote sensing satellites, ship detection and identification based on large-scale remote sensing images has become a significant maritime research topic. Compared with traditional ocean-going vessel detection, inshore ship detection has received increasing attention in harbor dynamic surveillance and maritime management. However, because the harbor environment is complex, gray information and texture features between docked ships and their connected dock regions are indistinguishable, most of the popular detection methods are limited by their calculation efficiency and detection accuracy. In this paper, a novel hierarchical method that combines an efficient candidate scanning strategy and an accurate candidate identification mixture model is presented for inshore ship detection in complex harbor areas. First, in the candidate region extraction phase, an omnidirectional intersected two-dimension scanning (OITDS) strategy is designed to rapidly extract candidate regions from the land-water segmented images. In the candidate region identification phase, a decision mixture model (DMM) is proposed to identify real ships from candidate objects. Specifically, to improve the robustness regarding the diversity of ships, a deformable part model (DPM) was employed to train a key part sub-model and a whole ship sub-model. Furthermore, to improve the identification accuracy, a surrounding correlation context sub-model is built. Finally, to increase the accuracy of candidate region identification, these three sub-models are integrated into the proposed DMM. Experiments were performed on numerous large-scale harbor remote sensing images, and the results showed that the proposed method has high detection accuracy and rapid computational efficiency.

A Parallel Nonrigid Registration Algorithm Based on B-Spline for Medical Images.

PubMed

Du, Xiaogang; Dang, Jianwu; Wang, Yangping; Wang, Song; Lei, Tao

2016-01-01

The nonrigid registration algorithm based on B-spline Free-Form Deformation (FFD) plays a key role and is widely applied in medical image processing due to the good flexibility and robustness. However, it requires a tremendous amount of computing time to obtain more accurate registration results especially for a large amount of medical image data. To address the issue, a parallel nonrigid registration algorithm based on B-spline is proposed in this paper. First, the Logarithm Squared Difference (LSD) is considered as the similarity metric in the B-spline registration algorithm to improve registration precision. After that, we create a parallel computing strategy and lookup tables (LUTs) to reduce the complexity of the B-spline registration algorithm. As a result, the computing time of three time-consuming steps including B-splines interpolation, LSD computation, and the analytic gradient computation of LSD, is efficiently reduced, for the B-spline registration algorithm employs the Nonlinear Conjugate Gradient (NCG) optimization method. Experimental results of registration quality and execution efficiency on the large amount of medical images show that our algorithm achieves a better registration accuracy in terms of the differences between the best deformation fields and ground truth and a speedup of 17 times over the single-threaded CPU implementation due to the powerful parallel computing ability of Graphics Processing Unit (GPU).

Interleaved numerical renormalization group as an efficient multiband impurity solver

NASA Astrophysics Data System (ADS)

Stadler, K. M.; Mitchell, A. K.; von Delft, J.; Weichselbaum, A.

2016-06-01

Quantum impurity problems can be solved using the numerical renormalization group (NRG), which involves discretizing the free conduction electron system and mapping to a "Wilson chain." It was shown recently that Wilson chains for different electronic species can be interleaved by use of a modified discretization, dramatically increasing the numerical efficiency of the RG scheme [Phys. Rev. B 89, 121105(R) (2014), 10.1103/PhysRevB.89.121105]. Here we systematically examine the accuracy and efficiency of the "interleaved" NRG (iNRG) method in the context of the single impurity Anderson model, the two-channel Kondo model, and a three-channel Anderson-Hund model. The performance of iNRG is explicitly compared with "standard" NRG (sNRG): when the average number of states kept per iteration is the same in both calculations, the accuracy of iNRG is equivalent to that of sNRG but the computational costs are significantly lower in iNRG when the same symmetries are exploited. Although iNRG weakly breaks SU(N ) channel symmetry (if present), both accuracy and numerical cost are entirely competitive with sNRG exploiting full symmetries. iNRG is therefore shown to be a viable and technically simple alternative to sNRG for high-symmetry models. Moreover, iNRG can be used to solve a range of lower-symmetry multiband problems that are inaccessible to sNRG.

The Effect of Boundary Support and Reflector Dimensions on Inflatable Parabolic Antenna Performance

NASA Technical Reports Server (NTRS)

Coleman, Michael J.; Baginski, Frank; Romanofsky, Robert R.

2011-01-01

For parabolic antennas with sufficient surface accuracy, more power can be radiated with a larger aperture size. This paper explores the performance of antennas of various size and reflector depth. The particular focus is on a large inflatable elastic antenna reflector that is supported about its perimeter by a set of elastic tendons and is subjected to a constant hydrostatic pressure. The surface accuracy of the antenna is measured by an RMS calculation, while the reflector phase error component of the efficiency is determined by computing the power density at boresight. In the analysis, the calculation of antenna efficiency is not based on the Ruze Equation. Hence, no assumption regarding the distribution of the reflector surface distortions is presumed. The reflector surface is modeled as an isotropic elastic membrane using a linear stress-strain constitutive relation. Three types of antenna reflector construction are considered: one molded to an ideal parabolic form and two different flat panel design patterns. The flat panel surfaces are constructed by seaming together panels in a manner that the desired parabolic shape is approximately attained after pressurization. Numerical solutions of the model problem are calculated under a variety of conditions in order to estimate the accuracy and efficiency of these antenna systems. In the case of the flat panel constructions, several different cutting patterns are analyzed in order to determine an optimal cutting strategy.

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

PubMed Central

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

2010-01-01

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

Connecting Free Energy Surfaces in Implicit and Explicit Solvent: an Efficient Method to Compute Conformational and Solvation Free Energies

PubMed Central

Deng, Nanjie; Zhang, Bin W.; Levy, Ronald M.

2015-01-01

The ability to accurately model solvent effects on free energy surfaces is important for understanding many biophysical processes including protein folding and misfolding, allosteric transitions and protein-ligand binding. Although all-atom simulations in explicit solvent can provide an accurate model for biomolecules in solution, explicit solvent simulations are hampered by the slow equilibration on rugged landscapes containing multiple basins separated by barriers. In many cases, implicit solvent models can be used to significantly speed up the conformational sampling; however, implicit solvent simulations do not fully capture the effects of a molecular solvent, and this can lead to loss of accuracy in the estimated free energies. Here we introduce a new approach to compute free energy changes in which the molecular details of explicit solvent simulations are retained while also taking advantage of the speed of the implicit solvent simulations. In this approach, the slow equilibration in explicit solvent, due to the long waiting times before barrier crossing, is avoided by using a thermodynamic cycle which connects the free energy basins in implicit solvent and explicit solvent using a localized decoupling scheme. We test this method by computing conformational free energy differences and solvation free energies of the model system alanine dipeptide in water. The free energy changes between basins in explicit solvent calculated using fully explicit solvent paths agree with the corresponding free energy differences obtained using the implicit/explicit thermodynamic cycle to within 0.3 kcal/mol out of ~3 kcal/mol at only ~8 % of the computational cost. We note that WHAM methods can be used to further improve the efficiency and accuracy of the explicit/implicit thermodynamic cycle. PMID:26236174

Connecting free energy surfaces in implicit and explicit solvent: an efficient method to compute conformational and solvation free energies.

PubMed

Deng, Nanjie; Zhang, Bin W; Levy, Ronald M

2015-06-09

The ability to accurately model solvent effects on free energy surfaces is important for understanding many biophysical processes including protein folding and misfolding, allosteric transitions, and protein–ligand binding. Although all-atom simulations in explicit solvent can provide an accurate model for biomolecules in solution, explicit solvent simulations are hampered by the slow equilibration on rugged landscapes containing multiple basins separated by barriers. In many cases, implicit solvent models can be used to significantly speed up the conformational sampling; however, implicit solvent simulations do not fully capture the effects of a molecular solvent, and this can lead to loss of accuracy in the estimated free energies. Here we introduce a new approach to compute free energy changes in which the molecular details of explicit solvent simulations are retained while also taking advantage of the speed of the implicit solvent simulations. In this approach, the slow equilibration in explicit solvent, due to the long waiting times before barrier crossing, is avoided by using a thermodynamic cycle which connects the free energy basins in implicit solvent and explicit solvent using a localized decoupling scheme. We test this method by computing conformational free energy differences and solvation free energies of the model system alanine dipeptide in water. The free energy changes between basins in explicit solvent calculated using fully explicit solvent paths agree with the corresponding free energy differences obtained using the implicit/explicit thermodynamic cycle to within 0.3 kcal/mol out of ∼3 kcal/mol at only ∼8% of the computational cost. We note that WHAM methods can be used to further improve the efficiency and accuracy of the implicit/explicit thermodynamic cycle.

Multi-resolution simulation of focused ultrasound propagation through ovine skull from a single-element transducer

NASA Astrophysics Data System (ADS)

Yoon, Kyungho; Lee, Wonhye; Croce, Phillip; Cammalleri, Amanda; Yoo, Seung-Schik

2018-05-01

Transcranial focused ultrasound (tFUS) is emerging as a non-invasive brain stimulation modality. Complicated interactions between acoustic pressure waves and osseous tissue introduce many challenges in the accurate targeting of an acoustic focus through the cranium. Image-guidance accompanied by a numerical simulation is desired to predict the intracranial acoustic propagation through the skull; however, such simulations typically demand heavy computation, which warrants an expedited processing method to provide on-site feedback for the user in guiding the acoustic focus to a particular brain region. In this paper, we present a multi-resolution simulation method based on the finite-difference time-domain formulation to model the transcranial propagation of acoustic waves from a single-element transducer (250 kHz). The multi-resolution approach improved computational efficiency by providing the flexibility in adjusting the spatial resolution. The simulation was also accelerated by utilizing parallelized computation through the graphic processing unit. To evaluate the accuracy of the method, we measured the actual acoustic fields through ex vivo sheep skulls with different sonication incident angles. The measured acoustic fields were compared to the simulation results in terms of focal location, dimensions, and pressure levels. The computational efficiency of the presented method was also assessed by comparing simulation speeds at various combinations of resolution grid settings. The multi-resolution grids consisting of 0.5 and 1.0 mm resolutions gave acceptable accuracy (under 3 mm in terms of focal position and dimension, less than 5% difference in peak pressure ratio) with a speed compatible with semi real-time user feedback (within 30 s). The proposed multi-resolution approach may serve as a novel tool for simulation-based guidance for tFUS applications.

Multi-resolution simulation of focused ultrasound propagation through ovine skull from a single-element transducer.

PubMed

Yoon, Kyungho; Lee, Wonhye; Croce, Phillip; Cammalleri, Amanda; Yoo, Seung-Schik

2018-05-10

Transcranial focused ultrasound (tFUS) is emerging as a non-invasive brain stimulation modality. Complicated interactions between acoustic pressure waves and osseous tissue introduce many challenges in the accurate targeting of an acoustic focus through the cranium. Image-guidance accompanied by a numerical simulation is desired to predict the intracranial acoustic propagation through the skull; however, such simulations typically demand heavy computation, which warrants an expedited processing method to provide on-site feedback for the user in guiding the acoustic focus to a particular brain region. In this paper, we present a multi-resolution simulation method based on the finite-difference time-domain formulation to model the transcranial propagation of acoustic waves from a single-element transducer (250 kHz). The multi-resolution approach improved computational efficiency by providing the flexibility in adjusting the spatial resolution. The simulation was also accelerated by utilizing parallelized computation through the graphic processing unit. To evaluate the accuracy of the method, we measured the actual acoustic fields through ex vivo sheep skulls with different sonication incident angles. The measured acoustic fields were compared to the simulation results in terms of focal location, dimensions, and pressure levels. The computational efficiency of the presented method was also assessed by comparing simulation speeds at various combinations of resolution grid settings. The multi-resolution grids consisting of 0.5 and 1.0 mm resolutions gave acceptable accuracy (under 3 mm in terms of focal position and dimension, less than 5% difference in peak pressure ratio) with a speed compatible with semi real-time user feedback (within 30 s). The proposed multi-resolution approach may serve as a novel tool for simulation-based guidance for tFUS applications.

Computational Challenges in the Analysis of Petrophysics Using Microtomography and Upscaling

NASA Astrophysics Data System (ADS)

Liu, J.; Pereira, G.; Freij-Ayoub, R.; Regenauer-Lieb, K.

2014-12-01

Microtomography provides detailed 3D internal structures of rocks in micro- to tens of nano-meter resolution and is quickly turning into a new technology for studying petrophysical properties of materials. An important step is the upscaling of these properties as micron or sub-micron resolution can only be done on the sample-scale of millimeters or even less than a millimeter. We present here a recently developed computational workflow for the analysis of microstructures including the upscaling of material properties. Computations of properties are first performed using conventional material science simulations at micro to nano-scale. The subsequent upscaling of these properties is done by a novel renormalization procedure based on percolation theory. We have tested the workflow using different rock samples, biological and food science materials. We have also applied the technique on high-resolution time-lapse synchrotron CT scans. In this contribution we focus on the computational challenges that arise from the big data problem of analyzing petrophysical properties and its subsequent upscaling. We discuss the following challenges: 1) Characterization of microtomography for extremely large data sets - our current capability. 2) Computational fluid dynamics simulations at pore-scale for permeability estimation - methods, computing cost and accuracy. 3) Solid mechanical computations at pore-scale for estimating elasto-plastic properties - computational stability, cost, and efficiency. 4) Extracting critical exponents from derivative models for scaling laws - models, finite element meshing, and accuracy. Significant progress in each of these challenges is necessary to transform microtomography from the current research problem into a robust computational big data tool for multi-scale scientific and engineering problems.

Adaptive estimation of state of charge and capacity with online identified battery model for vanadium redox flow battery

NASA Astrophysics Data System (ADS)

Wei, Zhongbao; Tseng, King Jet; Wai, Nyunt; Lim, Tuti Mariana; Skyllas-Kazacos, Maria

2016-11-01

Reliable state estimate depends largely on an accurate battery model. However, the parameters of battery model are time varying with operating condition variation and battery aging. The existing co-estimation methods address the model uncertainty by integrating the online model identification with state estimate and have shown improved accuracy. However, the cross interference may arise from the integrated framework to compromise numerical stability and accuracy. Thus this paper proposes the decoupling of model identification and state estimate to eliminate the possibility of cross interference. The model parameters are online adapted with the recursive least squares (RLS) method, based on which a novel joint estimator based on extended Kalman Filter (EKF) is formulated to estimate the state of charge (SOC) and capacity concurrently. The proposed joint estimator effectively compresses the filter order which leads to substantial improvement in the computational efficiency and numerical stability. Lab scale experiment on vanadium redox flow battery shows that the proposed method is highly authentic with good robustness to varying operating conditions and battery aging. The proposed method is further compared with some existing methods and shown to be superior in terms of accuracy, convergence speed, and computational cost.

Targeting an efficient target-to-target interval for P300 speller brain–computer interfaces

PubMed Central

Sellers, Eric W.; Wang, Xingyu

2013-01-01

Longer target-to-target intervals (TTI) produce greater P300 event-related potential amplitude, which can increase brain–computer interface (BCI) classification accuracy and decrease the number of flashes needed for accurate character classification. However, longer TTIs requires more time for each trial, which will decrease the information transfer rate of BCI. In this paper, a P300 BCI using a 7 × 12 matrix explored new flash patterns (16-, 18- and 21-flash pattern) with different TTIs to assess the effects of TTI on P300 BCI performance. The new flash patterns were designed to minimize TTI, decrease repetition blindness, and examine the temporal relationship between each flash of a given stimulus by placing a minimum of one (16-flash pattern), two (18-flash pattern), or three (21-flash pattern) non-target flashes between each target flashes. Online results showed that the 16-flash pattern yielded the lowest classification accuracy among the three patterns. The results also showed that the 18-flash pattern provides a significantly higher information transfer rate (ITR) than the 21-flash pattern; both patterns provide high ITR and high accuracy for all subjects. PMID:22350331

Kalman/Map filtering-aided fast normalized cross correlation-based Wi-Fi fingerprinting location sensing.

PubMed

Sun, Yongliang; Xu, Yubin; Li, Cheng; Ma, Lin

2013-11-13

A Kalman/map filtering (KMF)-aided fast normalized cross correlation (FNCC)-based Wi-Fi fingerprinting location sensing system is proposed in this paper. Compared with conventional neighbor selection algorithms that calculate localization results with received signal strength (RSS) mean samples, the proposed FNCC algorithm makes use of all the on-line RSS samples and reference point RSS variations to achieve higher fingerprinting accuracy. The FNCC computes efficiently while maintaining the same accuracy as the basic normalized cross correlation. Additionally, a KMF is also proposed to process fingerprinting localization results. It employs a new map matching algorithm to nonlinearize the linear location prediction process of Kalman filtering (KF) that takes advantage of spatial proximities of consecutive localization results. With a calibration model integrated into an indoor map, the map matching algorithm corrects unreasonable prediction locations of the KF according to the building interior structure. Thus, more accurate prediction locations are obtained. Using these locations, the KMF considerably improves fingerprinting algorithm performance. Experimental results demonstrate that the FNCC algorithm with reduced computational complexity outperforms other neighbor selection algorithms and the KMF effectively improves location sensing accuracy by using indoor map information and spatial proximities of consecutive localization results.

Kalman/Map Filtering-Aided Fast Normalized Cross Correlation-Based Wi-Fi Fingerprinting Location Sensing

PubMed Central

Sun, Yongliang; Xu, Yubin; Li, Cheng; Ma, Lin

2013-01-01

A Kalman/map filtering (KMF)-aided fast normalized cross correlation (FNCC)-based Wi-Fi fingerprinting location sensing system is proposed in this paper. Compared with conventional neighbor selection algorithms that calculate localization results with received signal strength (RSS) mean samples, the proposed FNCC algorithm makes use of all the on-line RSS samples and reference point RSS variations to achieve higher fingerprinting accuracy. The FNCC computes efficiently while maintaining the same accuracy as the basic normalized cross correlation. Additionally, a KMF is also proposed to process fingerprinting localization results. It employs a new map matching algorithm to nonlinearize the linear location prediction process of Kalman filtering (KF) that takes advantage of spatial proximities of consecutive localization results. With a calibration model integrated into an indoor map, the map matching algorithm corrects unreasonable prediction locations of the KF according to the building interior structure. Thus, more accurate prediction locations are obtained. Using these locations, the KMF considerably improves fingerprinting algorithm performance. Experimental results demonstrate that the FNCC algorithm with reduced computational complexity outperforms other neighbor selection algorithms and the KMF effectively improves location sensing accuracy by using indoor map information and spatial proximities of consecutive localization results. PMID:24233027

An efficient fully-implicit multislope MUSCL method for multiphase flow with gravity in discrete fractured media

NASA Astrophysics Data System (ADS)

Jiang, Jiamin; Younis, Rami M.

2017-06-01

The first-order methods commonly employed in reservoir simulation for computing the convective fluxes introduce excessive numerical diffusion leading to severe smoothing of displacement fronts. We present a fully-implicit cell-centered finite-volume (CCFV) framework that can achieve second-order spatial accuracy on smooth solutions, while at the same time maintain robustness and nonlinear convergence performance. A novel multislope MUSCL method is proposed to construct the required values at edge centroids in a straightforward and effective way by taking advantage of the triangular mesh geometry. In contrast to the monoslope methods in which a unique limited gradient is used, the multislope concept constructs specific scalar slopes for the interpolations on each edge of a given element. Through the edge centroids, the numerical diffusion caused by mesh skewness is reduced, and optimal second order accuracy can be achieved. Moreover, an improved smooth flux-limiter is introduced to ensure monotonicity on non-uniform meshes. The flux-limiter provides high accuracy without degrading nonlinear convergence performance. The CCFV framework is adapted to accommodate a lower-dimensional discrete fracture-matrix (DFM) model. Several numerical tests with discrete fractured system are carried out to demonstrate the efficiency and robustness of the numerical model.

Brain-controlled applications using dynamic P300 speller matrices.

PubMed

Halder, Sebastian; Pinegger, Andreas; Käthner, Ivo; Wriessnegger, Selina C; Faller, Josef; Pires Antunes, João B; Müller-Putz, Gernot R; Kübler, Andrea

2015-01-01

Access to the world wide web and multimedia content is an important aspect of life. We present a web browser and a multimedia user interface adapted for control with a brain-computer interface (BCI) which can be used by severely motor impaired persons. The web browser dynamically determines the most efficient P300 BCI matrix size to select the links on the current website. This enables control of the web browser with fewer commands and smaller matrices. The multimedia player was based on an existing software. Both applications were evaluated with a sample of ten healthy participants and three end-users. All participants used a visual P300 BCI with face-stimuli for control. The healthy participants completed the multimedia player task with 90% accuracy and the web browsing task with 85% accuracy. The end-users completed the tasks with 62% and 58% accuracy. All healthy participants and two out of three end-users reported that they felt to be in control of the system. In this study we presented a multimedia application and an efficient web browser implemented for control with a BCI. Both applications provide access to important areas of modern information retrieval and entertainment. Copyright © 2014 Elsevier B.V. All rights reserved.

Toward On-Demand Deep Brain Stimulation Using Online Parkinson's Disease Prediction Driven by Dynamic Detection.

PubMed

Mohammed, Ameer; Zamani, Majid; Bayford, Richard; Demosthenous, Andreas

2017-12-01

In Parkinson's disease (PD), on-demand deep brain stimulation is required so that stimulation is regulated to reduce side effects resulting from continuous stimulation and PD exacerbation due to untimely stimulation. Also, the progressive nature of PD necessitates the use of dynamic detection schemes that can track the nonlinearities in PD. This paper proposes the use of dynamic feature extraction and dynamic pattern classification to achieve dynamic PD detection taking into account the demand for high accuracy, low computation, and real-time detection. The dynamic feature extraction and dynamic pattern classification are selected by evaluating a subset of feature extraction, dimensionality reduction, and classification algorithms that have been used in brain-machine interfaces. A novel dimensionality reduction technique, the maximum ratio method (MRM) is proposed, which provides the most efficient performance. In terms of accuracy and complexity for hardware implementation, a combination having discrete wavelet transform for feature extraction, MRM for dimensionality reduction, and dynamic k-nearest neighbor for classification was chosen as the most efficient. It achieves a classification accuracy of 99.29%, an F1-score of 97.90%, and a choice probability of 99.86%.

A stereo remote sensing feature selection method based on artificial bee colony algorithm

NASA Astrophysics Data System (ADS)

Yan, Yiming; Liu, Pigang; Zhang, Ye; Su, Nan; Tian, Shu; Gao, Fengjiao; Shen, Yi

2014-05-01

To improve the efficiency of stereo information for remote sensing classification, a stereo remote sensing feature selection method is proposed in this paper presents, which is based on artificial bee colony algorithm. Remote sensing stereo information could be described by digital surface model (DSM) and optical image, which contain information of the three-dimensional structure and optical characteristics, respectively. Firstly, three-dimensional structure characteristic could be analyzed by 3D-Zernike descriptors (3DZD). However, different parameters of 3DZD could descript different complexity of three-dimensional structure, and it needs to be better optimized selected for various objects on the ground. Secondly, features for representing optical characteristic also need to be optimized. If not properly handled, when a stereo feature vector composed of 3DZD and image features, that would be a lot of redundant information, and the redundant information may not improve the classification accuracy, even cause adverse effects. To reduce information redundancy while maintaining or improving the classification accuracy, an optimized frame for this stereo feature selection problem is created, and artificial bee colony algorithm is introduced for solving this optimization problem. Experimental results show that the proposed method can effectively improve the computational efficiency, improve the classification accuracy.