GPU-accelerated Lattice Boltzmann method for anatomical extraction in patient-specific computational hemodynamics

NASA Astrophysics Data System (ADS)

Yu, H.; Wang, Z.; Zhang, C.; Chen, N.; Zhao, Y.; Sawchuk, A. P.; Dalsing, M. C.; Teague, S. D.; Cheng, Y.

2014-11-01

Existing research of patient-specific computational hemodynamics (PSCH) heavily relies on software for anatomical extraction of blood arteries. Data reconstruction and mesh generation have to be done using existing commercial software due to the gap between medical image processing and CFD, which increases computation burden and introduces inaccuracy during data transformation thus limits the medical applications of PSCH. We use lattice Boltzmann method (LBM) to solve the level-set equation over an Eulerian distance field and implicitly and dynamically segment the artery surfaces from radiological CT/MRI imaging data. The segments seamlessly feed to the LBM based CFD computation of PSCH thus explicit mesh construction and extra data management are avoided. The LBM is ideally suited for GPU (graphic processing unit)-based parallel computing. The parallel acceleration over GPU achieves excellent performance in PSCH computation. An application study will be presented which segments an aortic artery from a chest CT dataset and models PSCH of the segmented artery.

Efficient calibration for imperfect computer models

DOE PAGES

Tuo, Rui; Wu, C. F. Jeff

2015-12-01

Many computer models contain unknown parameters which need to be estimated using physical observations. Furthermore, the calibration method based on Gaussian process models may lead to unreasonable estimate for imperfect computer models. In this work, we extend their study to calibration problems with stochastic physical data. We propose a novel method, called the L 2 calibration, and show its semiparametric efficiency. The conventional method of the ordinary least squares is also studied. Theoretical analysis shows that it is consistent but not efficient. Here, numerical examples show that the proposed method outperforms the existing ones.

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

NASA Astrophysics Data System (ADS)

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

2018-04-01

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

Development of a Computer-Based Visualised Quantitative Learning System for Playing Violin Vibrato

ERIC Educational Resources Information Center

Ho, Tracy Kwei-Liang; Lin, Huann-shyang; Chen, Ching-Kong; Tsai, Jih-Long

2015-01-01

Traditional methods of teaching music are largely subjective, with the lack of objectivity being particularly challenging for violin students learning vibrato because of the existence of conflicting theories. By using a computer-based analysis method, this study found that maintaining temporal coincidence between the intensity peak and the target…

Accuracy of Time Integration Approaches for Stiff Magnetohydrodynamics Problems

NASA Astrophysics Data System (ADS)

Knoll, D. A.; Chacon, L.

2003-10-01

The simulation of complex physical processes with multiple time scales presents a continuing challenge to the computational plasma physisist due to the co-existence of fast and slow time scales. Within computational plasma physics, practitioners have developed and used linearized methods, semi-implicit methods, and time splitting in an attempt to tackle such problems. All of these methods are understood to generate numerical error. We are currently developing algorithms which remove such error for MHD problems [1,2]. These methods do not rely on linearization or time splitting. We are also attempting to analyze the errors introduced by existing ``implicit'' methods using modified equation analysis (MEA) [3]. In this presentation we will briefly cover the major findings in [3]. We will then extend this work further into MHD. This analysis will be augmented with numerical experiments with the hope of gaining insight, particularly into how these errors accumulate over many time steps. [1] L. Chacon,. D.A. Knoll, J.M. Finn, J. Comput. Phys., vol. 178, pp. 15-36 (2002) [2] L. Chacon and D.A. Knoll, J. Comput. Phys., vol. 188, pp. 573-592 (2003) [3] D.A. Knoll , L. Chacon, L.G. Margolin, V.A. Mousseau, J. Comput. Phys., vol. 185, pp. 583-611 (2003)

A Practical, Robust Methodology for Acquiring New Observation Data Using Computationally Expensive Groundwater Models

NASA Astrophysics Data System (ADS)

Siade, Adam J.; Hall, Joel; Karelse, Robert N.

2017-11-01

Regional groundwater flow models play an important role in decision making regarding water resources; however, the uncertainty embedded in model parameters and model assumptions can significantly hinder the reliability of model predictions. One way to reduce this uncertainty is to collect new observation data from the field. However, determining where and when to obtain such data is not straightforward. There exist a number of data-worth and experimental design strategies developed for this purpose. However, these studies often ignore issues related to real-world groundwater models such as computational expense, existing observation data, high-parameter dimension, etc. In this study, we propose a methodology, based on existing methods and software, to efficiently conduct such analyses for large-scale, complex regional groundwater flow systems for which there is a wealth of available observation data. The method utilizes the well-established d-optimality criterion, and the minimax criterion for robust sampling strategies. The so-called Null-Space Monte Carlo method is used to reduce the computational burden associated with uncertainty quantification. And, a heuristic methodology, based on the concept of the greedy algorithm, is proposed for developing robust designs with subsets of the posterior parameter samples. The proposed methodology is tested on a synthetic regional groundwater model, and subsequently applied to an existing, complex, regional groundwater system in the Perth region of Western Australia. The results indicate that robust designs can be obtained efficiently, within reasonable computational resources, for making regional decisions regarding groundwater level sampling.

Computer Aided Design in Engineering Education.

ERIC Educational Resources Information Center

Gobin, R.

1986-01-01

Discusses the use of Computer Aided Design (CAD) and Computer Aided Manufacturing (CAM) systems in an undergraduate engineering education program. Provides a rationale for CAD/CAM use in the already existing engineering program. Describes the methods used in choosing the systems, some initial results, and warnings for first-time users. (TW)

Brain Network Regional Synchrony Analysis in Deafness

PubMed Central

Xu, Lei; Liang, Mao-Jin

2018-01-01

Deafness, the most common auditory disease, has greatly affected people for a long time. The major treatment for deafness is cochlear implantation (CI). However, till today, there is still a lack of objective and precise indicator serving as evaluation of the effectiveness of the cochlear implantation. The goal of this EEG-based study is to effectively distinguish CI children from those prelingual deafened children without cochlear implantation. The proposed method is based on the functional connectivity analysis, which focuses on the brain network regional synchrony. Specifically, we compute the functional connectivity between each channel pair first. Then, we quantify the brain network synchrony among regions of interests (ROIs), where both intraregional synchrony and interregional synchrony are computed. And finally the synchrony values are concatenated to form the feature vector for the SVM classifier. What is more, we develop a new ROI partition method of 128-channel EEG recording system. That is, both the existing ROI partition method and the proposed ROI partition method are used in the experiments. Compared with the existing EEG signal classification methods, our proposed method has achieved significant improvements as large as 87.20% and 86.30% when the existing ROI partition method and the proposed ROI partition method are used, respectively. It further demonstrates that the new ROI partition method is comparable to the existing ROI partition method. PMID:29854776

Framework for computationally-predicted AOPs

EPA Science Inventory

Framework for computationally-predicted AOPs Given that there are a vast number of existing and new chemicals in the commercial pipeline, emphasis is placed on developing high throughput screening (HTS) methods for hazard prediction. Adverse Outcome Pathways (AOPs) represent a...

Aerodynamic optimization studies on advanced architecture computers

NASA Technical Reports Server (NTRS)

Chawla, Kalpana

1995-01-01

The approach to carrying out multi-discipline aerospace design studies in the future, especially in massively parallel computing environments, comprises of choosing (1) suitable solvers to compute solutions to equations characterizing a discipline, and (2) efficient optimization methods. In addition, for aerodynamic optimization problems, (3) smart methodologies must be selected to modify the surface shape. In this research effort, a 'direct' optimization method is implemented on the Cray C-90 to improve aerodynamic design. It is coupled with an existing implicit Navier-Stokes solver, OVERFLOW, to compute flow solutions. The optimization method is chosen such that it can accomodate multi-discipline optimization in future computations. In the work , however, only single discipline aerodynamic optimization will be included.

Achievement Motivations of the Students Studying at Computer and Instructional Technologies Teaching Department

ERIC Educational Resources Information Center

Semerci, Cetin; Duman, Burcu

2013-01-01

The aim of this research is to determine achievement motivations of the students studying at Computer and Instructional Technologies Teaching (CITT) Department. In this research, survey method is used. In the frame of this method, the existing situation about the achievement motivations of CITT students in Yuzuncu Yil and Firat Universities in…

A direct method to solve optimal knots of B-spline curves: An application for non-uniform B-spline curves fitting.

PubMed

Dung, Van Than; Tjahjowidodo, Tegoeh

2017-01-01

B-spline functions are widely used in many industrial applications such as computer graphic representations, computer aided design, computer aided manufacturing, computer numerical control, etc. Recently, there exist some demands, e.g. in reverse engineering (RE) area, to employ B-spline curves for non-trivial cases that include curves with discontinuous points, cusps or turning points from the sampled data. The most challenging task in these cases is in the identification of the number of knots and their respective locations in non-uniform space in the most efficient computational cost. This paper presents a new strategy for fitting any forms of curve by B-spline functions via local algorithm. A new two-step method for fast knot calculation is proposed. In the first step, the data is split using a bisecting method with predetermined allowable error to obtain coarse knots. Secondly, the knots are optimized, for both locations and continuity levels, by employing a non-linear least squares technique. The B-spline function is, therefore, obtained by solving the ordinary least squares problem. The performance of the proposed method is validated by using various numerical experimental data, with and without simulated noise, which were generated by a B-spline function and deterministic parametric functions. This paper also discusses the benchmarking of the proposed method to the existing methods in literature. The proposed method is shown to be able to reconstruct B-spline functions from sampled data within acceptable tolerance. It is also shown that, the proposed method can be applied for fitting any types of curves ranging from smooth ones to discontinuous ones. In addition, the method does not require excessive computational cost, which allows it to be used in automatic reverse engineering applications.

An Eye Model for Computational Dosimetry Using A Multi-Scale Voxel Phantom

NASA Astrophysics Data System (ADS)

Caracappa, Peter F.; Rhodes, Ashley; Fiedler, Derek

2014-06-01

The lens of the eye is a radiosensitive tissue with cataract formation being the major concern. Recently reduced recommended dose limits to the lens of the eye have made understanding the dose to this tissue of increased importance. Due to memory limitations, the voxel resolution of computational phantoms used for radiation dose calculations is too large to accurately represent the dimensions of the eye. A revised eye model is constructed using physiological data for the dimensions of radiosensitive tissues, and is then transformed into a high-resolution voxel model. This eye model is combined with an existing set of whole body models to form a multi-scale voxel phantom, which is used with the MCNPX code to calculate radiation dose from various exposure types. This phantom provides an accurate representation of the radiation transport through the structures of the eye. Two alternate methods of including a high-resolution eye model within an existing whole body model are developed. The accuracy and performance of each method is compared against existing computational phantoms.

Analysis of Test Case Computations and Experiments for the First Aeroelastic Prediction Workshop

NASA Technical Reports Server (NTRS)

Schuster, David M.; Heeg, Jennifer; Wieseman, Carol D.; Chwalowski, Pawel

2013-01-01

This paper compares computational and experimental data from the Aeroelastic Prediction Workshop (AePW) held in April 2012. This workshop was designed as a series of technical interchange meetings to assess the state of the art of computational methods for predicting unsteady flowfields and static and dynamic aeroelastic response. The goals are to provide an impartial forum to evaluate the effectiveness of existing computer codes and modeling techniques to simulate aeroelastic problems and to identify computational and experimental areas needing additional research and development. Three subject configurations were chosen from existing wind-tunnel data sets where there is pertinent experimental data available for comparison. Participant researchers analyzed one or more of the subject configurations, and results from all of these computations were compared at the workshop.

Fault management for data systems

NASA Technical Reports Server (NTRS)

Boyd, Mark A.; Iverson, David L.; Patterson-Hine, F. Ann

1993-01-01

Issues related to automating the process of fault management (fault diagnosis and response) for data management systems are considered. Substantial benefits are to be gained by successful automation of this process, particularly for large, complex systems. The use of graph-based models to develop a computer assisted fault management system is advocated. The general problem is described and the motivation behind choosing graph-based models over other approaches for developing fault diagnosis computer programs is outlined. Some existing work in the area of graph-based fault diagnosis is reviewed, and a new fault management method which was developed from existing methods is offered. Our method is applied to an automatic telescope system intended as a prototype for future lunar telescope programs. Finally, an application of our method to general data management systems is described.

Extrinsic Calibration of Camera Networks Based on Pedestrians

PubMed Central

Guan, Junzhi; Deboeverie, Francis; Slembrouck, Maarten; Van Haerenborgh, Dirk; Van Cauwelaert, Dimitri; Veelaert, Peter; Philips, Wilfried

2016-01-01

In this paper, we propose a novel extrinsic calibration method for camera networks by analyzing tracks of pedestrians. First of all, we extract the center lines of walking persons by detecting their heads and feet in the camera images. We propose an easy and accurate method to estimate the 3D positions of the head and feet w.r.t. a local camera coordinate system from these center lines. We also propose a RANSAC-based orthogonal Procrustes approach to compute relative extrinsic parameters connecting the coordinate systems of cameras in a pairwise fashion. Finally, we refine the extrinsic calibration matrices using a method that minimizes the reprojection error. While existing state-of-the-art calibration methods explore epipolar geometry and use image positions directly, the proposed method first computes 3D positions per camera and then fuses the data. This results in simpler computations and a more flexible and accurate calibration method. Another advantage of our method is that it can also handle the case of persons walking along straight lines, which cannot be handled by most of the existing state-of-the-art calibration methods since all head and feet positions are co-planar. This situation often happens in real life. PMID:27171080

Verifying the Simulation Hypothesis via Infinite Nested Universe Simulacrum Loops

NASA Astrophysics Data System (ADS)

Sharma, Vikrant

2017-01-01

The simulation hypothesis proposes that local reality exists as a simulacrum within a hypothetical computer's dimension. More specifically, Bostrom's trilemma proposes that the number of simulations an advanced 'posthuman' civilization could produce makes the proposition very likely. In this paper a hypothetical method to verify the simulation hypothesis is discussed using infinite regression applied to a new type of infinite loop. Assign dimension n to any computer in our present reality, where dimension signifies the hierarchical level in nested simulations our reality exists in. A computer simulating known reality would be dimension (n-1), and likewise a computer simulating an artificial reality, such as a video game, would be dimension (n +1). In this method, among others, four key assumptions are made about the nature of the original computer dimension n. Summations show that regressing such a reality infinitely will create convergence, implying that the verification of whether local reality is a grand simulation is feasible to detect with adequate compute capability. The action of reaching said convergence point halts the simulation of local reality. Sensitivities to the four assumptions and implications are discussed.

Plans for Aeroelastic Prediction Workshop

NASA Technical Reports Server (NTRS)

Heeg, Jennifer; Ballmann, Josef; Bhatia, Kumar; Blades, Eric; Boucke, Alexander; Chwalowski, Pawel; Dietz, Guido; Dowell, Earl; Florance, Jennifer P.; Hansen, Thorsten;

The Development of a Robot-Based Learning Companion: A User-Centered Design Approach

ERIC Educational Resources Information Center

Hsieh, Yi-Zeng; Su, Mu-Chun; Chen, Sherry Y.; Chen, Gow-Dong

2015-01-01

A computer-vision-based method is widely employed to support the development of a variety of applications. In this vein, this study uses a computer-vision-based method to develop a playful learning system, which is a robot-based learning companion named RobotTell. Unlike existing playful learning systems, a user-centered design (UCD) approach is…

Investigation of the cluster formation in lithium niobate crystals by computer modeling method

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

Voskresenskii, V. M.; Starodub, O. R., E-mail: ol-star@mail.ru; Sidorov, N. V.

The processes occurring upon the formation of energetically equilibrium oxygen-octahedral clusters in the ferroelectric phase of a stoichiometric lithium niobate (LiNbO{sub 3}) crystal have been investigated by the computer modeling method within the semiclassical atomistic model. An energetically favorable cluster size (at which a structure similar to that of a congruent crystal is organized) is shown to exist. A stoichiometric cluster cannot exist because of the electroneutrality loss. The most energetically favorable cluster is that with a Li/Nb ratio of about 0.945, a value close to the lithium-to-niobium ratio for a congruent crystal.

Term Cancellations in Computing Floating-Point Gröbner Bases

NASA Astrophysics Data System (ADS)

Sasaki, Tateaki; Kako, Fujio

We discuss the term cancellation which makes the floating-point Gröbner basis computation unstable, and show that error accumulation is never negligible in our previous method. Then, we present a new method, which removes accumulated errors as far as possible by reducing matrices constructed from coefficient vectors by the Gaussian elimination. The method manifests amounts of term cancellations caused by the existence of approximate linearly dependent relations among input polynomials.

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

NASA Technical Reports Server (NTRS)

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

1991-01-01

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

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

Tuo, Rui; Wu, C. F. Jeff

Many computer models contain unknown parameters which need to be estimated using physical observations. Furthermore, the calibration method based on Gaussian process models may lead to unreasonable estimate for imperfect computer models. In this work, we extend their study to calibration problems with stochastic physical data. We propose a novel method, called the L 2 calibration, and show its semiparametric efficiency. The conventional method of the ordinary least squares is also studied. Theoretical analysis shows that it is consistent but not efficient. Here, numerical examples show that the proposed method outperforms the existing ones.

Multi-tasking computer control of video related equipment

NASA Technical Reports Server (NTRS)

Molina, Rod; Gilbert, Bob

1989-01-01

The flexibility, cost-effectiveness and widespread availability of personal computers now makes it possible to completely integrate the previously separate elements of video post-production into a single device. Specifically, a personal computer, such as the Commodore-Amiga, can perform multiple and simultaneous tasks from an individual unit. Relatively low cost, minimal space requirements and user-friendliness, provides the most favorable environment for the many phases of video post-production. Computers are well known for their basic abilities to process numbers, text and graphics and to reliably perform repetitive and tedious functions efficiently. These capabilities can now apply as either additions or alternatives to existing video post-production methods. A present example of computer-based video post-production technology is the RGB CVC (Computer and Video Creations) WorkSystem. A wide variety of integrated functions are made possible with an Amiga computer existing at the heart of the system.

Using Mosix for Wide-Area Compuational Resources

USGS Publications Warehouse

Maddox, Brian G.

2004-01-01

One of the problems with using traditional Beowulf-type distributed processing clusters is that they require an investment in dedicated computer resources. These resources are usually needed in addition to pre-existing ones such as desktop computers and file servers. Mosix is a series of modifications to the Linux kernel that creates a virtual computer, featuring automatic load balancing by migrating processes from heavily loaded nodes to less used ones. An extension of the Beowulf concept is to run a Mosixenabled Linux kernel on a large number of computer resources in an organization. This configuration would provide a very large amount of computational resources based on pre-existing equipment. The advantage of this method is that it provides much more processing power than a traditional Beowulf cluster without the added costs of dedicating resources.

Design for a Crane Metallic Structure Based on Imperialist Competitive Algorithm and Inverse Reliability Strategy

NASA Astrophysics Data System (ADS)

Fan, Xiao-Ning; Zhi, Bo

2017-07-01

Uncertainties in parameters such as materials, loading, and geometry are inevitable in designing metallic structures for cranes. When considering these uncertainty factors, reliability-based design optimization (RBDO) offers a more reasonable design approach. However, existing RBDO methods for crane metallic structures are prone to low convergence speed and high computational cost. A unilevel RBDO method, combining a discrete imperialist competitive algorithm with an inverse reliability strategy based on the performance measure approach, is developed. Application of the imperialist competitive algorithm at the optimization level significantly improves the convergence speed of this RBDO method. At the reliability analysis level, the inverse reliability strategy is used to determine the feasibility of each probabilistic constraint at each design point by calculating its α-percentile performance, thereby avoiding convergence failure, calculation error, and disproportionate computational effort encountered using conventional moment and simulation methods. Application of the RBDO method to an actual crane structure shows that the developed RBDO realizes a design with the best tradeoff between economy and safety together with about one-third of the convergence speed and the computational cost of the existing method. This paper provides a scientific and effective design approach for the design of metallic structures of cranes.

Applications of automatic differentiation in computational fluid dynamics

NASA Technical Reports Server (NTRS)

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

1994-01-01

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

Computing the Evans function via solving a linear boundary value ODE

NASA Astrophysics Data System (ADS)

Wahl, Colin; Nguyen, Rose; Ventura, Nathaniel; Barker, Blake; Sandstede, Bjorn

2015-11-01

Determining the stability of traveling wave solutions to partial differential equations can oftentimes be computationally intensive but of great importance to understanding the effects of perturbations on the physical systems (chemical reactions, hydrodynamics, etc.) they model. For waves in one spatial dimension, one may linearize around the wave and form an Evans function - an analytic Wronskian-like function which has zeros that correspond in multiplicity to the eigenvalues of the linearized system. If eigenvalues with a positive real part do not exist, the traveling wave will be stable. Two methods exist for calculating the Evans function numerically: the exterior-product method and the method of continuous orthogonalization. The first is numerically expensive, and the second reformulates the originally linear system as a nonlinear system. We develop a new algorithm for computing the Evans function through appropriate linear boundary-value problems. This algorithm is cheaper than the previous methods, and we prove that it preserves analyticity of the Evans function. We also provide error estimates and implement it on some classical one- and two-dimensional systems, one being the Swift-Hohenberg equation in a channel, to show the advantages.

Multi-resolution voxel phantom modeling: a high-resolution eye model for computational dosimetry

NASA Astrophysics Data System (ADS)

Caracappa, Peter F.; Rhodes, Ashley; Fiedler, Derek

2014-09-01

Voxel models of the human body are commonly used for simulating radiation dose with a Monte Carlo radiation transport code. Due to memory limitations, the voxel resolution of these computational phantoms is typically too large to accurately represent the dimensions of small features such as the eye. Recently reduced recommended dose limits to the lens of the eye, which is a radiosensitive tissue with a significant concern for cataract formation, has lent increased importance to understanding the dose to this tissue. A high-resolution eye model is constructed using physiological data for the dimensions of radiosensitive tissues, and combined with an existing set of whole-body models to form a multi-resolution voxel phantom, which is used with the MCNPX code to calculate radiation dose from various exposure types. This phantom provides an accurate representation of the radiation transport through the structures of the eye. Two alternate methods of including a high-resolution eye model within an existing whole-body model are developed. The accuracy and performance of each method is compared against existing computational phantoms.

New algorithms to compute the nearness symmetric solution of the matrix equation.

PubMed

Peng, Zhen-Yun; Fang, Yang-Zhi; Xiao, Xian-Wei; Du, Dan-Dan

2016-01-01

In this paper we consider the nearness symmetric solution of the matrix equation AXB = C to a given matrix [Formula: see text] in the sense of the Frobenius norm. By discussing equivalent form of the considered problem, we derive some necessary and sufficient conditions for the matrix [Formula: see text] is a solution of the considered problem. Based on the idea of the alternating variable minimization with multiplier method, we propose two iterative methods to compute the solution of the considered problem, and analyze the global convergence results of the proposed algorithms. Numerical results illustrate the proposed methods are more effective than the existing two methods proposed in Peng et al. (Appl Math Comput 160:763-777, 2005) and Peng (Int J Comput Math 87: 1820-1830, 2010).

Survey of Computer-Based Message Systems; COM/PortaCOM Conference System: Design Goals and Principles; Computer Conferencing Is More Than Electronic Mail; Effects of the COM Computer Conference System.

ERIC Educational Resources Information Center

Palme, Jacob

The four papers contained in this document provide: (1) a survey of computer based mail and conference systems; (2) an evaluation of systems for both individually addressed mail and group addressing through conferences and distribution lists; (3) a discussion of various methods of structuring the text data in existing systems; and (4) a…

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

Soerensen, M.P.; Davidson, A.; Pedersen, N.F.

We use the method of cell-to-cell mapping to locate attractors, basins, and saddle nodes in the phase plane of a driven Josephson junction. The cell-mapping method is discussed in some detail, emphasizing its ability to provide a global view of the phase plane. Our computations confirm the existence of a previously reported interior crisis. In addition, we observe a boundary crisis for a small shift in one parameter. The cell-mapping method allows us to show both crises explicitly in the phase plane, at low computational cost.

Computer tomography of flows external to test models

NASA Technical Reports Server (NTRS)

Prikryl, I.; Vest, C. M.

1982-01-01

Computer tomographic techniques for reconstruction of three-dimensional aerodynamic density fields, from interferograms recorded from several different viewing directions were studied. Emphasis is on the case in which an opaque object such as a test model in a wind tunnel obscures significant regions of the interferograms (projection data). A method called the Iterative Convolution Method (ICM), existing methods in which the field is represented by a series expansions, and analysis of real experimental data in the form of aerodynamic interferograms are discussed.

Diabat Interpolation for Polymorph Free-Energy Differences.

PubMed

Kamat, Kartik; Peters, Baron

2017-02-02

Existing methods to compute free-energy differences between polymorphs use harmonic approximations, advanced non-Boltzmann bias sampling techniques, and/or multistage free-energy perturbations. This work demonstrates how Bennett's diabat interpolation method ( J. Comput. Phys. 1976, 22, 245 ) can be combined with energy gaps from lattice-switch Monte Carlo techniques ( Phys. Rev. E 2000, 61, 906 ) to swiftly estimate polymorph free-energy differences. The new method requires only two unbiased molecular dynamics simulations, one for each polymorph. To illustrate the new method, we compute the free-energy difference between face-centered cubic and body-centered cubic polymorphs for a Gaussian core solid. We discuss the justification for parabolic models of the free-energy diabats and similarities to methods that have been used in studies of electron transfer.

Reliable Acquisition of RAM Dumps from Intel-Based Apple Mac Computers over FireWire

NASA Astrophysics Data System (ADS)

Gladyshev, Pavel; Almansoori, Afrah

RAM content acquisition is an important step in live forensic analysis of computer systems. FireWire offers an attractive way to acquire RAM content of Apple Mac computers equipped with a FireWire connection. However, the existing techniques for doing so require substantial knowledge of the target computer configuration and cannot be used reliably on a previously unknown computer in a crime scene. This paper proposes a novel method for acquiring RAM content of Apple Mac computers over FireWire, which automatically discovers necessary information about the target computer and can be used in the crime scene setting. As an application of the developed method, the techniques for recovery of AOL Instant Messenger (AIM) conversation fragments from RAM dumps are also discussed in this paper.

Interpolation Method Needed for Numerical Uncertainty Analysis of Computational Fluid Dynamics

NASA Technical Reports Server (NTRS)

Groves, Curtis; Ilie, Marcel; Schallhorn, Paul

2014-01-01

Using Computational Fluid Dynamics (CFD) to predict a flow field is an approximation to the exact problem and uncertainties exist. There is a method to approximate the errors in CFD via Richardson's Extrapolation. This method is based off of progressive grid refinement. To estimate the errors in an unstructured grid, the analyst must interpolate between at least three grids. This paper describes a study to find an appropriate interpolation scheme that can be used in Richardson's extrapolation or other uncertainty method to approximate errors. Nomenclature

Analytical Fuselage and Wing Weight Estimation of Transport Aircraft

NASA Technical Reports Server (NTRS)

Chambers, Mark C.; Ardema, Mark D.; Patron, Anthony P.; Hahn, Andrew S.; Miura, Hirokazu; Moore, Mark D.

1996-01-01

A method of estimating the load-bearing fuselage weight and wing weight of transport aircraft based on fundamental structural principles has been developed. This method of weight estimation represents a compromise between the rapid assessment of component weight using empirical methods based on actual weights of existing aircraft, and detailed, but time-consuming, analysis using the finite element method. The method was applied to eight existing subsonic transports for validation and correlation. Integration of the resulting computer program, PDCYL, has been made into the weights-calculating module of the AirCraft SYNThesis (ACSYNT) computer program. ACSYNT has traditionally used only empirical weight estimation methods; PDCYL adds to ACSYNT a rapid, accurate means of assessing the fuselage and wing weights of unconventional aircraft. PDCYL also allows flexibility in the choice of structural concept, as well as a direct means of determining the impact of advanced materials on structural weight. Using statistical analysis techniques, relations between the load-bearing fuselage and wing weights calculated by PDCYL and corresponding actual weights were determined.

Kinematic Determination of an Unmodeled Serial Manipulator by Means of an IMU

NASA Astrophysics Data System (ADS)

Ciarleglio, Constance A.

Kinematic determination for an unmodeled manipulator is usually done through a-priori knowledge of the manipulator physical characteristics or external sensor information. The mathematics of the kinematic estimation, often based on Denavit- Hartenberg convention, are complex and have high computation requirements, in addition to being unique to the manipulator for which the method is developed. Analytical methods that can compute kinematics on-the fly have the potential to be highly beneficial in dynamic environments where different configurations and variable manipulator types are often required. This thesis derives a new screw theory based method of kinematic determination, using a single inertial measurement unit (IMU), for use with any serial, revolute manipulator. The method allows the expansion of reconfigurable manipulator design and simplifies the kinematic process for existing manipulators. A simulation is presented where the theory of the method is verified and characterized with error. The method is then implemented on an existing manipulator as a verification of functionality.

Leveraging transcript quantification for fast computation of alternative splicing profiles.

PubMed

Alamancos, Gael P; Pagès, Amadís; Trincado, Juan L; Bellora, Nicolás; Eyras, Eduardo

2015-09-01

Alternative splicing plays an essential role in many cellular processes and bears major relevance in the understanding of multiple diseases, including cancer. High-throughput RNA sequencing allows genome-wide analyses of splicing across multiple conditions. However, the increasing number of available data sets represents a major challenge in terms of computation time and storage requirements. We describe SUPPA, a computational tool to calculate relative inclusion values of alternative splicing events, exploiting fast transcript quantification. SUPPA accuracy is comparable and sometimes superior to standard methods using simulated as well as real RNA-sequencing data compared with experimentally validated events. We assess the variability in terms of the choice of annotation and provide evidence that using complete transcripts rather than more transcripts per gene provides better estimates. Moreover, SUPPA coupled with de novo transcript reconstruction methods does not achieve accuracies as high as using quantification of known transcripts, but remains comparable to existing methods. Finally, we show that SUPPA is more than 1000 times faster than standard methods. Coupled with fast transcript quantification, SUPPA provides inclusion values at a much higher speed than existing methods without compromising accuracy, thereby facilitating the systematic splicing analysis of large data sets with limited computational resources. The software is implemented in Python 2.7 and is available under the MIT license at https://bitbucket.org/regulatorygenomicsupf/suppa. © 2015 Alamancos et al.; Published by Cold Spring Harbor Laboratory Press for the RNA Society.

Conversion of IVA Human Computer Model to EVA Use and Evaluation and Comparison of the Result to Existing EVA Models

NASA Technical Reports Server (NTRS)

Hamilton, George S.; Williams, Jermaine C.

1998-01-01

This paper describes the methods, rationale, and comparative results of the conversion of an intravehicular (IVA) 3D human computer model (HCM) to extravehicular (EVA) use and compares the converted model to an existing model on another computer platform. The task of accurately modeling a spacesuited human figure in software is daunting: the suit restricts the human's joint range of motion (ROM) and does not have joints collocated with human joints. The modeling of the variety of materials needed to construct a space suit (e. g. metal bearings, rigid fiberglass torso, flexible cloth limbs and rubber coated gloves) attached to a human figure is currently out of reach of desktop computer hardware and software. Therefore a simplified approach was taken. The HCM's body parts were enlarged and the joint ROM was restricted to match the existing spacesuit model. This basic approach could be used to model other restrictive environments in industry such as chemical or fire protective clothing. In summary, the approach provides a moderate fidelity, usable tool which will run on current notebook computers.

Decision support systems for ecosystem management: An evaluation of existing systems

Treesearch

H. Todd Mowrer; Klaus Barber; Joe Campbell; Nick Crookston; Cathy Dahms; John Day; Jim Laacke; Jim Merzenich; Steve Mighton; Mike Rauscher; Rick Sojda; Joyce Thompson; Peter Trenchi; Mark Twery

1997-01-01

This report evaluated 24 computer-aided decision support systems (DSS) that can support management decision-making in forest ecosystems. It compares the scope of each system, spatial capabilities, computational methods, development status, input and output requirements, user support availability, and system performance. Questionnaire responses from the DSS developers (...

Algorithms and software used in selecting structure of machine-training cluster based on neurocomputers

NASA Astrophysics Data System (ADS)

Romanchuk, V. A.; Lukashenko, V. V.

2018-05-01

The technique of functioning of a control system by a computing cluster based on neurocomputers is proposed. Particular attention is paid to the method of choosing the structure of the computing cluster due to the fact that the existing methods are not effective because of a specialized hardware base - neurocomputers, which are highly parallel computer devices with an architecture different from the von Neumann architecture. A developed algorithm for choosing the computational structure of a cloud cluster is described, starting from the direction of data transfer in the flow control graph of the program and its adjacency matrix.

Broadcasting a Lab Measurement over Existing Conductor Networks

ERIC Educational Resources Information Center

Knipp, Peter A.

2009-01-01

Students learn about physical laws and the scientific method when they analyze experimental data in a laboratory setting. Three common sources exist for the experimental data that they analyze: (1) "hands-on" measurements by the students themselves, (2) electronic transfer (by downloading a spreadsheet, video, or computer-aided data-acquisition…

FY 1978 Budget, FY 1979 Authorization Request and FY 1978-1982 Defense Programs,

DTIC Science & Technology

1977-01-17

technological opportunities with defense applica- tions -- such as long-range cruise missiles and guidance, improved sensors, 25 miniaturization, and computer ...Various methods exist for computing the number of theater nuclear weapons needed to perform these missions with an acceptable level of confidence...foreign military forces. Mini-micro computers are especially interesting. -- Finally, since geography remains important, we must recognize that the

Development of Advanced Methods of Structural and Trajectory Analysis for Transport Aircraft

NASA Technical Reports Server (NTRS)

Ardema, Mark D.

1996-01-01

In this report the author describes: (1) development of advanced methods of structural weight estimation, and (2) development of advanced methods of flight path optimization. A method of estimating the load-bearing fuselage weight and wing weight of transport aircraft based on fundamental structural principles has been developed. This method of weight estimation represents a compromise between the rapid assessment of component weight using empirical methods based on actual weights of existing aircraft and detailed, but time-consuming, analysis using the finite element method. The method was applied to eight existing subsonic transports for validation and correlation. Integration of the resulting computer program, PDCYL, has been made into the weights-calculating module of the AirCraft SYNThesis (ACSYNT) computer program. ACSYNT bas traditionally used only empirical weight estimation methods; PDCYL adds to ACSYNT a rapid, accurate means of assessing the fuselage and wing weights of unconventional aircraft. PDCYL also allows flexibility in the choice of structural concept, as well as a direct means of determining the impact of advanced materials on structural weight.

Computational inverse methods of heat source in fatigue damage problems

NASA Astrophysics Data System (ADS)

Chen, Aizhou; Li, Yuan; Yan, Bo

2018-04-01

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

Tomography and generative training with quantum Boltzmann machines

NASA Astrophysics Data System (ADS)

Kieferová, Mária; Wiebe, Nathan

2017-12-01

The promise of quantum neural nets, which utilize quantum effects to model complex data sets, has made their development an aspirational goal for quantum machine learning and quantum computing in general. Here we provide methods of training quantum Boltzmann machines. Our work generalizes existing methods and provides additional approaches for training quantum neural networks that compare favorably to existing methods. We further demonstrate that quantum Boltzmann machines enable a form of partial quantum state tomography that further provides a generative model for the input quantum state. Classical Boltzmann machines are incapable of this. This verifies the long-conjectured connection between tomography and quantum machine learning. Finally, we prove that classical computers cannot simulate our training process in general unless BQP=BPP , provide lower bounds on the complexity of the training procedures and numerically investigate training for small nonstoquastic Hamiltonians.

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

NASA Astrophysics Data System (ADS)

Breden, Maxime; Castelli, Roberto

2018-05-01

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

A novel patient-specific model to compute coronary fractional flow reserve.

PubMed

Kwon, Soon-Sung; Chung, Eui-Chul; Park, Jin-Seo; Kim, Gook-Tae; Kim, Jun-Woo; Kim, Keun-Hong; Shin, Eun-Seok; Shim, Eun Bo

2014-09-01

The fractional flow reserve (FFR) is a widely used clinical index to evaluate the functional severity of coronary stenosis. A computer simulation method based on patients' computed tomography (CT) data is a plausible non-invasive approach for computing the FFR. This method can provide a detailed solution for the stenosed coronary hemodynamics by coupling computational fluid dynamics (CFD) with the lumped parameter model (LPM) of the cardiovascular system. In this work, we have implemented a simple computational method to compute the FFR. As this method uses only coronary arteries for the CFD model and includes only the LPM of the coronary vascular system, it provides simpler boundary conditions for the coronary geometry and is computationally more efficient than existing approaches. To test the efficacy of this method, we simulated a three-dimensional straight vessel using CFD coupled with the LPM. The computed results were compared with those of the LPM. To validate this method in terms of clinically realistic geometry, a patient-specific model of stenosed coronary arteries was constructed from CT images, and the computed FFR was compared with clinically measured results. We evaluated the effect of a model aorta on the computed FFR and compared this with a model without the aorta. Computationally, the model without the aorta was more efficient than that with the aorta, reducing the CPU time required for computing a cardiac cycle to 43.4%. Copyright © 2014. Published by Elsevier Ltd.

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

Dall-Anese, Emiliano; Simonetto, Andrea

This paper focuses on the design of online algorithms based on prediction-correction steps to track the optimal solution of a time-varying constrained problem. Existing prediction-correction methods have been shown to work well for unconstrained convex problems and for settings where obtaining the inverse of the Hessian of the cost function can be computationally affordable. The prediction-correction algorithm proposed in this paper addresses the limitations of existing methods by tackling constrained problems and by designing a first-order prediction step that relies on the Hessian of the cost function (and do not require the computation of its inverse). Analytical results are establishedmore » to quantify the tracking error. Numerical simulations corroborate the analytical results and showcase performance and benefits of the algorithms.« less

A finite element method to compute three-dimensional equilibrium configurations of fluid membranes: Optimal parameterization, variational formulation and applications

NASA Astrophysics Data System (ADS)

Rangarajan, Ramsharan; Gao, Huajian

2015-09-01

We introduce a finite element method to compute equilibrium configurations of fluid membranes, identified as stationary points of a curvature-dependent bending energy functional under certain geometric constraints. The reparameterization symmetries in the problem pose a challenge in designing parametric finite element methods, and existing methods commonly resort to Lagrange multipliers or penalty parameters. In contrast, we exploit these symmetries by representing solution surfaces as normal offsets of given reference surfaces and entirely bypass the need for artificial constraints. We then resort to a Galerkin finite element method to compute discrete C1 approximations of the normal offset coordinate. The variational framework presented is suitable for computing deformations of three-dimensional membranes subject to a broad range of external interactions. We provide a systematic algorithm for computing large deformations, wherein solutions at subsequent load steps are identified as perturbations of previously computed ones. We discuss the numerical implementation of the method in detail and demonstrate its optimal convergence properties using examples. We discuss applications of the method to studying adhesive interactions of fluid membranes with rigid substrates and to investigate the influence of membrane tension in tether formation.

Laser Spot Tracking Based on Modified Circular Hough Transform and Motion Pattern Analysis

PubMed Central

Krstinić, Damir; Skelin, Ana Kuzmanić; Milatić, Ivan

2014-01-01

Laser pointers are one of the most widely used interactive and pointing devices in different human-computer interaction systems. Existing approaches to vision-based laser spot tracking are designed for controlled indoor environments with the main assumption that the laser spot is very bright, if not the brightest, spot in images. In this work, we are interested in developing a method for an outdoor, open-space environment, which could be implemented on embedded devices with limited computational resources. Under these circumstances, none of the assumptions of existing methods for laser spot tracking can be applied, yet a novel and fast method with robust performance is required. Throughout the paper, we will propose and evaluate an efficient method based on modified circular Hough transform and Lucas–Kanade motion analysis. Encouraging results on a representative dataset demonstrate the potential of our method in an uncontrolled outdoor environment, while achieving maximal accuracy indoors. Our dataset and ground truth data are made publicly available for further development. PMID:25350502

Laser spot tracking based on modified circular Hough transform and motion pattern analysis.

PubMed

Krstinić, Damir; Skelin, Ana Kuzmanić; Milatić, Ivan

2014-10-27

Laser pointers are one of the most widely used interactive and pointing devices in different human-computer interaction systems. Existing approaches to vision-based laser spot tracking are designed for controlled indoor environments with the main assumption that the laser spot is very bright, if not the brightest, spot in images. In this work, we are interested in developing a method for an outdoor, open-space environment, which could be implemented on embedded devices with limited computational resources. Under these circumstances, none of the assumptions of existing methods for laser spot tracking can be applied, yet a novel and fast method with robust performance is required. Throughout the paper, we will propose and evaluate an efficient method based on modified circular Hough transform and Lucas-Kanade motion analysis. Encouraging results on a representative dataset demonstrate the potential of our method in an uncontrolled outdoor environment, while achieving maximal accuracy indoors. Our dataset and ground truth data are made publicly available for further development.

A Summary of Data and Findings from the First Aeroelastic Prediction Workshop

NASA Technical Reports Server (NTRS)

Schuster, David M.; Chwalowski, Pawel.; Heeg, Jennifer; Wieseman, Carol D.

2012-01-01

This paper summarizes data and findings from the first Aeroelastic Prediction Workshop (AePW) held in April, 2012. The workshop has been designed as a series of technical interchange meetings to assess the state of the art of computational methods for predicting unsteady flowfields and static and dynamic aeroelastic response. The goals are to provide an impartial forum to evaluate the effectiveness of existing computer codes and modeling techniques to simulate aeroelastic problems, and to identify computational and experimental areas needing additional research and development. For this initial workshop, three subject configurations have been chosen from existing wind tunnel data sets where there is pertinent experimental data available for comparison. Participant researchers analyzed one or more of the subject configurations and results from all of these computations were compared at the workshop. Keywords: Unsteady Aerodynamics, Aeroelasticity, Computational Fluid Dynamics, Transonic Flow, Separated Flow.

Computation and measurement of cell decision making errors using single cell data

PubMed Central

Habibi, Iman; Cheong, Raymond; Levchenko, Andre; Emamian, Effat S.; Abdi, Ali

2017-01-01

In this study a new computational method is developed to quantify decision making errors in cells, caused by noise and signaling failures. Analysis of tumor necrosis factor (TNF) signaling pathway which regulates the transcription factor Nuclear Factor κB (NF-κB) using this method identifies two types of incorrect cell decisions called false alarm and miss. These two events represent, respectively, declaring a signal which is not present and missing a signal that does exist. Using single cell experimental data and the developed method, we compute false alarm and miss error probabilities in wild-type cells and provide a formulation which shows how these metrics depend on the signal transduction noise level. We also show that in the presence of abnormalities in a cell, decision making processes can be significantly affected, compared to a wild-type cell, and the method is able to model and measure such effects. In the TNF—NF-κB pathway, the method computes and reveals changes in false alarm and miss probabilities in A20-deficient cells, caused by cell’s inability to inhibit TNF-induced NF-κB response. In biological terms, a higher false alarm metric in this abnormal TNF signaling system indicates perceiving more cytokine signals which in fact do not exist at the system input, whereas a higher miss metric indicates that it is highly likely to miss signals that actually exist. Overall, this study demonstrates the ability of the developed method for modeling cell decision making errors under normal and abnormal conditions, and in the presence of transduction noise uncertainty. Compared to the previously reported pathway capacity metric, our results suggest that the introduced decision error metrics characterize signaling failures more accurately. This is mainly because while capacity is a useful metric to study information transmission in signaling pathways, it does not capture the overlap between TNF-induced noisy response curves. PMID:28379950

Computation and measurement of cell decision making errors using single cell data.

PubMed

Habibi, Iman; Cheong, Raymond; Lipniacki, Tomasz; Levchenko, Andre; Emamian, Effat S; Abdi, Ali

2017-04-01

In this study a new computational method is developed to quantify decision making errors in cells, caused by noise and signaling failures. Analysis of tumor necrosis factor (TNF) signaling pathway which regulates the transcription factor Nuclear Factor κB (NF-κB) using this method identifies two types of incorrect cell decisions called false alarm and miss. These two events represent, respectively, declaring a signal which is not present and missing a signal that does exist. Using single cell experimental data and the developed method, we compute false alarm and miss error probabilities in wild-type cells and provide a formulation which shows how these metrics depend on the signal transduction noise level. We also show that in the presence of abnormalities in a cell, decision making processes can be significantly affected, compared to a wild-type cell, and the method is able to model and measure such effects. In the TNF-NF-κB pathway, the method computes and reveals changes in false alarm and miss probabilities in A20-deficient cells, caused by cell's inability to inhibit TNF-induced NF-κB response. In biological terms, a higher false alarm metric in this abnormal TNF signaling system indicates perceiving more cytokine signals which in fact do not exist at the system input, whereas a higher miss metric indicates that it is highly likely to miss signals that actually exist. Overall, this study demonstrates the ability of the developed method for modeling cell decision making errors under normal and abnormal conditions, and in the presence of transduction noise uncertainty. Compared to the previously reported pathway capacity metric, our results suggest that the introduced decision error metrics characterize signaling failures more accurately. This is mainly because while capacity is a useful metric to study information transmission in signaling pathways, it does not capture the overlap between TNF-induced noisy response curves.

A rapid parallelization of cone-beam projection and back-projection operator based on texture fetching interpolation

NASA Astrophysics Data System (ADS)

Xie, Lizhe; Hu, Yining; Chen, Yang; Shi, Luyao

2015-03-01

Projection and back-projection are the most computational consuming parts in Computed Tomography (CT) reconstruction. Parallelization strategies using GPU computing techniques have been introduced. We in this paper present a new parallelization scheme for both projection and back-projection. The proposed method is based on CUDA technology carried out by NVIDIA Corporation. Instead of build complex model, we aimed on optimizing the existing algorithm and make it suitable for CUDA implementation so as to gain fast computation speed. Besides making use of texture fetching operation which helps gain faster interpolation speed, we fixed sampling numbers in the computation of projection, to ensure the synchronization of blocks and threads, thus prevents the latency caused by inconsistent computation complexity. Experiment results have proven the computational efficiency and imaging quality of the proposed method.

From empirical data to time-inhomogeneous continuous Markov processes.

PubMed

Lencastre, Pedro; Raischel, Frank; Rogers, Tim; Lind, Pedro G

2016-03-01

We present an approach for testing for the existence of continuous generators of discrete stochastic transition matrices. Typically, existing methods to ascertain the existence of continuous Markov processes are based on the assumption that only time-homogeneous generators exist. Here a systematic extension to time inhomogeneity is presented, based on new mathematical propositions incorporating necessary and sufficient conditions, which are then implemented computationally and applied to numerical data. A discussion concerning the bridging between rigorous mathematical results on the existence of generators to its computational implementation is presented. Our detection algorithm shows to be effective in more than 60% of tested matrices, typically 80% to 90%, and for those an estimate of the (nonhomogeneous) generator matrix follows. We also solve the embedding problem analytically for the particular case of three-dimensional circulant matrices. Finally, a discussion of possible applications of our framework to problems in different fields is briefly addressed.

Physical and numerical sources of computational inefficiency in integration of chemical kinetic rate equations: Etiology, treatment and prognosis

NASA Technical Reports Server (NTRS)

Pratt, D. T.; Radhakrishnan, K.

1986-01-01

The design of a very fast, automatic black-box code for homogeneous, gas-phase chemical kinetics problems requires an understanding of the physical and numerical sources of computational inefficiency. Some major sources reviewed in this report are stiffness of the governing ordinary differential equations (ODE's) and its detection, choice of appropriate method (i.e., integration algorithm plus step-size control strategy), nonphysical initial conditions, and too frequent evaluation of thermochemical and kinetic properties. Specific techniques are recommended (and some advised against) for improving or overcoming the identified problem areas. It is argued that, because reactive species increase exponentially with time during induction, and all species exhibit asymptotic, exponential decay with time during equilibration, exponential-fitted integration algorithms are inherently more accurate for kinetics modeling than classical, polynomial-interpolant methods for the same computational work. But current codes using the exponential-fitted method lack the sophisticated stepsize-control logic of existing black-box ODE solver codes, such as EPISODE and LSODE. The ultimate chemical kinetics code does not exist yet, but the general characteristics of such a code are becoming apparent.

Quantum Computing and Second Quantization

DOE PAGES

Makaruk, Hanna Ewa

2017-02-10

Quantum computers are by their nature many particle quantum systems. Both the many-particle arrangement and being quantum are necessary for the existence of the entangled states, which are responsible for the parallelism of the quantum computers. Second quantization is a very important approximate method of describing such systems. This lecture will present the general idea of the second quantization, and discuss shortly some of the most important formulations of second quantization.

Quantum Computing and Second Quantization

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

Makaruk, Hanna Ewa

Quantum computers are by their nature many particle quantum systems. Both the many-particle arrangement and being quantum are necessary for the existence of the entangled states, which are responsible for the parallelism of the quantum computers. Second quantization is a very important approximate method of describing such systems. This lecture will present the general idea of the second quantization, and discuss shortly some of the most important formulations of second quantization.

A Computer Program for the Calculation of Three-Dimensional Transonic Nacelle/Inlet Flowfields

NASA Technical Reports Server (NTRS)

Vadyak, J.; Atta, E. H.

1983-01-01

A highly efficient computer analysis was developed for predicting transonic nacelle/inlet flowfields. This algorithm can compute the three dimensional transonic flowfield about axisymmetric (or asymmetric) nacelle/inlet configurations at zero or nonzero incidence. The flowfield is determined by solving the full-potential equation in conservative form on a body-fitted curvilinear computational mesh. The difference equations are solved using the AF2 approximate factorization scheme. This report presents a discussion of the computational methods used to both generate the body-fitted curvilinear mesh and to obtain the inviscid flow solution. Computed results and correlations with existing methods and experiment are presented. Also presented are discussions on the organization of the grid generation (NGRIDA) computer program and the flow solution (NACELLE) computer program, descriptions of the respective subroutines, definitions of the required input parameters for both algorithms, a brief discussion on interpretation of the output, and sample cases to illustrate application of the analysis.

PCV: An Alignment Free Method for Finding Homologous Nucleotide Sequences and its Application in Phylogenetic Study.

PubMed

Kumar, Rajnish; Mishra, Bharat Kumar; Lahiri, Tapobrata; Kumar, Gautam; Kumar, Nilesh; Gupta, Rahul; Pal, Manoj Kumar

2017-06-01

Online retrieval of the homologous nucleotide sequences through existing alignment techniques is a common practice against the given database of sequences. The salient point of these techniques is their dependence on local alignment techniques and scoring matrices the reliability of which is limited by computational complexity and accuracy. Toward this direction, this work offers a novel way for numerical representation of genes which can further help in dividing the data space into smaller partitions helping formation of a search tree. In this context, this paper introduces a 36-dimensional Periodicity Count Value (PCV) which is representative of a particular nucleotide sequence and created through adaptation from the concept of stochastic model of Kolekar et al. (American Institute of Physics 1298:307-312, 2010. doi: 10.1063/1.3516320 ). The PCV construct uses information on physicochemical properties of nucleotides and their positional distribution pattern within a gene. It is observed that PCV representation of gene reduces computational cost in the calculation of distances between a pair of genes while being consistent with the existing methods. The validity of PCV-based method was further tested through their use in molecular phylogeny constructs in comparison with that using existing sequence alignment methods.

Parallel solution of sparse one-dimensional dynamic programming problems

NASA Technical Reports Server (NTRS)

Nicol, David M.

1989-01-01

Parallel computation offers the potential for quickly solving large computational problems. However, it is often a non-trivial task to effectively use parallel computers. Solution methods must sometimes be reformulated to exploit parallelism; the reformulations are often more complex than their slower serial counterparts. We illustrate these points by studying the parallelization of sparse one-dimensional dynamic programming problems, those which do not obviously admit substantial parallelization. We propose a new method for parallelizing such problems, develop analytic models which help us to identify problems which parallelize well, and compare the performance of our algorithm with existing algorithms on a multiprocessor.

Algorithms for the explicit computation of Penrose diagrams

NASA Astrophysics Data System (ADS)

Schindler, J. C.; Aguirre, A.

2018-05-01

An algorithm is given for explicitly computing Penrose diagrams for spacetimes of the form . The resulting diagram coordinates are shown to extend the metric continuously and nondegenerately across an arbitrary number of horizons. The method is extended to include piecewise approximations to dynamically evolving spacetimes using a standard hypersurface junction procedure. Examples generated by an implementation of the algorithm are shown for standard and new cases. In the appendix, this algorithm is compared to existing methods.

A SINDA thermal model using CAD/CAE technologies

NASA Technical Reports Server (NTRS)

Rodriguez, Jose A.; Spencer, Steve

1992-01-01

The approach to thermal analysis described by this paper is a technique that incorporates Computer Aided Design (CAD) and Computer Aided Engineering (CAE) to develop a thermal model that has the advantages of Finite Element Methods (FEM) without abandoning the unique advantages of Finite Difference Methods (FDM) in the analysis of thermal systems. The incorporation of existing CAD geometry, the powerful use of a pre and post processor and the ability to do interdisciplinary analysis, will be described.

User's guide to Monte Carlo methods for evaluating path integrals

NASA Astrophysics Data System (ADS)

Westbroek, Marise J. E.; King, Peter R.; Vvedensky, Dimitri D.; Dürr, Stephan

2018-04-01

We give an introduction to the calculation of path integrals on a lattice, with the quantum harmonic oscillator as an example. In addition to providing an explicit computational setup and corresponding pseudocode, we pay particular attention to the existence of autocorrelations and the calculation of reliable errors. The over-relaxation technique is presented as a way to counter strong autocorrelations. The simulation methods can be extended to compute observables for path integrals in other settings.

Efficient iterative method for solving the Dirac-Kohn-Sham density functional theory

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

Lin, Lin; Shao, Sihong; E, Weinan

2012-11-06

We present for the first time an efficient iterative method to directly solve the four-component Dirac-Kohn-Sham (DKS) density functional theory. Due to the existence of the negative energy continuum in the DKS operator, the existing iterative techniques for solving the Kohn-Sham systems cannot be efficiently applied to solve the DKS systems. The key component of our method is a novel filtering step (F) which acts as a preconditioner in the framework of the locally optimal block preconditioned conjugate gradient (LOBPCG) method. The resulting method, dubbed the LOBPCG-F method, is able to compute the desired eigenvalues and eigenvectors in the positive energy band without computing any state in the negative energy band. The LOBPCG-F method introduces mild extra cost compared to the standard LOBPCG method and can be easily implemented. We demonstrate our method in the pseudopotential framework with a planewave basis set which naturally satisfies the kinetic balance prescription. Numerical results for Ptmore » $$_{2}$$, Au$$_{2}$$, TlF, and Bi$$_{2}$$Se$$_{3}$$ indicate that the LOBPCG-F method is a robust and efficient method for investigating the relativistic effect in systems containing heavy elements.« less

Generalized Ordinary Differential Equation Models 1

PubMed Central

Miao, Hongyu; Wu, Hulin; Xue, Hongqi

2014-01-01

Existing estimation methods for ordinary differential equation (ODE) models are not applicable to discrete data. The generalized ODE (GODE) model is therefore proposed and investigated for the first time. We develop the likelihood-based parameter estimation and inference methods for GODE models. We propose robust computing algorithms and rigorously investigate the asymptotic properties of the proposed estimator by considering both measurement errors and numerical errors in solving ODEs. The simulation study and application of our methods to an influenza viral dynamics study suggest that the proposed methods have a superior performance in terms of accuracy over the existing ODE model estimation approach and the extended smoothing-based (ESB) method. PMID:25544787

Generalized Ordinary Differential Equation Models.

PubMed

Miao, Hongyu; Wu, Hulin; Xue, Hongqi

2014-10-01

Existing estimation methods for ordinary differential equation (ODE) models are not applicable to discrete data. The generalized ODE (GODE) model is therefore proposed and investigated for the first time. We develop the likelihood-based parameter estimation and inference methods for GODE models. We propose robust computing algorithms and rigorously investigate the asymptotic properties of the proposed estimator by considering both measurement errors and numerical errors in solving ODEs. The simulation study and application of our methods to an influenza viral dynamics study suggest that the proposed methods have a superior performance in terms of accuracy over the existing ODE model estimation approach and the extended smoothing-based (ESB) method.

Interfacing External Quantum Devices to a Universal Quantum Computer

PubMed Central

Lagana, Antonio A.; Lohe, Max A.; von Smekal, Lorenz

2011-01-01

We present a scheme to use external quantum devices using the universal quantum computer previously constructed. We thereby show how the universal quantum computer can utilize networked quantum information resources to carry out local computations. Such information may come from specialized quantum devices or even from remote universal quantum computers. We show how to accomplish this by devising universal quantum computer programs that implement well known oracle based quantum algorithms, namely the Deutsch, Deutsch-Jozsa, and the Grover algorithms using external black-box quantum oracle devices. In the process, we demonstrate a method to map existing quantum algorithms onto the universal quantum computer. PMID:22216276

Interfacing external quantum devices to a universal quantum computer.

PubMed

Lagana, Antonio A; Lohe, Max A; von Smekal, Lorenz

2011-01-01

We present a scheme to use external quantum devices using the universal quantum computer previously constructed. We thereby show how the universal quantum computer can utilize networked quantum information resources to carry out local computations. Such information may come from specialized quantum devices or even from remote universal quantum computers. We show how to accomplish this by devising universal quantum computer programs that implement well known oracle based quantum algorithms, namely the Deutsch, Deutsch-Jozsa, and the Grover algorithms using external black-box quantum oracle devices. In the process, we demonstrate a method to map existing quantum algorithms onto the universal quantum computer. © 2011 Lagana et al.

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

Cary, J.R.

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

Method and appartus for converting static in-ground vehicle scales into weigh-in-motion systems

DOEpatents

Muhs, Jeffrey D.; Scudiere, Matthew B.; Jordan, John K.

2002-01-01

An apparatus and method for converting in-ground static weighing scales for vehicles to weigh-in-motion systems. The apparatus upon conversion includes the existing in-ground static scale, peripheral switches and an electronic module for automatic computation of the weight. By monitoring the velocity, tire position, axle spacing, and real time output from existing static scales as a vehicle drives over the scales, the system determines when an axle of a vehicle is on the scale at a given time, monitors the combined weight output from any given axle combination on the scale(s) at any given time, and from these measurements automatically computes the weight of each individual axle and gross vehicle weight by an integration, integration approximation, and/or signal averaging technique.

Deformable registration of CT and cone-beam CT with local intensity matching.

PubMed

Park, Seyoun; Plishker, William; Quon, Harry; Wong, John; Shekhar, Raj; Lee, Junghoon

2017-02-07

Cone-beam CT (CBCT) is a widely used intra-operative imaging modality in image-guided radiotherapy and surgery. A short scan followed by a filtered-backprojection is typically used for CBCT reconstruction. While data on the mid-plane (plane of source-detector rotation) is complete, off-mid-planes undergo different information deficiency and the computed reconstructions are approximate. This causes different reconstruction artifacts at off-mid-planes depending on slice locations, and therefore impedes accurate registration between CT and CBCT. In this paper, we propose a method to accurately register CT and CBCT by iteratively matching local CT and CBCT intensities. We correct CBCT intensities by matching local intensity histograms slice by slice in conjunction with intensity-based deformable registration. The correction-registration steps are repeated in an alternating way until the result image converges. We integrate the intensity matching into three different deformable registration methods, B-spline, demons, and optical flow that are widely used for CT-CBCT registration. All three registration methods were implemented on a graphics processing unit for efficient parallel computation. We tested the proposed methods on twenty five head and neck cancer cases and compared the performance with state-of-the-art registration methods. Normalized cross correlation (NCC), structural similarity index (SSIM), and target registration error (TRE) were computed to evaluate the registration performance. Our method produced overall NCC of 0.96, SSIM of 0.94, and TRE of 2.26 → 2.27 mm, outperforming existing methods by 9%, 12%, and 27%, respectively. Experimental results also show that our method performs consistently and is more accurate than existing algorithms, and also computationally efficient.

Deformable registration of CT and cone-beam CT with local intensity matching

NASA Astrophysics Data System (ADS)

Park, Seyoun; Plishker, William; Quon, Harry; Wong, John; Shekhar, Raj; Lee, Junghoon

2017-02-01

Cone-beam CT (CBCT) is a widely used intra-operative imaging modality in image-guided radiotherapy and surgery. A short scan followed by a filtered-backprojection is typically used for CBCT reconstruction. While data on the mid-plane (plane of source-detector rotation) is complete, off-mid-planes undergo different information deficiency and the computed reconstructions are approximate. This causes different reconstruction artifacts at off-mid-planes depending on slice locations, and therefore impedes accurate registration between CT and CBCT. In this paper, we propose a method to accurately register CT and CBCT by iteratively matching local CT and CBCT intensities. We correct CBCT intensities by matching local intensity histograms slice by slice in conjunction with intensity-based deformable registration. The correction-registration steps are repeated in an alternating way until the result image converges. We integrate the intensity matching into three different deformable registration methods, B-spline, demons, and optical flow that are widely used for CT-CBCT registration. All three registration methods were implemented on a graphics processing unit for efficient parallel computation. We tested the proposed methods on twenty five head and neck cancer cases and compared the performance with state-of-the-art registration methods. Normalized cross correlation (NCC), structural similarity index (SSIM), and target registration error (TRE) were computed to evaluate the registration performance. Our method produced overall NCC of 0.96, SSIM of 0.94, and TRE of 2.26 → 2.27 mm, outperforming existing methods by 9%, 12%, and 27%, respectively. Experimental results also show that our method performs consistently and is more accurate than existing algorithms, and also computationally efficient.

A method of non-contact reading code based on computer vision

NASA Astrophysics Data System (ADS)

Zhang, Chunsen; Zong, Xiaoyu; Guo, Bingxuan

2018-03-01

With the purpose of guarantee the computer information exchange security between internal and external network (trusted network and un-trusted network), A non-contact Reading code method based on machine vision has been proposed. Which is different from the existing network physical isolation method. By using the computer monitors, camera and other equipment. Deal with the information which will be on exchanged, Include image coding ,Generate the standard image , Display and get the actual image , Calculate homography matrix, Image distort correction and decoding in calibration, To achieve the computer information security, Non-contact, One-way transmission between the internal and external network , The effectiveness of the proposed method is verified by experiments on real computer text data, The speed of data transfer can be achieved 24kb/s. The experiment shows that this algorithm has the characteristics of high security, fast velocity and less loss of information. Which can meet the daily needs of the confidentiality department to update the data effectively and reliably, Solved the difficulty of computer information exchange between Secret network and non-secret network, With distinctive originality, practicability, and practical research value.

Using self-organizing maps to infill missing data in hydro-meteorological time series from the Logone catchment, Lake Chad basin.

PubMed

Nkiaka, E; Nawaz, N R; Lovett, J C

2016-07-01

Hydro-meteorological data is an important asset that can enhance management of water resources. But existing data often contains gaps, leading to uncertainties and so compromising their use. Although many methods exist for infilling data gaps in hydro-meteorological time series, many of these methods require inputs from neighbouring stations, which are often not available, while other methods are computationally demanding. Computing techniques such as artificial intelligence can be used to address this challenge. Self-organizing maps (SOMs), which are a type of artificial neural network, were used for infilling gaps in a hydro-meteorological time series in a Sudano-Sahel catchment. The coefficients of determination obtained were all above 0.75 and 0.65 while the average topographic error was 0.008 and 0.02 for rainfall and river discharge time series, respectively. These results further indicate that SOMs are a robust and efficient method for infilling missing gaps in hydro-meteorological time series.

Math modeling and computer mechanization for real time simulation of rotary-wing aircraft

NASA Technical Reports Server (NTRS)

Howe, R. M.

1979-01-01

Mathematical modeling and computer mechanization for real time simulation of rotary wing aircraft is discussed. Error analysis in the digital simulation of dynamic systems, such as rotary wing aircraft is described. The method for digital simulation of nonlinearities with discontinuities, such as exist in typical flight control systems and rotor blade hinges, is discussed.

A Review of EEG-Based Brain-Computer Interfaces as Access Pathways for Individuals with Severe Disabilities

ERIC Educational Resources Information Center

Moghimi, Saba; Kushki, Azadeh; Guerguerian, Anne Marie; Chau, Tom

2013-01-01

Electroencephalography (EEG) is a non-invasive method for measuring brain activity and is a strong candidate for brain-computer interface (BCI) development. While BCIs can be used as a means of communication for individuals with severe disabilities, the majority of existing studies have reported BCI evaluations by able-bodied individuals.…

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

EPA Science Inventory

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

A multilevel finite element method for Fredholm integral eigenvalue problems

NASA Astrophysics Data System (ADS)

Xie, Hehu; Zhou, Tao

2015-12-01

In this work, we proposed a multigrid finite element (MFE) method for solving the Fredholm integral eigenvalue problems. The main motivation for such studies is to compute the Karhunen-Loève expansions of random fields, which play an important role in the applications of uncertainty quantification. In our MFE framework, solving the eigenvalue problem is converted to doing a series of integral iterations and eigenvalue solving in the coarsest mesh. Then, any existing efficient integration scheme can be used for the associated integration process. The error estimates are provided, and the computational complexity is analyzed. It is noticed that the total computational work of our method is comparable with a single integration step in the finest mesh. Several numerical experiments are presented to validate the efficiency of the proposed numerical method.

Computation of viscous incompressible flows

NASA Technical Reports Server (NTRS)

Kwak, Dochan

1989-01-01

Incompressible Navier-Stokes solution methods and their applications to three-dimensional flows are discussed. A brief review of existing methods is given followed by a detailed description of recent progress on development of three-dimensional generalized flow solvers. Emphasis is placed on primitive variable formulations which are most promising and flexible for general three-dimensional computations of viscous incompressible flows. Both steady- and unsteady-solution algorithms and their salient features are discussed. Finally, examples of real world applications of these flow solvers are given.

Efficient option valuation of single and double barrier options

NASA Astrophysics Data System (ADS)

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

2017-12-01

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

Overview of the Aeroelastic Prediction Workshop

NASA Technical Reports Server (NTRS)

Heeg, Jennifer; Chwalowski, Pawel; Schuster, David M.; Dalenbring, Mats

2013-01-01

The AIAA Aeroelastic Prediction Workshop (AePW) was held in April, 2012, bringing together communities of aeroelasticians and computational fluid dynamicists. The objective in conducting this workshop on aeroelastic prediction was to assess state-of-the-art computational aeroelasticity methods as practical tools for the prediction of static and dynamic aeroelastic phenomena. No comprehensive aeroelastic benchmarking validation standard currently exists, greatly hindering validation and state-of-the-art assessment objectives. The workshop was a step towards assessing the state of the art in computational aeroelasticity. This was an opportunity to discuss and evaluate the effectiveness of existing computer codes and modeling techniques for unsteady flow, and to identify computational and experimental areas needing additional research and development. Three configurations served as the basis for the workshop, providing different levels of geometric and flow field complexity. All cases considered involved supercritical airfoils at transonic conditions. The flow fields contained oscillating shocks and in some cases, regions of separation. The computational tools principally employed Reynolds-Averaged Navier Stokes solutions. The successes and failures of the computations and the experiments are examined in this paper.

Three-phase short circuit calculation method based on pre-computed surface for doubly fed induction generator

NASA Astrophysics Data System (ADS)

Ma, J.; Liu, Q.

2018-02-01

This paper presents an improved short circuit calculation method, based on pre-computed surface to determine the short circuit current of a distribution system with multiple doubly fed induction generators (DFIGs). The short circuit current, injected into power grid by DFIG, is determined by low voltage ride through (LVRT) control and protection under grid fault. However, the existing methods are difficult to calculate the short circuit current of DFIG in engineering practice due to its complexity. A short circuit calculation method, based on pre-computed surface, was proposed by developing the surface of short circuit current changing with the calculating impedance and the open circuit voltage. And the short circuit currents were derived by taking into account the rotor excitation and crowbar activation time. Finally, the pre-computed surfaces of short circuit current at different time were established, and the procedure of DFIG short circuit calculation considering its LVRT was designed. The correctness of proposed method was verified by simulation.

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

I. W. Ginsberg

Multiresolutional decompositions known as spectral fingerprints are often used to extract spectral features from multispectral/hyperspectral data. In this study, the authors investigate the use of wavelet-based algorithms for generating spectral fingerprints. The wavelet-based algorithms are compared to the currently used method, traditional convolution with first-derivative Gaussian filters. The comparison analyses consists of two parts: (a) the computational expense of the new method is compared with the computational costs of the current method and (b) the outputs of the wavelet-based methods are compared with those of the current method to determine any practical differences in the resulting spectral fingerprints. The resultsmore » show that the wavelet-based algorithms can greatly reduce the computational expense of generating spectral fingerprints, while practically no differences exist in the resulting fingerprints. The analysis is conducted on a database of hyperspectral signatures, namely, Hyperspectral Digital Image Collection Experiment (HYDICE) signatures. The reduction in computational expense is by a factor of about 30, and the average Euclidean distance between resulting fingerprints is on the order of 0.02.« less

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

Tukey, J.W.; Bloomfield, P.

In its most general terms, the work carried out under the contract consists of the development of new data analytic methods and the improvement of existing methods, their implementation on computer, especially minicomputers, and the development of non-statistical, systems-level software to support these activities. The work reported or completed is reviewed. (GHT)

Design issues for grid-connected photovoltaic systems

NASA Astrophysics Data System (ADS)

Ropp, Michael Eugene

1998-08-01

Photovoltaics (PV) is the direct conversion of sunlight to electrical energy. In areas without centralized utility grids, the benefits of PV easily overshadow the present shortcomings of the technology. However, in locations with centralized utility systems, significant technical challenges remain before utility-interactive PV (UIPV) systems can be integrated into the mix of electricity sources. One challenge is that the needed computer design tools for optimal design of PV systems with curved PV arrays are not available, and even those that are available do not facilitate monitoring of the system once it is built. Another arises from the issue of islanding. Islanding occurs when a UIPV system continues to energize a section of a utility system after that section has been isolated from the utility voltage source. Islanding, which is potentially dangerous to both personnel and equipment, is difficult to prevent completely. The work contained within this thesis targets both of these technical challenges. In Task 1, a method for modeling a PV system with a curved PV array using only existing computer software is developed. This methodology also facilitates comparison of measured and modeled data for use in system monitoring. The procedure is applied to the Georgia Tech Aquatic Center (GTAC) FV system. In the work contained under Task 2, islanding prevention is considered. The existing state-of-the- art is thoroughly reviewed. In Subtask 2.1, an analysis is performed which suggests that standard protective relays are in fact insufficient to guarantee protection against islanding. In Subtask 2.2. several existing islanding prevention methods are compared in a novel way. The superiority of this new comparison over those used previously is demonstrated. A new islanding prevention method is the subject under Subtask 2.3. It is shown that it does not compare favorably with other existing techniques. However, in Subtask 2.4, a novel method for dramatically improving this new islanding prevention method is described. It is shown, both by computer modeling and experiment, that this new method is one of the most effective available today. Finally, under Subtask 2.5, the effects of certain types of loads; on the effectiveness of islanding prevention methods are discussed.

50 CFR 263.53 - Other funds.

Code of Federal Regulations, 2014 CFR

2014-10-01

... distribute these funds after he or she has made a thorough evaluation of the scientific information submitted... only by existing methods and technology. Any fishery resource used in computing the states' amount...

50 CFR 263.53 - Other funds.

Code of Federal Regulations, 2011 CFR

2011-10-01

... distribute these funds after he or she has made a thorough evaluation of the scientific information submitted... only by existing methods and technology. Any fishery resource used in computing the states' amount...

50 CFR 263.53 - Other funds.

Code of Federal Regulations, 2012 CFR

2012-10-01

... distribute these funds after he or she has made a thorough evaluation of the scientific information submitted... only by existing methods and technology. Any fishery resource used in computing the states' amount...

50 CFR 263.53 - Other funds.

Code of Federal Regulations, 2013 CFR

2013-10-01

... distribute these funds after he or she has made a thorough evaluation of the scientific information submitted... only by existing methods and technology. Any fishery resource used in computing the states' amount...

Two dimensional aerodynamic interference effects on oscillating airfoils with flaps in ventilated subsonic wind tunnels. [computational fluid dynamics

NASA Technical Reports Server (NTRS)

Fromme, J.; Golberg, M.; Werth, J.

1979-01-01

The numerical computation of unsteady airloads acting upon thin airfoils with multiple leading and trailing-edge controls in two-dimensional ventilated subsonic wind tunnels is studied. The foundation of the computational method is strengthened with a new and more powerful mathematical existence and convergence theory for solving Cauchy singular integral equations of the first kind, and the method of convergence acceleration by extrapolation to the limit is introduced to analyze airfoils with flaps. New results are presented for steady and unsteady flow, including the effect of acoustic resonance between ventilated wind-tunnel walls and airfoils with oscillating flaps. The computer program TWODI is available for general use and a complete set of instructions is provided.

The Probability of a Gene Tree Topology within a Phylogenetic Network with Applications to Hybridization Detection

PubMed Central

Yu, Yun; Degnan, James H.; Nakhleh, Luay

2012-01-01

Gene tree topologies have proven a powerful data source for various tasks, including species tree inference and species delimitation. Consequently, methods for computing probabilities of gene trees within species trees have been developed and widely used in probabilistic inference frameworks. All these methods assume an underlying multispecies coalescent model. However, when reticulate evolutionary events such as hybridization occur, these methods are inadequate, as they do not account for such events. Methods that account for both hybridization and deep coalescence in computing the probability of a gene tree topology currently exist for very limited cases. However, no such methods exist for general cases, owing primarily to the fact that it is currently unknown how to compute the probability of a gene tree topology within the branches of a phylogenetic network. Here we present a novel method for computing the probability of gene tree topologies on phylogenetic networks and demonstrate its application to the inference of hybridization in the presence of incomplete lineage sorting. We reanalyze a Saccharomyces species data set for which multiple analyses had converged on a species tree candidate. Using our method, though, we show that an evolutionary hypothesis involving hybridization in this group has better support than one of strict divergence. A similar reanalysis on a group of three Drosophila species shows that the data is consistent with hybridization. Further, using extensive simulation studies, we demonstrate the power of gene tree topologies at obtaining accurate estimates of branch lengths and hybridization probabilities of a given phylogenetic network. Finally, we discuss identifiability issues with detecting hybridization, particularly in cases that involve extinction or incomplete sampling of taxa. PMID:22536161

Computational Methods for HSCT-Inlet Controls/CFD Interdisciplinary Research

NASA Technical Reports Server (NTRS)

Cole, Gary L.; Melcher, Kevin J.; Chicatelli, Amy K.; Hartley, Tom T.; Chung, Joongkee

1994-01-01

A program aimed at facilitating the use of computational fluid dynamics (CFD) simulations by the controls discipline is presented. The objective is to reduce the development time and cost for propulsion system controls by using CFD simulations to obtain high-fidelity system models for control design and as numerical test beds for control system testing and validation. An interdisciplinary team has been formed to develop analytical and computational tools in three discipline areas: controls, CFD, and computational technology. The controls effort has focused on specifying requirements for an interface between the controls specialist and CFD simulations and a new method for extracting linear, reduced-order control models from CFD simulations. Existing CFD codes are being modified to permit time accurate execution and provide realistic boundary conditions for controls studies. Parallel processing and distributed computing techniques, along with existing system integration software, are being used to reduce CFD execution times and to support the development of an integrated analysis/design system. This paper describes: the initial application for the technology being developed, the high speed civil transport (HSCT) inlet control problem; activities being pursued in each discipline area; and a prototype analysis/design system in place for interactive operation and visualization of a time-accurate HSCT-inlet simulation.

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

NASA Astrophysics Data System (ADS)

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

2015-12-01

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

Computational methods for vortex dominated compressible flows

NASA Technical Reports Server (NTRS)

Murman, Earll M.

1987-01-01

The principal objectives were to: understand the mechanisms by which Euler equation computations model leading edge vortex flows; understand the vortical and shock wave structures that may exist for different wing shapes, angles of incidence, and Mach numbers; and compare calculations with experiments in order to ascertain the limitations and advantages of Euler equation models. The initial approach utilized the cell centered finite volume Jameson scheme. The final calculation utilized a cell vertex finite volume method on an unstructured grid. Both methods used Runge-Kutta four stage schemes for integrating the equations. The principal findings are briefly summarized.

The silicon synapse or, neural net computing.

PubMed

Frenger, P

1989-01-01

Recent developments have rekindled interest in the electronic neural network, a form of parallel computer architecture loosely based on the nervous system of living creatures. This paper describes the elements of neural net computers, reviews the historical milestones in their development, and lists the advantages and disadvantages of their use. Methods for software simulation of neural network systems on existing computers, as well as creation of hardware analogues, are given. The most successful applications of these techniques, involving emulation of biological system responses, are presented. The author's experiences with neural net systems are discussed.

Multimodal Image Registration through Simultaneous Segmentation.

PubMed

Aganj, Iman; Fischl, Bruce

2017-11-01

Multimodal image registration facilitates the combination of complementary information from images acquired with different modalities. Most existing methods require computation of the joint histogram of the images, while some perform joint segmentation and registration in alternate iterations. In this work, we introduce a new non-information-theoretical method for pairwise multimodal image registration, in which the error of segmentation - using both images - is considered as the registration cost function. We empirically evaluate our method via rigid registration of multi-contrast brain magnetic resonance images, and demonstrate an often higher registration accuracy in the results produced by the proposed technique, compared to those by several existing methods.

Advanced Computational Techniques for Hypersonic Propulsion

NASA Technical Reports Server (NTRS)

Povinelli, Louis A.

1996-01-01

CFD has played a major role in the resurgence of hypersonic flight, on the premise that numerical methods will allow us to perform simulations at conditions for which no ground test capability exists. Validation of CFD methods is being established using the experimental data base available, which is below Mach 8. It is important, however, to realize the limitations involved in the extrapolation process as well as the deficiencies that exist in numerical methods at the present time. Current features of CFD codes are examined for application to propulsion system components. The shortcomings in simulation and modeling are identified and discussed.

CCOMP: An efficient algorithm for complex roots computation of determinantal equations

NASA Astrophysics Data System (ADS)

Zouros, Grigorios P.

2018-01-01

In this paper a free Python algorithm, entitled CCOMP (Complex roots COMPutation), is developed for the efficient computation of complex roots of determinantal equations inside a prescribed complex domain. The key to the method presented is the efficient determination of the candidate points inside the domain which, in their close neighborhood, a complex root may lie. Once these points are detected, the algorithm proceeds to a two-dimensional minimization problem with respect to the minimum modulus eigenvalue of the system matrix. In the core of CCOMP exist three sub-algorithms whose tasks are the efficient estimation of the minimum modulus eigenvalues of the system matrix inside the prescribed domain, the efficient computation of candidate points which guarantee the existence of minima, and finally, the computation of minima via bound constrained minimization algorithms. Theoretical results and heuristics support the development and the performance of the algorithm, which is discussed in detail. CCOMP supports general complex matrices, and its efficiency, applicability and validity is demonstrated to a variety of microwave applications.

On the structure of existence regions for sinks of the Hénon map

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

Galias, Zbigniew, E-mail: galias@agh.edu.pl; Tucker, Warwick, E-mail: warwick@math.uu.se

2014-03-15

An extensive search for stable periodic orbits (sinks) for the Hénon map in a small neighborhood of the classical parameter values is carried out. Several parameter values which generate a sink are found and verified by rigorous numerical computations. Each found parameter value is extended to a larger region of existence using a simplex continuation method. The structure of these regions of existence is investigated. This study shows that for the Hénon map, there exist sinks close to the classical case.

Finite-difference computations of rotor loads

NASA Technical Reports Server (NTRS)

Caradonna, F. X.; Tung, C.

1985-01-01

This paper demonstrates the current and future potential of finite-difference methods for solving real rotor problems which now rely largely on empiricism. The demonstration consists of a simple means of combining existing finite-difference, integral, and comprehensive loads codes to predict real transonic rotor flows. These computations are performed for hover and high-advance-ratio flight. Comparisons are made with experimental pressure data.

Finite-difference computations of rotor loads

NASA Technical Reports Server (NTRS)

Caradonna, F. X.; Tung, C.

1985-01-01

The current and future potential of finite difference methods for solving real rotor problems which now rely largely on empiricism are demonstrated. The demonstration consists of a simple means of combining existing finite-difference, integral, and comprehensive loads codes to predict real transonic rotor flows. These computations are performed for hover and high-advanced-ratio flight. Comparisons are made with experimental pressure data.

Rapid Development and Distribution of Mobile Media-Rich Clinical Practice Guidelines Nationwide in Colombia.

PubMed

Flórez-Arango, José F; Sriram Iyengar, M; Caicedo, Indira T; Escobar, German

2017-01-01

Development and electronic distribution of Clinical Practice Guidelines production is costly and challenging. This poster presents a rapid method to represent existing guidelines in auditable, computer executable multimedia format. We used a technology that enables a small number of clinicians to, in a short period of time, develop a substantial amount of computer executable guidelines without programming.

Structural design using equilibrium programming formulations

NASA Technical Reports Server (NTRS)

Scotti, Stephen J.

1995-01-01

Solutions to increasingly larger structural optimization problems are desired. However, computational resources are strained to meet this need. New methods will be required to solve increasingly larger problems. The present approaches to solving large-scale problems involve approximations for the constraints of structural optimization problems and/or decomposition of the problem into multiple subproblems that can be solved in parallel. An area of game theory, equilibrium programming (also known as noncooperative game theory), can be used to unify these existing approaches from a theoretical point of view (considering the existence and optimality of solutions), and be used as a framework for the development of new methods for solving large-scale optimization problems. Equilibrium programming theory is described, and existing design techniques such as fully stressed design and constraint approximations are shown to fit within its framework. Two new structural design formulations are also derived. The first new formulation is another approximation technique which is a general updating scheme for the sensitivity derivatives of design constraints. The second new formulation uses a substructure-based decomposition of the structure for analysis and sensitivity calculations. Significant computational benefits of the new formulations compared with a conventional method are demonstrated.

Experimental and CFD evidence of multiple solutions in a naturally ventilated building.

PubMed

Heiselberg, P; Li, Y; Andersen, A; Bjerre, M; Chen, Z

2004-02-01

This paper considers the existence of multiple solutions to natural ventilation of a simple one-zone building, driven by combined thermal and opposing wind forces. The present analysis is an extension of an earlier analytical study of natural ventilation in a fully mixed building, and includes the effect of thermal stratification. Both computational and experimental investigations were carried out in parallel with an analytical investigation. When flow is dominated by thermal buoyancy, it was found experimentally that there is thermal stratification. When the flow is wind-dominated, the room is fully mixed. Results from all three methods have shown that the hysteresis phenomena exist. Under certain conditions, two different stable steady-state solutions are found to exist by all three methods for the same set of parameters. As shown by both the computational fluid dynamics (CFD) and experimental results, one of the solutions can shift to another when there is a sufficient perturbation. These results have probably provided the strongest evidence so far for the conclusion that multiple states exist in natural ventilation of simple buildings. Different initial conditions in the CFD simulations led to different solutions, suggesting that caution must be taken when adopting the commonly used 'zero initialization'.

An XML-based method for astronomy software designing

NASA Astrophysics Data System (ADS)

Liao, Mingxue; Aili, Yusupu; Zhang, Jin

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

Satellite estimation of incident photosynthetically active radiation using ultraviolet reflectance

NASA Technical Reports Server (NTRS)

Eck, Thomas F.; Dye, Dennis G.

1991-01-01

A new satellite remote sensing method for estimating the amount of photosynthetically active radiation (PAR, 400-700 nm) incident at the earth's surface is described and tested. Potential incident PAR for clear sky conditions is computed from an existing spectral model. A major advantage of the UV approach over existing visible band approaches to estimating insolation is the improved ability to discriminate clouds from high-albedo background surfaces. UV spectral reflectance data from the Total Ozone Mapping Spectrometer (TOMS) were used to test the approach for three climatically distinct, midlatitude locations. Estimates of monthly total incident PAR from the satellite technique differed from values computed from ground-based pyranometer measurements by less than 6 percent. This UV remote sensing method can be applied to estimate PAR insolation over ocean and land surfaces which are free of ice and snow.

Spatio-temporal colour correction of strongly degraded movies

NASA Astrophysics Data System (ADS)

Islam, A. B. M. Tariqul; Farup, Ivar

2011-01-01

The archives of motion pictures represent an important part of precious cultural heritage. Unfortunately, these cinematography collections are vulnerable to different distortions such as colour fading which is beyond the capability of photochemical restoration process. Spatial colour algorithms-Retinex and ACE provide helpful tool in restoring strongly degraded colour films but, there are some challenges associated with these algorithms. We present an automatic colour correction technique for digital colour restoration of strongly degraded movie material. The method is based upon the existing STRESS algorithm. In order to cope with the problem of highly correlated colour channels, we implemented a preprocessing step in which saturation enhancement is performed in a PCA space. Spatial colour algorithms tend to emphasize all details in the images, including dust and scratches. Surprisingly, we found that the presence of these defects does not affect the behaviour of the colour correction algorithm. Although the STRESS algorithm is already in itself more efficient than traditional spatial colour algorithms, it is still computationally expensive. To speed it up further, we went beyond the spatial domain of the frames and extended the algorithm to the temporal domain. This way, we were able to achieve an 80 percent reduction of the computational time compared to processing every single frame individually. We performed two user experiments and found that the visual quality of the resulting frames was significantly better than with existing methods. Thus, our method outperforms the existing ones in terms of both visual quality and computational efficiency.

Human systems dynamics: Toward a computational model

NASA Astrophysics Data System (ADS)

Eoyang, Glenda H.

2012-09-01

A robust and reliable computational model of complex human systems dynamics could support advancements in theory and practice for social systems at all levels, from intrapersonal experience to global politics and economics. Models of human interactions have evolved from traditional, Newtonian systems assumptions, which served a variety of practical and theoretical needs of the past. Another class of models has been inspired and informed by models and methods from nonlinear dynamics, chaos, and complexity science. None of the existing models, however, is able to represent the open, high dimension, and nonlinear self-organizing dynamics of social systems. An effective model will represent interactions at multiple levels to generate emergent patterns of social and political life of individuals and groups. Existing models and modeling methods are considered and assessed against characteristic pattern-forming processes in observed and experienced phenomena of human systems. A conceptual model, CDE Model, based on the conditions for self-organizing in human systems, is explored as an alternative to existing models and methods. While the new model overcomes the limitations of previous models, it also provides an explanatory base and foundation for prospective analysis to inform real-time meaning making and action taking in response to complex conditions in the real world. An invitation is extended to readers to engage in developing a computational model that incorporates the assumptions, meta-variables, and relationships of this open, high dimension, and nonlinear conceptual model of the complex dynamics of human systems.

In Situ Methods, Infrastructures, and Applications on High Performance Computing Platforms, a State-of-the-art (STAR) Report

DOE PAGES

Bethel, EW; Bauer, A; Abbasi, H; ...

2016-06-10

The considerable interest in the high performance computing (HPC) community regarding analyzing and visualization data without first writing to disk, i.e., in situ processing, is due to several factors. First is an I/O cost savings, where data is analyzed /visualized while being generated, without first storing to a filesystem. Second is the potential for increased accuracy, where fine temporal sampling of transient analysis might expose some complex behavior missed in coarse temporal sampling. Third is the ability to use all available resources, CPU’s and accelerators, in the computation of analysis products. This STAR paper brings together researchers, developers and practitionersmore » using in situ methods in extreme-scale HPC with the goal to present existing methods, infrastructures, and a range of computational science and engineering applications using in situ analysis and visualization.« less

All-Particle Multiscale Computation of Hypersonic Rarefied Flow

NASA Astrophysics Data System (ADS)

Jun, E.; Burt, J. M.; Boyd, I. D.

2011-05-01

This study examines a new hybrid particle scheme used as an alternative means of multiscale flow simulation. The hybrid particle scheme employs the direct simulation Monte Carlo (DSMC) method in rarefied flow regions and the low diffusion (LD) particle method in continuum flow regions. The numerical procedures of the low diffusion particle method are implemented within an existing DSMC algorithm. The performance of the LD-DSMC approach is assessed by studying Mach 10 nitrogen flow over a sphere with a global Knudsen number of 0.002. The hybrid scheme results show good overall agreement with results from standard DSMC and CFD computation. Subcell procedures are utilized to improve computational efficiency and reduce sensitivity to DSMC cell size in the hybrid scheme. This makes it possible to perform the LD-DSMC simulation on a much coarser mesh that leads to a significant reduction in computation time.

Identification of natural images and computer-generated graphics based on statistical and textural features.

PubMed

Peng, Fei; Li, Jiao-ting; Long, Min

2015-03-01

To discriminate the acquisition pipelines of digital images, a novel scheme for the identification of natural images and computer-generated graphics is proposed based on statistical and textural features. First, the differences between them are investigated from the view of statistics and texture, and 31 dimensions of feature are acquired for identification. Then, LIBSVM is used for the classification. Finally, the experimental results are presented. The results show that it can achieve an identification accuracy of 97.89% for computer-generated graphics, and an identification accuracy of 97.75% for natural images. The analyses also demonstrate the proposed method has excellent performance, compared with some existing methods based only on statistical features or other features. The method has a great potential to be implemented for the identification of natural images and computer-generated graphics. © 2014 American Academy of Forensic Sciences.

Coarse-grained computation for particle coagulation and sintering processes by linking Quadrature Method of Moments with Monte-Carlo

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

Zou Yu, E-mail: yzou@Princeton.ED; Kavousanakis, Michail E., E-mail: mkavousa@Princeton.ED; Kevrekidis, Ioannis G., E-mail: yannis@Princeton.ED

2010-07-20

The study of particle coagulation and sintering processes is important in a variety of research studies ranging from cell fusion and dust motion to aerosol formation applications. These processes are traditionally simulated using either Monte-Carlo methods or integro-differential equations for particle number density functions. In this paper, we present a computational technique for cases where we believe that accurate closed evolution equations for a finite number of moments of the density function exist in principle, but are not explicitly available. The so-called equation-free computational framework is then employed to numerically obtain the solution of these unavailable closed moment equations bymore » exploiting (through intelligent design of computational experiments) the corresponding fine-scale (here, Monte-Carlo) simulation. We illustrate the use of this method by accelerating the computation of evolving moments of uni- and bivariate particle coagulation and sintering through short simulation bursts of a constant-number Monte-Carlo scheme.« less

Delamination detection using methods of computational intelligence

NASA Astrophysics Data System (ADS)

Ihesiulor, Obinna K.; Shankar, Krishna; Zhang, Zhifang; Ray, Tapabrata

2012-11-01

Abstract Reliable delamination prediction scheme is indispensable in order to prevent potential risks of catastrophic failures in composite structures. The existence of delaminations changes the vibration characteristics of composite laminates and hence such indicators can be used to quantify the health characteristics of laminates. An approach for online health monitoring of in-service composite laminates is presented in this paper that relies on methods based on computational intelligence. Typical changes in the observed vibration characteristics (i.e. change in natural frequencies) are considered as inputs to identify the existence, location and magnitude of delaminations. The performance of the proposed approach is demonstrated using numerical models of composite laminates. Since this identification problem essentially involves the solution of an optimization problem, the use of finite element (FE) methods as the underlying tool for analysis turns out to be computationally expensive. A surrogate assisted optimization approach is hence introduced to contain the computational time within affordable limits. An artificial neural network (ANN) model with Bayesian regularization is used as the underlying approximation scheme while an improved rate of convergence is achieved using a memetic algorithm. However, building of ANN surrogate models usually requires large training datasets. K-means clustering is effectively employed to reduce the size of datasets. ANN is also used via inverse modeling to determine the position, size and location of delaminations using changes in measured natural frequencies. The results clearly highlight the efficiency and the robustness of the approach.

TRANSAT-- method for detecting the conserved helices of functional RNA structures, including transient, pseudo-knotted and alternative structures.

PubMed

Wiebe, Nicholas J P; Meyer, Irmtraud M

2010-06-24

The prediction of functional RNA structures has attracted increased interest, as it allows us to study the potential functional roles of many genes. RNA structure prediction methods, however, assume that there is a unique functional RNA structure and also do not predict functional features required for in vivo folding. In order to understand how functional RNA structures form in vivo, we require sophisticated experiments or reliable prediction methods. So far, there exist only a few, experimentally validated transient RNA structures. On the computational side, there exist several computer programs which aim to predict the co-transcriptional folding pathway in vivo, but these make a range of simplifying assumptions and do not capture all features known to influence RNA folding in vivo. We want to investigate if evolutionarily related RNA genes fold in a similar way in vivo. To this end, we have developed a new computational method, Transat, which detects conserved helices of high statistical significance. We introduce the method, present a comprehensive performance evaluation and show that Transat is able to predict the structural features of known reference structures including pseudo-knotted ones as well as those of known alternative structural configurations. Transat can also identify unstructured sub-sequences bound by other molecules and provides evidence for new helices which may define folding pathways, supporting the notion that homologous RNA sequence not only assume a similar reference RNA structure, but also fold similarly. Finally, we show that the structural features predicted by Transat differ from those assuming thermodynamic equilibrium. Unlike the existing methods for predicting folding pathways, our method works in a comparative way. This has the disadvantage of not being able to predict features as function of time, but has the considerable advantage of highlighting conserved features and of not requiring a detailed knowledge of the cellular environment.

A new method for enhancer prediction based on deep belief network.

PubMed

Bu, Hongda; Gan, Yanglan; Wang, Yang; Zhou, Shuigeng; Guan, Jihong

2017-10-16

Studies have shown that enhancers are significant regulatory elements to play crucial roles in gene expression regulation. Since enhancers are unrelated to the orientation and distance to their target genes, it is a challenging mission for scholars and researchers to accurately predicting distal enhancers. In the past years, with the high-throughout ChiP-seq technologies development, several computational techniques emerge to predict enhancers using epigenetic or genomic features. Nevertheless, the inconsistency of computational models across different cell-lines and the unsatisfactory prediction performance call for further research in this area. Here, we propose a new Deep Belief Network (DBN) based computational method for enhancer prediction, which is called EnhancerDBN. This method combines diverse features, composed of DNA sequence compositional features, DNA methylation and histone modifications. Our computational results indicate that 1) EnhancerDBN outperforms 13 existing methods in prediction, and 2) GC content and DNA methylation can serve as relevant features for enhancer prediction. Deep learning is effective in boosting the performance of enhancer prediction.

LOCAL ORTHOGONAL CUTTING METHOD FOR COMPUTING MEDIAL CURVES AND ITS BIOMEDICAL APPLICATIONS

PubMed Central

Einstein, Daniel R.; Dyedov, Vladimir

2010-01-01

Medial curves have a wide range of applications in geometric modeling and analysis (such as shape matching) and biomedical engineering (such as morphometry and computer assisted surgery). The computation of medial curves poses significant challenges, both in terms of theoretical analysis and practical efficiency and reliability. In this paper, we propose a definition and analysis of medial curves and also describe an efficient and robust method called local orthogonal cutting (LOC) for computing medial curves. Our approach is based on three key concepts: a local orthogonal decomposition of objects into substructures, a differential geometry concept called the interior center of curvature (ICC), and integrated stability and consistency tests. These concepts lend themselves to robust numerical techniques and result in an algorithm that is efficient and noise resistant. We illustrate the effectiveness and robustness of our approach with some highly complex, large-scale, noisy biomedical geometries derived from medical images, including lung airways and blood vessels. We also present comparisons of our method with some existing methods. PMID:20628546

Computation of the phase response curve: a direct numerical approach.

PubMed

Govaerts, W; Sautois, B

2006-04-01

Neurons are often modeled by dynamical systems--parameterized systems of differential equations. A typical behavioral pattern of neurons is periodic spiking; this corresponds to the presence of stable limit cycles in the dynamical systems model. The phase resetting and phase response curves (PRCs) describe the reaction of the spiking neuron to an input pulse at each point of the cycle. We develop a new method for computing these curves as a by-product of the solution of the boundary value problem for the stable limit cycle. The method is mathematically equivalent to the adjoint method, but our implementation is computationally much faster and more robust than any existing method. In fact, it can compute PRCs even where the limit cycle can hardly be found by time integration, for example, because it is close to another stable limit cycle. In addition, we obtain the discretized phase response curve in a form that is ideally suited for most applications. We present several examples and provide the implementation in a freely available Matlab code.

An efficient graph theory based method to identify every minimal reaction set in a metabolic network

PubMed Central

2014-01-01

Background Development of cells with minimal metabolic functionality is gaining importance due to their efficiency in producing chemicals and fuels. Existing computational methods to identify minimal reaction sets in metabolic networks are computationally expensive. Further, they identify only one of the several possible minimal reaction sets. Results In this paper, we propose an efficient graph theory based recursive optimization approach to identify all minimal reaction sets. Graph theoretical insights offer systematic methods to not only reduce the number of variables in math programming and increase its computational efficiency, but also provide efficient ways to find multiple optimal solutions. The efficacy of the proposed approach is demonstrated using case studies from Escherichia coli and Saccharomyces cerevisiae. In case study 1, the proposed method identified three minimal reaction sets each containing 38 reactions in Escherichia coli central metabolic network with 77 reactions. Analysis of these three minimal reaction sets revealed that one of them is more suitable for developing minimal metabolism cell compared to other two due to practically achievable internal flux distribution. In case study 2, the proposed method identified 256 minimal reaction sets from the Saccharomyces cerevisiae genome scale metabolic network with 620 reactions. The proposed method required only 4.5 hours to identify all the 256 minimal reaction sets and has shown a significant reduction (approximately 80%) in the solution time when compared to the existing methods for finding minimal reaction set. Conclusions Identification of all minimal reactions sets in metabolic networks is essential since different minimal reaction sets have different properties that effect the bioprocess development. The proposed method correctly identified all minimal reaction sets in a both the case studies. The proposed method is computationally efficient compared to other methods for finding minimal reaction sets and useful to employ with genome-scale metabolic networks. PMID:24594118

Computation of Relative Magnetic Helicity in Spherical Coordinates

NASA Astrophysics Data System (ADS)

Moraitis, Kostas; Pariat, Étienne; Savcheva, Antonia; Valori, Gherardo

2018-06-01

Magnetic helicity is a quantity of great importance in solar studies because it is conserved in ideal magnetohydrodynamics. While many methods for computing magnetic helicity in Cartesian finite volumes exist, in spherical coordinates, the natural coordinate system for solar applications, helicity is only treated approximately. We present here a method for properly computing the relative magnetic helicity in spherical geometry. The volumes considered are finite, of shell or wedge shape, and the three-dimensional magnetic field is considered to be fully known throughout the studied domain. Testing of the method with well-known, semi-analytic, force-free magnetic-field models reveals that it has excellent accuracy. Further application to a set of nonlinear force-free reconstructions of the magnetic field of solar active regions and comparison with an approximate method used in the past indicates that the proposed method can be significantly more accurate, thus making our method a promising tool in helicity studies that employ spherical geometry. Additionally, we determine and discuss the applicability range of the approximate method.

XDesign: an open-source software package for designing X-ray imaging phantoms and experiments.

PubMed

Ching, Daniel J; Gürsoy, Dogˇa

2017-03-01

The development of new methods or utilization of current X-ray computed tomography methods is impeded by the substantial amount of expertise required to design an X-ray computed tomography experiment from beginning to end. In an attempt to make material models, data acquisition schemes and reconstruction algorithms more accessible to researchers lacking expertise in some of these areas, a software package is described here which can generate complex simulated phantoms and quantitatively evaluate new or existing data acquisition schemes and image reconstruction algorithms for targeted applications.

XDesign: An open-source software package for designing X-ray imaging phantoms and experiments

DOE PAGES

Ching, Daniel J.; Gursoy, Dogˇa

2017-02-21

Here, the development of new methods or utilization of current X-ray computed tomography methods is impeded by the substantial amount of expertise required to design an X-ray computed tomography experiment from beginning to end. In an attempt to make material models, data acquisition schemes and reconstruction algorithms more accessible to researchers lacking expertise in some of these areas, a software package is described here which can generate complex simulated phantoms and quantitatively evaluate new or existing data acquisition schemes and image reconstruction algorithms for targeted applications.

Computational chemistry in 25 years

NASA Astrophysics Data System (ADS)

Abagyan, Ruben

2012-01-01

Here we are making some predictions based on three methods: a straightforward extrapolations of the existing trends; a self-fulfilling prophecy; and picking some current grievances and predicting that they will be addressed or solved. We predict the growth of multicore computing and dramatic growth of data, as well as the improvements in force fields and sampling methods. We also predict that effects of therapeutic and environmental molecules on human body, as well as complex natural chemical signalling will be understood in terms of three dimensional models of their binding to specific pockets.

Assessment of nonequilibrium radiation computation methods for hypersonic flows

NASA Technical Reports Server (NTRS)

Sharma, Surendra

1993-01-01

The present understanding of shock-layer radiation in the low density regime, as appropriate to hypersonic vehicles, is surveyed. Based on the relative importance of electron excitation and radiation transport, the hypersonic flows are divided into three groups: weakly ionized, moderately ionized, and highly ionized flows. In the light of this division, the existing laboratory and flight data are scrutinized. Finally, an assessment of the nonequilibrium radiation computation methods for the three regimes in hypersonic flows is presented. The assessment is conducted by comparing experimental data against the values predicted by the physical model.

Structure identification methods for atomistic simulations of crystalline materials

DOE PAGES

Stukowski, Alexander

2012-05-28

Here, we discuss existing and new computational analysis techniques to classify local atomic arrangements in large-scale atomistic computer simulations of crystalline solids. This article includes a performance comparison of typical analysis algorithms such as common neighbor analysis (CNA), centrosymmetry analysis, bond angle analysis, bond order analysis and Voronoi analysis. In addition we propose a simple extension to the CNA method that makes it suitable for multi-phase systems. Finally, we introduce a new structure identification algorithm, the neighbor distance analysis, which is designed to identify atomic structure units in grain boundaries.

Estimating flood hydrographs and volumes for Alabama streams

USGS Publications Warehouse

Olin, D.A.; Atkins, J.B.

1988-01-01

The hydraulic design of highway drainage structures involves an evaluation of the effect of the proposed highway structures on lives, property, and stream stability. Flood hydrographs and associated flood volumes are useful tools in evaluating these effects. For design purposes, the Alabama Highway Department needs information on flood hydrographs and volumes associated with flood peaks of specific recurrence intervals (design floods) at proposed or existing bridge crossings. This report will provide the engineer with a method to estimate flood hydrographs, volumes, and lagtimes for rural and urban streams in Alabama with drainage areas less than 500 sq mi. Existing computer programs and methods to estimate flood hydrographs and volumes for ungaged streams have been developed in Georgia. These computer programs and methods were applied to streams in Alabama. The report gives detailed instructions on how to estimate flood hydrographs for ungaged rural or urban streams in Alabama with drainage areas less than 500 sq mi, without significant in-channel storage or regulations. (USGS)

Image steganalysis using Artificial Bee Colony algorithm

NASA Astrophysics Data System (ADS)

Sajedi, Hedieh

2017-09-01

Steganography is the science of secure communication where the presence of the communication cannot be detected while steganalysis is the art of discovering the existence of the secret communication. Processing a huge amount of information takes extensive execution time and computational sources most of the time. As a result, it is needed to employ a phase of preprocessing, which can moderate the execution time and computational sources. In this paper, we propose a new feature-based blind steganalysis method for detecting stego images from the cover (clean) images with JPEG format. In this regard, we present a feature selection technique based on an improved Artificial Bee Colony (ABC). ABC algorithm is inspired by honeybees' social behaviour in their search for perfect food sources. In the proposed method, classifier performance and the dimension of the selected feature vector depend on using wrapper-based methods. The experiments are performed using two large data-sets of JPEG images. Experimental results demonstrate the effectiveness of the proposed steganalysis technique compared to the other existing techniques.

Stability basin estimates fall risk from observed kinematics, demonstrated on the Sit-to-Stand task.

PubMed

Shia, Victor; Moore, Talia Yuki; Holmes, Patrick; Bajcsy, Ruzena; Vasudevan, Ram

2018-04-27

The ability to quantitatively measure stability is essential to ensuring the safety of locomoting systems. While the response to perturbation directly reflects the stability of a motion, this experimental method puts human subjects at risk. Unfortunately, existing indirect methods for estimating stability from unperturbed motion have been shown to have limited predictive power. This paper leverages recent advances in dynamical systems theory to accurately estimate the stability of human motion without requiring perturbation. This approach relies on kinematic observations of a nominal Sit-to-Stand motion to construct an individual-specific dynamic model, input bounds, and feedback control that are then used to compute the set of perturbations from which the model can recover. This set, referred to as the stability basin, was computed for 14 individuals, and was able to successfully differentiate between less and more stable Sit-to-Stand strategies for each individual with greater accuracy than existing methods. Copyright © 2018 Elsevier Ltd. All rights reserved.

Fast multigrid-based computation of the induced electric field for transcranial magnetic stimulation

NASA Astrophysics Data System (ADS)

Laakso, Ilkka; Hirata, Akimasa

2012-12-01

In transcranial magnetic stimulation (TMS), the distribution of the induced electric field, and the affected brain areas, depends on the position of the stimulation coil and the individual geometry of the head and brain. The distribution of the induced electric field in realistic anatomies can be modelled using computational methods. However, existing computational methods for accurately determining the induced electric field in realistic anatomical models have suffered from long computation times, typically in the range of tens of minutes or longer. This paper presents a matrix-free implementation of the finite-element method with a geometric multigrid method that can potentially reduce the computation time to several seconds or less even when using an ordinary computer. The performance of the method is studied by computing the induced electric field in two anatomically realistic models. An idealized two-loop coil is used as the stimulating coil. Multiple computational grid resolutions ranging from 2 to 0.25 mm are used. The results show that, for macroscopic modelling of the electric field in an anatomically realistic model, computational grid resolutions of 1 mm or 2 mm appear to provide good numerical accuracy compared to higher resolutions. The multigrid iteration typically converges in less than ten iterations independent of the grid resolution. Even without parallelization, each iteration takes about 1.0 s or 0.1 s for the 1 and 2 mm resolutions, respectively. This suggests that calculating the electric field with sufficient accuracy in real time is feasible.

A new collage steganographic algorithm using cartoon design

NASA Astrophysics Data System (ADS)

Yi, Shuang; Zhou, Yicong; Pun, Chi-Man; Chen, C. L. Philip

2014-02-01

Existing collage steganographic methods suffer from low payload of embedding messages. To improve the payload while providing a high level of security protection to messages, this paper introduces a new collage steganographic algorithm using cartoon design. It embeds messages into the least significant bits (LSBs) of color cartoon objects, applies different permutations to each object, and adds objects to a cartoon cover image to obtain the stego image. Computer simulations and comparisons demonstrate that the proposed algorithm shows significantly higher capacity of embedding messages compared with existing collage steganographic methods.

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

NASA Astrophysics Data System (ADS)

Qiu, Shi; Liu, Kuang; Eliasson, Veronica

2016-10-01

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

Efficiently computing exact geodesic loops within finite steps.

PubMed

Xin, Shi-Qing; He, Ying; Fu, Chi-Wing

2012-06-01

Closed geodesics, or geodesic loops, are crucial to the study of differential topology and differential geometry. Although the existence and properties of closed geodesics on smooth surfaces have been widely studied in mathematics community, relatively little progress has been made on how to compute them on polygonal surfaces. Most existing algorithms simply consider the mesh as a graph and so the resultant loops are restricted only on mesh edges, which are far from the actual geodesics. This paper is the first to prove the existence and uniqueness of geodesic loop restricted on a closed face sequence; it contributes also with an efficient algorithm to iteratively evolve an initial closed path on a given mesh into an exact geodesic loop within finite steps. Our proposed algorithm takes only an O(k) space complexity and an O(mk) time complexity (experimentally), where m is the number of vertices in the region bounded by the initial loop and the resultant geodesic loop, and k is the average number of edges in the edge sequences that the evolving loop passes through. In contrast to the existing geodesic curvature flow methods which compute an approximate geodesic loop within a predefined threshold, our method is exact and can apply directly to triangular meshes without needing to solve any differential equation with a numerical solver; it can run at interactive speed, e.g., in the order of milliseconds, for a mesh with around 50K vertices, and hence, significantly outperforms existing algorithms. Actually, our algorithm could run at interactive speed even for larger meshes. Besides the complexity of the input mesh, the geometric shape could also affect the number of evolving steps, i.e., the performance. We motivate our algorithm with an interactive shape segmentation example shown later in the paper.

Integrative Genomics and Computational Systems Medicine

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

McDermott, Jason E.; Huang, Yufei; Zhang, Bing

The exponential growth in generation of large amounts of genomic data from biological samples has driven the emerging field of systems medicine. This field is promising because it improves our understanding of disease processes at the systems level. However, the field is still in its young stage. There exists a great need for novel computational methods and approaches to effectively utilize and integrate various omics data.

Panel cutting method: new approach to generate panels on a hull in Rankine source potential approximation

NASA Astrophysics Data System (ADS)

Choi, Hee-Jong; Chun, Ho-Hwan; Park, Il-Ryong; Kim, Jin

2011-12-01

In the present study, a new hull panel generation algorithm, namely panel cutting method, was developed to predict flow phenomena around a ship using the Rankine source potential based panel method, where the iterative method was used to satisfy the nonlinear free surface condition and the trim and sinkage of the ship was taken into account. Numerical computations were performed to investigate the validity of the proposed hull panel generation algorithm for Series 60 (CB=0.60) hull and KRISO container ship (KCS), a container ship designed by Maritime and Ocean Engineering Research Institute (MOERI). The computational results were validated by comparing with the existing experimental data.

Gaussian Multiscale Aggregation Applied to Segmentation in Hand Biometrics

PubMed Central

de Santos Sierra, Alberto; Ávila, Carmen Sánchez; Casanova, Javier Guerra; del Pozo, Gonzalo Bailador

2011-01-01

This paper presents an image segmentation algorithm based on Gaussian multiscale aggregation oriented to hand biometric applications. The method is able to isolate the hand from a wide variety of background textures such as carpets, fabric, glass, grass, soil or stones. The evaluation was carried out by using a publicly available synthetic database with 408,000 hand images in different backgrounds, comparing the performance in terms of accuracy and computational cost to two competitive segmentation methods existing in literature, namely Lossy Data Compression (LDC) and Normalized Cuts (NCuts). The results highlight that the proposed method outperforms current competitive segmentation methods with regard to computational cost, time performance, accuracy and memory usage. PMID:22247658

Gaussian multiscale aggregation applied to segmentation in hand biometrics.

PubMed

de Santos Sierra, Alberto; Avila, Carmen Sánchez; Casanova, Javier Guerra; del Pozo, Gonzalo Bailador

2011-01-01

This paper presents an image segmentation algorithm based on Gaussian multiscale aggregation oriented to hand biometric applications. The method is able to isolate the hand from a wide variety of background textures such as carpets, fabric, glass, grass, soil or stones. The evaluation was carried out by using a publicly available synthetic database with 408,000 hand images in different backgrounds, comparing the performance in terms of accuracy and computational cost to two competitive segmentation methods existing in literature, namely Lossy Data Compression (LDC) and Normalized Cuts (NCuts). The results highlight that the proposed method outperforms current competitive segmentation methods with regard to computational cost, time performance, accuracy and memory usage.

Raster Data Partitioning for Supporting Distributed GIS Processing

NASA Astrophysics Data System (ADS)

Nguyen Thai, B.; Olasz, A.

2015-08-01

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

A Community Publication and Dissemination System for Hydrology Education Materials

NASA Astrophysics Data System (ADS)

Ruddell, B. L.

2015-12-01

Hosted by CUAHSI and the Science Education Resource Center (SERC), federated by the National Science Digital Library (NSDL), and allied with the Water Data Center (WDC), Hydrologic Information System (HIS), and HydroShare projects, a simple cyberinfrastructure has been launched for the publication and dissemination of data and model driven university hydrology education materials. This lightweight system's metadata describes learning content as a data-driven module with defined data inputs and outputs. This structure allows a user to mix and match modules to create sequences of content that teach both hydrology and computer learning outcomes. Importantly, this modular infrastructure allows an instructor to substitute a module based on updated computer methods for one based on outdated computer methods, hopefully solving the problem of rapid obsolescence that has hampered previous community efforts. The prototype system is now available from CUAHSI and SERC, with some example content. The system is designed to catalog, link to, make visible, and make accessible the existing and future contributions of the community; this system does not create content. Submissions from hydrology educators are eagerly solicited, especially for existing content.

On A Nonlinear Generalization of Sparse Coding and Dictionary Learning.

PubMed

Xie, Yuchen; Ho, Jeffrey; Vemuri, Baba

2013-01-01

Existing dictionary learning algorithms are based on the assumption that the data are vectors in an Euclidean vector space ℝ d , and the dictionary is learned from the training data using the vector space structure of ℝ d and its Euclidean L 2 -metric. However, in many applications, features and data often originated from a Riemannian manifold that does not support a global linear (vector space) structure. Furthermore, the extrinsic viewpoint of existing dictionary learning algorithms becomes inappropriate for modeling and incorporating the intrinsic geometry of the manifold that is potentially important and critical to the application. This paper proposes a novel framework for sparse coding and dictionary learning for data on a Riemannian manifold, and it shows that the existing sparse coding and dictionary learning methods can be considered as special (Euclidean) cases of the more general framework proposed here. We show that both the dictionary and sparse coding can be effectively computed for several important classes of Riemannian manifolds, and we validate the proposed method using two well-known classification problems in computer vision and medical imaging analysis.

On A Nonlinear Generalization of Sparse Coding and Dictionary Learning

PubMed Central

Xie, Yuchen; Ho, Jeffrey; Vemuri, Baba

2013-01-01

Existing dictionary learning algorithms are based on the assumption that the data are vectors in an Euclidean vector space ℝd, and the dictionary is learned from the training data using the vector space structure of ℝd and its Euclidean L2-metric. However, in many applications, features and data often originated from a Riemannian manifold that does not support a global linear (vector space) structure. Furthermore, the extrinsic viewpoint of existing dictionary learning algorithms becomes inappropriate for modeling and incorporating the intrinsic geometry of the manifold that is potentially important and critical to the application. This paper proposes a novel framework for sparse coding and dictionary learning for data on a Riemannian manifold, and it shows that the existing sparse coding and dictionary learning methods can be considered as special (Euclidean) cases of the more general framework proposed here. We show that both the dictionary and sparse coding can be effectively computed for several important classes of Riemannian manifolds, and we validate the proposed method using two well-known classification problems in computer vision and medical imaging analysis. PMID:24129583

Transport properties of N2 gas at cryogenic temperatures. [computation of viscosity and thermal conductivity

NASA Technical Reports Server (NTRS)

Pearson, W. E.

1974-01-01

The viscosity and thermal conductivity of nitrogen gas for the temperature range 5 K - 135 K have been computed from the second Chapman-Enskog approximation. Quantum effects, which become appreciable at the lower temperatures, are included by utilizing collision integrals based on quantum theory. A Lennard-Jones (12-6) potential was assumed. The computations yield viscosities about 20 percent lower than those predicted for the high end of this temperature range by the method of corresponding states, but the agreement is excellent when the computed values are compared with existing experimental data.

Numerical prediction of a draft tube flow taking into account uncertain inlet conditions

NASA Astrophysics Data System (ADS)

Brugiere, O.; Balarac, G.; Corre, C.; Metais, O.; Flores, E.; Pleroy

2012-11-01

The swirling turbulent flow in a hydroturbine draft tube is computed with a non-intrusive uncertainty quantification (UQ) method coupled to Reynolds-Averaged Navier-Stokes (RANS) modelling in order to take into account in the numerical prediction the physical uncertainties existing on the inlet flow conditions. The proposed approach yields not only mean velocity fields to be compared with measured profiles, as is customary in Computational Fluid Dynamics (CFD) practice, but also variance of these quantities from which error bars can be deduced on the computed profiles, thus making more significant the comparison between experiment and computation.

Robust scalable stabilisability conditions for large-scale heterogeneous multi-agent systems with uncertain nonlinear interactions: towards a distributed computing architecture

NASA Astrophysics Data System (ADS)

Manfredi, Sabato

2016-06-01

Large-scale dynamic systems are becoming highly pervasive in their occurrence with applications ranging from system biology, environment monitoring, sensor networks, and power systems. They are characterised by high dimensionality, complexity, and uncertainty in the node dynamic/interactions that require more and more computational demanding methods for their analysis and control design, as well as the network size and node system/interaction complexity increase. Therefore, it is a challenging problem to find scalable computational method for distributed control design of large-scale networks. In this paper, we investigate the robust distributed stabilisation problem of large-scale nonlinear multi-agent systems (briefly MASs) composed of non-identical (heterogeneous) linear dynamical systems coupled by uncertain nonlinear time-varying interconnections. By employing Lyapunov stability theory and linear matrix inequality (LMI) technique, new conditions are given for the distributed control design of large-scale MASs that can be easily solved by the toolbox of MATLAB. The stabilisability of each node dynamic is a sufficient assumption to design a global stabilising distributed control. The proposed approach improves some of the existing LMI-based results on MAS by both overcoming their computational limits and extending the applicative scenario to large-scale nonlinear heterogeneous MASs. Additionally, the proposed LMI conditions are further reduced in terms of computational requirement in the case of weakly heterogeneous MASs, which is a common scenario in real application where the network nodes and links are affected by parameter uncertainties. One of the main advantages of the proposed approach is to allow to move from a centralised towards a distributed computing architecture so that the expensive computation workload spent to solve LMIs may be shared among processors located at the networked nodes, thus increasing the scalability of the approach than the network size. Finally, a numerical example shows the applicability of the proposed method and its advantage in terms of computational complexity when compared with the existing approaches.

Validity and extension of the SCS-CN method for computing infiltration and rainfall-excess rates

NASA Astrophysics Data System (ADS)

Mishra, Surendra Kumar; Singh, Vijay P.

2004-12-01

A criterion is developed for determining the validity of the Soil Conservation Service curve number (SCS-CN) method. According to this criterion, the existing SCS-CN method is found to be applicable when the potential maximum retention, S, is less than or equal to twice the total rainfall amount. The criterion is tested using published data of two watersheds. Separating the steady infiltration from capillary infiltration, the method is extended for predicting infiltration and rainfall-excess rates. The extended SCS-CN method is tested using 55 sets of laboratory infiltration data on soils varying from Plainfield sand to Yolo light clay, and the computed and observed infiltration and rainfall-excess rates are found to be in good agreement.

ENFIN--A European network for integrative systems biology.

PubMed

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

2009-11-01

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

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.

Machine learning methods in chemoinformatics

PubMed Central

Mitchell, John B O

2014-01-01

Machine learning algorithms are generally developed in computer science or adjacent disciplines and find their way into chemical modeling by a process of diffusion. Though particular machine learning methods are popular in chemoinformatics and quantitative structure–activity relationships (QSAR), many others exist in the technical literature. This discussion is methods-based and focused on some algorithms that chemoinformatics researchers frequently use. It makes no claim to be exhaustive. We concentrate on methods for supervised learning, predicting the unknown property values of a test set of instances, usually molecules, based on the known values for a training set. Particularly relevant approaches include Artificial Neural Networks, Random Forest, Support Vector Machine, k-Nearest Neighbors and naïve Bayes classifiers. WIREs Comput Mol Sci 2014, 4:468–481. How to cite this article: WIREs Comput Mol Sci 2014, 4:468–481. doi:10.1002/wcms.1183 PMID:25285160

Web mining in soft computing framework: relevance, state of the art and future directions.

PubMed

Pal, S K; Talwar, V; Mitra, P

2002-01-01

The paper summarizes the different characteristics of Web data, the basic components of Web mining and its different types, and the current state of the art. The reason for considering Web mining, a separate field from data mining, is explained. The limitations of some of the existing Web mining methods and tools are enunciated, and the significance of soft computing (comprising fuzzy logic (FL), artificial neural networks (ANNs), genetic algorithms (GAs), and rough sets (RSs) are highlighted. A survey of the existing literature on "soft Web mining" is provided along with the commercially available systems. The prospective areas of Web mining where the application of soft computing needs immediate attention are outlined with justification. Scope for future research in developing "soft Web mining" systems is explained. An extensive bibliography is also provided.

Multi-processing on supercomputers for computational aerodynamics

NASA Technical Reports Server (NTRS)

Yarrow, Maurice; Mehta, Unmeel B.

1990-01-01

The MIMD concept is applied, through multitasking, with relatively minor modifications to an existing code for a single processor. This approach maps the available memory to multiple processors, exploiting the C-FORTRAN-Unix interface. An existing single processor algorithm is mapped without the need for developing a new algorithm. The procedure of designing a code utilizing this approach is automated with the Unix stream editor. A Multiple Processor Multiple Grid (MPMG) code is developed as a demonstration of this approach. This code solves the three-dimensional, Reynolds-averaged, thin-layer and slender-layer Navier-Stokes equations with an implicit, approximately factored and diagonalized method. This solver is applied to a generic, oblique-wing aircraft problem on a four-processor computer using one process for data management and nonparallel computations and three processes for pseudotime advance on three different grid systems.

HGML: a hypertext guideline markup language.

PubMed Central

Hagerty, C. G.; Pickens, D.; Kulikowski, C.; Sonnenberg, F.

2000-01-01

Existing text-based clinical practice guidelines can be difficult to put into practice. While a growing number of such documents have gained acceptance in the medical community and contain a wealth of valuable information, the time required to digest them is substantial. Yet the expressive power, subtlety and flexibility of natural language pose challenges when designing computer tools that will help in their application. At the same time, formal computer languages typically lack such expressiveness and the effort required to translate existing documents into these languages may be costly. We propose a method based on the mark-up concept for converting text-based clinical guidelines into a machine-operable form. This allows existing guidelines to be manipulated by machine, and viewed in different formats at various levels of detail according to the needs of the practitioner, while preserving their originally published form. PMID:11079898

Anatomical medial surfaces with efficient resolution of branches singularities.

PubMed

Gil, Debora; Vera, Sergio; Borràs, Agnés; Andaluz, Albert; González Ballester, Miguel A

2017-01-01

Medial surfaces are powerful tools for shape description, but their use has been limited due to the sensibility of existing methods to branching artifacts. Medial branching artifacts are associated to perturbations of the object boundary rather than to geometric features. Such instability is a main obstacle for a confident application in shape recognition and description. Medial branches correspond to singularities of the medial surface and, thus, they are problematic for existing morphological and energy-based algorithms. In this paper, we use algebraic geometry concepts in an energy-based approach to compute a medial surface presenting a stable branching topology. We also present an efficient GPU-CPU implementation using standard image processing tools. We show the method computational efficiency and quality on a custom made synthetic database. Finally, we present some results on a medical imaging application for localization of abdominal pathologies. Copyright © 2016 Elsevier B.V. All rights reserved.

Evaluation of approaches for estimating the accuracy of genomic prediction in plant breeding

PubMed Central

2013-01-01

Background In genomic prediction, an important measure of accuracy is the correlation between the predicted and the true breeding values. Direct computation of this quantity for real datasets is not possible, because the true breeding value is unknown. Instead, the correlation between the predicted breeding values and the observed phenotypic values, called predictive ability, is often computed. In order to indirectly estimate predictive accuracy, this latter correlation is usually divided by an estimate of the square root of heritability. In this study we use simulation to evaluate estimates of predictive accuracy for seven methods, four (1 to 4) of which use an estimate of heritability to divide predictive ability computed by cross-validation. Between them the seven methods cover balanced and unbalanced datasets as well as correlated and uncorrelated genotypes. We propose one new indirect method (4) and two direct methods (5 and 6) for estimating predictive accuracy and compare their performances and those of four other existing approaches (three indirect (1 to 3) and one direct (7)) with simulated true predictive accuracy as the benchmark and with each other. Results The size of the estimated genetic variance and hence heritability exerted the strongest influence on the variation in the estimated predictive accuracy. Increasing the number of genotypes considerably increases the time required to compute predictive accuracy by all the seven methods, most notably for the five methods that require cross-validation (Methods 1, 2, 3, 4 and 6). A new method that we propose (Method 5) and an existing method (Method 7) used in animal breeding programs were the fastest and gave the least biased, most precise and stable estimates of predictive accuracy. Of the methods that use cross-validation Methods 4 and 6 were often the best. Conclusions The estimated genetic variance and the number of genotypes had the greatest influence on predictive accuracy. Methods 5 and 7 were the fastest and produced the least biased, the most precise, robust and stable estimates of predictive accuracy. These properties argue for routinely using Methods 5 and 7 to assess predictive accuracy in genomic selection studies. PMID:24314298

Evaluation of approaches for estimating the accuracy of genomic prediction in plant breeding.

PubMed

Ould Estaghvirou, Sidi Boubacar; Ogutu, Joseph O; Schulz-Streeck, Torben; Knaak, Carsten; Ouzunova, Milena; Gordillo, Andres; Piepho, Hans-Peter

2013-12-06

In genomic prediction, an important measure of accuracy is the correlation between the predicted and the true breeding values. Direct computation of this quantity for real datasets is not possible, because the true breeding value is unknown. Instead, the correlation between the predicted breeding values and the observed phenotypic values, called predictive ability, is often computed. In order to indirectly estimate predictive accuracy, this latter correlation is usually divided by an estimate of the square root of heritability. In this study we use simulation to evaluate estimates of predictive accuracy for seven methods, four (1 to 4) of which use an estimate of heritability to divide predictive ability computed by cross-validation. Between them the seven methods cover balanced and unbalanced datasets as well as correlated and uncorrelated genotypes. We propose one new indirect method (4) and two direct methods (5 and 6) for estimating predictive accuracy and compare their performances and those of four other existing approaches (three indirect (1 to 3) and one direct (7)) with simulated true predictive accuracy as the benchmark and with each other. The size of the estimated genetic variance and hence heritability exerted the strongest influence on the variation in the estimated predictive accuracy. Increasing the number of genotypes considerably increases the time required to compute predictive accuracy by all the seven methods, most notably for the five methods that require cross-validation (Methods 1, 2, 3, 4 and 6). A new method that we propose (Method 5) and an existing method (Method 7) used in animal breeding programs were the fastest and gave the least biased, most precise and stable estimates of predictive accuracy. Of the methods that use cross-validation Methods 4 and 6 were often the best. The estimated genetic variance and the number of genotypes had the greatest influence on predictive accuracy. Methods 5 and 7 were the fastest and produced the least biased, the most precise, robust and stable estimates of predictive accuracy. These properties argue for routinely using Methods 5 and 7 to assess predictive accuracy in genomic selection studies.

Progress in Computational Electron-Molecule Collisions

NASA Astrophysics Data System (ADS)

Rescigno, Tn

1997-10-01

The past few years have witnessed tremendous progress in the development of sophisticated ab initio methods for treating collisions of slow electrons with isolated small molecules. Researchers in this area have benefited greatly from advances in computer technology; indeed, the advent of parallel computers has made it possible to carry out calculations at a level of sophistication inconceivable a decade ago. But bigger and faster computers are only part of the picture. Even with today's computers, the practical need to study electron collisions with the kinds of complex molecules and fragments encountered in real-world plasma processing environments is taxing present methods beyond their current capabilities. Since extrapolation of existing methods to handle increasingly larger targets will ultimately fail as it would require computational resources beyond any imagined, continued progress must also be linked to new theoretical developments. Some of the techniques recently introduced to address these problems will be discussed and illustrated with examples of electron-molecule collision calculations we have carried out on some fairly complex target gases encountered in processing plasmas. Electron-molecule scattering continues to pose many formidable theoretical and computational challenges. I will touch on some of the outstanding open questions.

A new family of Polak-Ribiere-Polyak conjugate gradient method with the strong-Wolfe line search

NASA Astrophysics Data System (ADS)

Ghani, Nur Hamizah Abdul; Mamat, Mustafa; Rivaie, Mohd

2017-08-01

Conjugate gradient (CG) method is an important technique in unconstrained optimization, due to its effectiveness and low memory requirements. The focus of this paper is to introduce a new CG method for solving large scale unconstrained optimization. Theoretical proofs show that the new method fulfills sufficient descent condition if strong Wolfe-Powell inexact line search is used. Besides, computational results show that our proposed method outperforms to other existing CG methods.

Charge transfer complex between 2,3-diaminopyridine with chloranilic acid. Synthesis, characterization and DFT, TD-DFT computational studies

NASA Astrophysics Data System (ADS)

Al-Ahmary, Khairia M.; Habeeb, Moustafa M.; Al-Obidan, Areej H.

2018-05-01

New charge transfer complex (CTC) between the electron donor 2,3-diaminopyridine (DAP) with the electron acceptor chloranilic (CLA) acid has been synthesized and characterized experimentally and theoretically using a variety of physicochemical techniques. The experimental work included the use of elemental analysis, UV-vis, IR and 1H NMR studies to characterize the complex. Electronic spectra have been carried out in different hydrogen bonded solvents, methanol (MeOH), acetonitrile (AN) and 1:1 mixture from AN-MeOH. The molecular composition of the complex was identified to be 1:1 from Jobs and molar ratio methods. The stability constant was determined using minimum-maximum absorbances method where it recorded high values confirming the high stability of the formed complex. The solid complex was prepared and characterized by elemental analysis that confirmed its formation in 1:1 stoichiometric ratio. Both IR and NMR studies asserted the existence of proton and charge transfers in the formed complex. For supporting the experimental results, DFT computations were carried out using B3LYP/6-31G(d,p) method to compute the optimized structures of the reactants and complex, their geometrical parameters, reactivity parameters, molecular electrostatic potential map and frontier molecular orbitals. The analysis of DFT results strongly confirmed the high stability of the formed complex based on existing charge transfer beside proton transfer hydrogen bonding concordant with experimental results. The origin of electronic spectra was analyzed using TD-DFT method where the observed λmax are strongly consisted with the computed ones. TD-DFT showed the contributed states for various electronic transitions.

Applications of a General Finite-Difference Method for Calculating Bending Deformations of Solid Plates

NASA Technical Reports Server (NTRS)

Walton, William C., Jr.

1960-01-01

This paper reports the findings of an investigation of a finite - difference method directly applicable to calculating static or simple harmonic flexures of solid plates and potentially useful in other problems of structural analysis. The method, which was proposed in doctoral thesis by John C. Houbolt, is based on linear theory and incorporates the principle of minimum potential energy. Full realization of its advantages requires use of high-speed computing equipment. After a review of Houbolt's method, results of some applications are presented and discussed. The applications consisted of calculations of the natural modes and frequencies of several uniform-thickness cantilever plates and, as a special case of interest, calculations of the modes and frequencies of the uniform free-free beam. Computed frequencies and nodal patterns for the first five or six modes of each plate are compared with existing experiments, and those for one plate are compared with another approximate theory. Beam computations are compared with exact theory. On the basis of the comparisons it is concluded that the method is accurate and general in predicting plate flexures, and additional applications are suggested. An appendix is devoted t o computing procedures which evolved in the progress of the applications and which facilitate use of the method in conjunction with high-speed computing equipment.

A method for calculating a real-gas two-dimensional nozzle contour including the effects of gamma

NASA Technical Reports Server (NTRS)

Johnson, C. B.; Boney, L. R.

1975-01-01

A method for calculating two-dimensional inviscid nozzle contours for a real gas or an ideal gas by the method of characteristics is described. The method consists of a modification of an existing nozzle computer program. The ideal-gas nozzle contour can be calculated for any constant value of gamma. Two methods of calculating the center-line boundary values of the Mach number in the throat region are also presented. The use of these three methods of calculating the center-line Mach number distribution in the throat region can change the distance from the throat to the inflection point by a factor of 2.5. A user's guide is presented for input to the computer program for both the two-dimensional and axisymmetric nozzle contours.

Autocorrelated process control: Geometric Brownian Motion approach versus Box-Jenkins approach

NASA Astrophysics Data System (ADS)

Salleh, R. M.; Zawawi, N. I.; Gan, Z. F.; Nor, M. E.

2018-04-01

Existing of autocorrelation will bring a significant effect on the performance and accuracy of process control if the problem does not handle carefully. When dealing with autocorrelated process, Box-Jenkins method will be preferred because of the popularity. However, the computation of Box-Jenkins method is too complicated and challenging which cause of time-consuming. Therefore, an alternative method which known as Geometric Brownian Motion (GBM) is introduced to monitor the autocorrelated process. One real case of furnace temperature data is conducted to compare the performance of Box-Jenkins and GBM methods in monitoring autocorrelation process. Both methods give the same results in terms of model accuracy and monitoring process control. Yet, GBM is superior compared to Box-Jenkins method due to its simplicity and practically with shorter computational time.

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.

Using Pre-test/Post-test Data To Evaluate the Effectiveness of Computer Aided Instruction (A Study of CAI and Its Use with Developmental Reading Students).

ERIC Educational Resources Information Center

Lansford, Carl E.

As computer aided instruction (CAI) and distance learning become more popular, a model for easily evaluating these teaching methods must be developed, one which will enable replication of the study each year. This paper discusses the results of a study using existing dependent and independent variables to evaluate CAI for developmental reading…

An advanced analysis and modelling the air pollutant concentration temporal dynamics in atmosphere of the industrial cities: Odessa city

NASA Astrophysics Data System (ADS)

Buyadzhi, V. V.; Glushkov, A. V.; Khetselius, O. Yu; Ternovsky, V. B.; Serga, I. N.; Bykowszczenko, N.

2017-10-01

Results of analysis and modelling the air pollutant (dioxide of nitrogen) concentration temporal dynamics in atmosphere of the industrial city Odessa are presented for the first time and based on computing by nonlinear methods of the chaos and dynamical systems theories. A chaotic behaviour is discovered and investigated. To reconstruct the corresponding strange chaotic attractor, the time delay and embedding dimension are computed. The former is determined by the methods of autocorrelation function and average mutual information, and the latter is calculated by means of correlation dimension method and algorithm of false nearest neighbours. It is shown that low-dimensional chaos exists in the nitrogen dioxide concentration time series under investigation. Further, the Lyapunov’s exponents spectrum, Kaplan-Yorke dimension and Kolmogorov entropy are computed.

Overdetermined shooting methods for computing standing water waves with spectral accuracy

NASA Astrophysics Data System (ADS)

Wilkening, Jon; Yu, Jia

2012-01-01

A high-performance shooting algorithm is developed to compute time-periodic solutions of the free-surface Euler equations with spectral accuracy in double and quadruple precision. The method is used to study resonance and its effect on standing water waves. We identify new nucleation mechanisms in which isolated large-amplitude solutions, and closed loops of such solutions, suddenly exist for depths below a critical threshold. We also study degenerate and secondary bifurcations related to Wilton's ripples in the traveling case, and explore the breakdown of self-similarity at the crests of extreme standing waves. In shallow water, we find that standing waves take the form of counter-propagating solitary waves that repeatedly collide quasi-elastically. In deep water with surface tension, we find that standing waves resemble counter-propagating depression waves. We also discuss the existence and non-uniqueness of solutions, and smooth versus erratic dependence of Fourier modes on wave amplitude and fluid depth. In the numerical method, robustness is achieved by posing the problem as an overdetermined nonlinear system and using either adjoint-based minimization techniques or a quadratically convergent trust-region method to minimize the objective function. Efficiency is achieved in the trust-region approach by parallelizing the Jacobian computation, so the setup cost of computing the Dirichlet-to-Neumann operator in the variational equation is not repeated for each column. Updates of the Jacobian are also delayed until the previous Jacobian ceases to be useful. Accuracy is maintained using spectral collocation with optional mesh refinement in space, a high-order Runge-Kutta or spectral deferred correction method in time and quadruple precision for improved navigation of delicate regions of parameter space as well as validation of double-precision results. Implementation issues for transferring much of the computation to a graphic processing units are briefly discussed, and the performance of the algorithm is tested for a number of hardware configurations.

Evaluating variability with atomistic simulations: the effect of potential and calculation methodology on the modeling of lattice and elastic constants

NASA Astrophysics Data System (ADS)

Hale, Lucas M.; Trautt, Zachary T.; Becker, Chandler A.

2018-07-01

Atomistic simulations using classical interatomic potentials are powerful investigative tools linking atomic structures to dynamic properties and behaviors. It is well known that different interatomic potentials produce different results, thus making it necessary to characterize potentials based on how they predict basic properties. Doing so makes it possible to compare existing interatomic models in order to select those best suited for specific use cases, and to identify any limitations of the models that may lead to unrealistic responses. While the methods for obtaining many of these properties are often thought of as simple calculations, there are many underlying aspects that can lead to variability in the reported property values. For instance, multiple methods may exist for computing the same property and values may be sensitive to certain simulation parameters. Here, we introduce a new high-throughput computational framework that encodes various simulation methodologies as Python calculation scripts. Three distinct methods for evaluating the lattice and elastic constants of bulk crystal structures are implemented and used to evaluate the properties across 120 interatomic potentials, 18 crystal prototypes, and all possible combinations of unique lattice site and elemental model pairings. Analysis of the results reveals which potentials and crystal prototypes are sensitive to the calculation methods and parameters, and it assists with the verification of potentials, methods, and molecular dynamics software. The results, calculation scripts, and computational infrastructure are self-contained and openly available to support researchers in performing meaningful simulations.

D Reconstruction from Multi-View Medical X-Ray Images - Review and Evaluation of Existing Methods

NASA Astrophysics Data System (ADS)

Hosseinian, S.; Arefi, H.

2015-12-01

The 3D concept is extremely important in clinical studies of human body. Accurate 3D models of bony structures are currently required in clinical routine for diagnosis, patient follow-up, surgical planning, computer assisted surgery and biomechanical applications. However, 3D conventional medical imaging techniques such as computed tomography (CT) scan and magnetic resonance imaging (MRI) have serious limitations such as using in non-weight-bearing positions, costs and high radiation dose(for CT). Therefore, 3D reconstruction methods from biplanar X-ray images have been taken into consideration as reliable alternative methods in order to achieve accurate 3D models with low dose radiation in weight-bearing positions. Different methods have been offered for 3D reconstruction from X-ray images using photogrammetry which should be assessed. In this paper, after demonstrating the principles of 3D reconstruction from X-ray images, different existing methods of 3D reconstruction of bony structures from radiographs are classified and evaluated with various metrics and their advantages and disadvantages are mentioned. Finally, a comparison has been done on the presented methods with respect to several metrics such as accuracy, reconstruction time and their applications. With regards to the research, each method has several advantages and disadvantages which should be considered for a specific application.

Rigorous Numerics for ill-posed PDEs: Periodic Orbits in the Boussinesq Equation

NASA Astrophysics Data System (ADS)

Castelli, Roberto; Gameiro, Marcio; Lessard, Jean-Philippe

2018-04-01

In this paper, we develop computer-assisted techniques for the analysis of periodic orbits of ill-posed partial differential equations. As a case study, our proposed method is applied to the Boussinesq equation, which has been investigated extensively because of its role in the theory of shallow water waves. The idea is to use the symmetry of the solutions and a Newton-Kantorovich type argument (the radii polynomial approach) to obtain rigorous proofs of existence of the periodic orbits in a weighted ℓ1 Banach space of space-time Fourier coefficients with exponential decay. We present several computer-assisted proofs of the existence of periodic orbits at different parameter values.

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

Spycher, Nicolas; Peiffer, Loic; Finsterle, Stefan

GeoT implements the multicomponent geothermometry method developed by Reed and Spycher (1984, Geochim. Cosmichim. Acta 46 513–528) into a stand-alone computer program, to ease the application of this method and to improve the prediction of geothermal reservoir temperatures using full and integrated chemical analyses of geothermal fluids. Reservoir temperatures are estimated from statistical analyses of mineral saturation indices computed as a function of temperature. The reconstruction of the deep geothermal fluid compositions, and geothermometry computations, are all implemented into the same computer program, allowing unknown or poorly constrained input parameters to be estimated by numerical optimization using existing parameter estimationmore » software, such as iTOUGH2, PEST, or UCODE. This integrated geothermometry approach presents advantages over classical geothermometers for fluids that have not fully equilibrated with reservoir minerals and/or that have been subject to processes such as dilution and gas loss.« less

A Research Roadmap for Computation-Based Human Reliability Analysis

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

Boring, Ronald; Mandelli, Diego; Joe, Jeffrey

2015-08-01

The United States (U.S.) Department of Energy (DOE) is sponsoring research through the Light Water Reactor Sustainability (LWRS) program to extend the life of the currently operating fleet of commercial nuclear power plants. The Risk Informed Safety Margin Characterization (RISMC) research pathway within LWRS looks at ways to maintain and improve the safety margins of these plants. The RISMC pathway includes significant developments in the area of thermalhydraulics code modeling and the development of tools to facilitate dynamic probabilistic risk assessment (PRA). PRA is primarily concerned with the risk of hardware systems at the plant; yet, hardware reliability is oftenmore » secondary in overall risk significance to human errors that can trigger or compound undesirable events at the plant. This report highlights ongoing efforts to develop a computation-based approach to human reliability analysis (HRA). This computation-based approach differs from existing static and dynamic HRA approaches in that it: (i) interfaces with a dynamic computation engine that includes a full scope plant model, and (ii) interfaces with a PRA software toolset. The computation-based HRA approach presented in this report is called the Human Unimodels for Nuclear Technology to Enhance Reliability (HUNTER) and incorporates in a hybrid fashion elements of existing HRA methods to interface with new computational tools developed under the RISMC pathway. The goal of this research effort is to model human performance more accurately than existing approaches, thereby minimizing modeling uncertainty found in current plant risk models.« less

Opaque cloud detection

DOEpatents

Roskovensky, John K [Albuquerque, NM

2009-01-20

A method of detecting clouds in a digital image comprising, for an area of the digital image, determining a reflectance value in at least three discrete electromagnetic spectrum bands, computing a first ratio of one reflectance value minus another reflectance value and the same two values added together, computing a second ratio of one reflectance value and another reflectance value, choosing one of the reflectance values, and concluding that an opaque cloud exists in the area if the results of each of the two computing steps and the choosing step fall within three corresponding predetermined ranges.

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.

Broadband computation of the scattering coefficients of infinite arbitrary cylinders.

PubMed

Blanchard, Cédric; Guizal, Brahim; Felbacq, Didier

2012-07-01

We employ a time-domain method to compute the near field on a contour enclosing infinitely long cylinders of arbitrary cross section and constitution. We therefore recover the cylindrical Hankel coefficients of the expansion of the field outside the circumscribed circle of the structure. The recovered coefficients enable the wideband analysis of complex systems, e.g., the determination of the radar cross section becomes straightforward. The prescription for constructing such a numerical tool is provided in great detail. The method is validated by computing the scattering coefficients for a homogeneous circular cylinder illuminated by a plane wave, a problem for which an analytical solution exists. Finally, some radiation properties of an optical antenna are examined by employing the proposed technique.

The exact analysis of contingency tables in medical research.

PubMed

Mehta, C R

1994-01-01

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

Thrombosis in Cerebral Aneurysms and the Computational Modeling Thereof: A Review

PubMed Central

Ngoepe, Malebogo N.; Frangi, Alejandro F.; Byrne, James V.; Ventikos, Yiannis

2018-01-01

Thrombosis is a condition closely related to cerebral aneurysms and controlled thrombosis is the main purpose of endovascular embolization treatment. The mechanisms governing thrombus initiation and evolution in cerebral aneurysms have not been fully elucidated and this presents challenges for interventional planning. Significant effort has been directed towards developing computational methods aimed at streamlining the interventional planning process for unruptured cerebral aneurysm treatment. Included in these methods are computational models of thrombus development following endovascular device placement. The main challenge with developing computational models for thrombosis in disease cases is that there exists a wide body of literature that addresses various aspects of the clotting process, but it may not be obvious what information is of direct consequence for what modeling purpose (e.g., for understanding the effect of endovascular therapies). The aim of this review is to present the information so it will be of benefit to the community attempting to model cerebral aneurysm thrombosis for interventional planning purposes, in a simplified yet appropriate manner. The paper begins by explaining current understanding of physiological coagulation and highlights the documented distinctions between the physiological process and cerebral aneurysm thrombosis. Clinical observations of thrombosis following endovascular device placement are then presented. This is followed by a section detailing the demands placed on computational models developed for interventional planning. Finally, existing computational models of thrombosis are presented. This last section begins with description and discussion of physiological computational clotting models, as they are of immense value in understanding how to construct a general computational model of clotting. This is then followed by a review of computational models of clotting in cerebral aneurysms, specifically. Even though some progress has been made towards computational predictions of thrombosis following device placement in cerebral aneurysms, many gaps still remain. Answering the key questions will require the combined efforts of the clinical, experimental and computational communities. PMID:29670533

Thrombosis in Cerebral Aneurysms and the Computational Modeling Thereof: A Review.

PubMed

Ngoepe, Malebogo N; Frangi, Alejandro F; Byrne, James V; Ventikos, Yiannis

2018-01-01

Thrombosis is a condition closely related to cerebral aneurysms and controlled thrombosis is the main purpose of endovascular embolization treatment. The mechanisms governing thrombus initiation and evolution in cerebral aneurysms have not been fully elucidated and this presents challenges for interventional planning. Significant effort has been directed towards developing computational methods aimed at streamlining the interventional planning process for unruptured cerebral aneurysm treatment. Included in these methods are computational models of thrombus development following endovascular device placement. The main challenge with developing computational models for thrombosis in disease cases is that there exists a wide body of literature that addresses various aspects of the clotting process, but it may not be obvious what information is of direct consequence for what modeling purpose (e.g., for understanding the effect of endovascular therapies). The aim of this review is to present the information so it will be of benefit to the community attempting to model cerebral aneurysm thrombosis for interventional planning purposes, in a simplified yet appropriate manner. The paper begins by explaining current understanding of physiological coagulation and highlights the documented distinctions between the physiological process and cerebral aneurysm thrombosis. Clinical observations of thrombosis following endovascular device placement are then presented. This is followed by a section detailing the demands placed on computational models developed for interventional planning. Finally, existing computational models of thrombosis are presented. This last section begins with description and discussion of physiological computational clotting models, as they are of immense value in understanding how to construct a general computational model of clotting. This is then followed by a review of computational models of clotting in cerebral aneurysms, specifically. Even though some progress has been made towards computational predictions of thrombosis following device placement in cerebral aneurysms, many gaps still remain. Answering the key questions will require the combined efforts of the clinical, experimental and computational communities.

A-VCI: A flexible method to efficiently compute vibrational spectra

NASA Astrophysics Data System (ADS)

Odunlami, Marc; Le Bris, Vincent; Bégué, Didier; Baraille, Isabelle; Coulaud, Olivier

2017-06-01

The adaptive vibrational configuration interaction algorithm has been introduced as a new method to efficiently reduce the dimension of the set of basis functions used in a vibrational configuration interaction process. It is based on the construction of nested bases for the discretization of the Hamiltonian operator according to a theoretical criterion that ensures the convergence of the method. In the present work, the Hamiltonian is written as a sum of products of operators. The purpose of this paper is to study the properties and outline the performance details of the main steps of the algorithm. New parameters have been incorporated to increase flexibility, and their influence has been thoroughly investigated. The robustness and reliability of the method are demonstrated for the computation of the vibrational spectrum up to 3000 cm-1 of a widely studied 6-atom molecule (acetonitrile). Our results are compared to the most accurate up to date computation; we also give a new reference calculation for future work on this system. The algorithm has also been applied to a more challenging 7-atom molecule (ethylene oxide). The computed spectrum up to 3200 cm-1 is the most accurate computation that exists today on such systems.

A-VCI: A flexible method to efficiently compute vibrational spectra.

PubMed

Odunlami, Marc; Le Bris, Vincent; Bégué, Didier; Baraille, Isabelle; Coulaud, Olivier

2017-06-07

The adaptive vibrational configuration interaction algorithm has been introduced as a new method to efficiently reduce the dimension of the set of basis functions used in a vibrational configuration interaction process. It is based on the construction of nested bases for the discretization of the Hamiltonian operator according to a theoretical criterion that ensures the convergence of the method. In the present work, the Hamiltonian is written as a sum of products of operators. The purpose of this paper is to study the properties and outline the performance details of the main steps of the algorithm. New parameters have been incorporated to increase flexibility, and their influence has been thoroughly investigated. The robustness and reliability of the method are demonstrated for the computation of the vibrational spectrum up to 3000 cm -1 of a widely studied 6-atom molecule (acetonitrile). Our results are compared to the most accurate up to date computation; we also give a new reference calculation for future work on this system. The algorithm has also been applied to a more challenging 7-atom molecule (ethylene oxide). The computed spectrum up to 3200 cm -1 is the most accurate computation that exists today on such systems.

Design and Analysis Tools for Supersonic Inlets

NASA Technical Reports Server (NTRS)

Slater, John W.; Folk, Thomas C.

2009-01-01

Computational tools are being developed for the design and analysis of supersonic inlets. The objective is to update existing tools and provide design and low-order aerodynamic analysis capability for advanced inlet concepts. The Inlet Tools effort includes aspects of creating an electronic database of inlet design information, a document describing inlet design and analysis methods, a geometry model for describing the shape of inlets, and computer tools that implement the geometry model and methods. The geometry model has a set of basic inlet shapes that include pitot, two-dimensional, axisymmetric, and stream-traced inlet shapes. The inlet model divides the inlet flow field into parts that facilitate the design and analysis methods. The inlet geometry model constructs the inlet surfaces through the generation and transformation of planar entities based on key inlet design factors. Future efforts will focus on developing the inlet geometry model, the inlet design and analysis methods, a Fortran 95 code to implement the model and methods. Other computational platforms, such as Java, will also be explored.

Computational fluid dynamics - The coming revolution

NASA Technical Reports Server (NTRS)

Graves, R. A., Jr.

1982-01-01

The development of aerodynamic theory is traced from the days of Aristotle to the present, with the next stage in computational fluid dynamics dependent on superspeed computers for flow calculations. Additional attention is given to the history of numerical methods inherent in writing computer codes applicable to viscous and inviscid analyses for complex configurations. The advent of the superconducting Josephson junction is noted to place configurational demands on computer design to avoid limitations imposed by the speed of light, and a Japanese projection of a computer capable of several hundred billion operations/sec is mentioned. The NASA Numerical Aerodynamic Simulator is described, showing capabilities of a billion operations/sec with a memory of 240 million words using existing technology. Near-term advances in fluid dynamics are discussed.

Fast Learning for Immersive Engagement in Energy Simulations

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

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

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

A Monte Carlo study of Weibull reliability analysis for space shuttle main engine components

NASA Technical Reports Server (NTRS)

Abernethy, K.

1986-01-01

The incorporation of a number of additional capabilities into an existing Weibull analysis computer program and the results of Monte Carlo computer simulation study to evaluate the usefulness of the Weibull methods using samples with a very small number of failures and extensive censoring are discussed. Since the censoring mechanism inherent in the Space Shuttle Main Engine (SSME) data is hard to analyze, it was decided to use a random censoring model, generating censoring times from a uniform probability distribution. Some of the statistical techniques and computer programs that are used in the SSME Weibull analysis are described. The methods documented in were supplemented by adding computer calculations of approximate (using iteractive methods) confidence intervals for several parameters of interest. These calculations are based on a likelihood ratio statistic which is asymptotically a chisquared statistic with one degree of freedom. The assumptions built into the computer simulations are described. The simulation program and the techniques used in it are described there also. Simulation results are tabulated for various combinations of Weibull shape parameters and the numbers of failures in the samples.

Artificial Boundary Conditions Based on the Difference Potentials Method

NASA Technical Reports Server (NTRS)

Tsynkov, Semyon V.

1996-01-01

While numerically solving a problem initially formulated on an unbounded domain, one typically truncates this domain, which necessitates setting the artificial boundary conditions (ABC's) at the newly formed external boundary. The issue of setting the ABC's appears to be most significant in many areas of scientific computing, for example, in problems originating from acoustics, electrodynamics, solid mechanics, and fluid dynamics. In particular, in computational fluid dynamics (where external problems present a wide class of practically important formulations) the proper treatment of external boundaries may have a profound impact on the overall quality and performance of numerical algorithms. Most of the currently used techniques for setting the ABC's can basically be classified into two groups. The methods from the first group (global ABC's) usually provide high accuracy and robustness of the numerical procedure but often appear to be fairly cumbersome and (computationally) expensive. The methods from the second group (local ABC's) are, as a rule, algorithmically simple, numerically cheap, and geometrically universal; however, they usually lack accuracy of computations. In this paper we first present a survey and provide a comparative assessment of different existing methods for constructing the ABC's. Then, we describe a relatively new ABC's technique of ours and review the corresponding results. This new technique, in our opinion, is currently one of the most promising in the field. It enables one to construct such ABC's that combine the advantages relevant to the two aforementioned classes of existing methods. Our approach is based on application of the difference potentials method attributable to V. S. Ryaben'kii. This approach allows us to obtain highly accurate ABC's in the form of certain (nonlocal) boundary operator equations. The operators involved are analogous to the pseudodifferential boundary projections first introduced by A. P. Calderon and then also studied by R. T. Seeley. The apparatus of the boundary pseudodifferential equations, which has formerly been used mostly in the qualitative theory of integral equations and PDE'S, is now effectively employed for developing numerical methods in the different fields of scientific computing.

A Fast Method for Embattling Optimization of Ground-Based Radar Surveillance Network

NASA Astrophysics Data System (ADS)

Jiang, H.; Cheng, H.; Zhang, Y.; Liu, J.

A growing number of space activities have created an orbital debris environment that poses increasing impact risks to existing space systems and human space flight. For the safety of in-orbit spacecraft, a lot of observation facilities are needed to catalog space objects, especially in low earth orbit. Surveillance of Low earth orbit objects are mainly rely on ground-based radar, due to the ability limitation of exist radar facilities, a large number of ground-based radar need to build in the next few years in order to meet the current space surveillance demands. How to optimize the embattling of ground-based radar surveillance network is a problem to need to be solved. The traditional method for embattling optimization of ground-based radar surveillance network is mainly through to the detection simulation of all possible stations with cataloged data, and makes a comprehensive comparative analysis of various simulation results with the combinational method, and then selects an optimal result as station layout scheme. This method is time consuming for single simulation and high computational complexity for the combinational analysis, when the number of stations increases, the complexity of optimization problem will be increased exponentially, and cannot be solved with traditional method. There is no better way to solve this problem till now. In this paper, target detection procedure was simplified. Firstly, the space coverage of ground-based radar was simplified, a space coverage projection model of radar facilities in different orbit altitudes was built; then a simplified objects cross the radar coverage model was established according to the characteristics of space objects orbit motion; after two steps simplification, the computational complexity of the target detection was greatly simplified, and simulation results shown the correctness of the simplified results. In addition, the detection areas of ground-based radar network can be easily computed with the simplified model, and then optimized the embattling of ground-based radar surveillance network with the artificial intelligent algorithm, which can greatly simplifies the computational complexities. Comparing with the traditional method, the proposed method greatly improved the computational efficiency.

Analysis of high aspect ratio jet flap wings of arbitrary geometry.

NASA Technical Reports Server (NTRS)

Lissaman, P. B. S.

1973-01-01

Paper presents a design technique for rapidly computing lift, induced drag, and spanwise loading of unswept jet flap wings of arbitrary thickness, chord, twist, blowing, and jet angle, including discontinuities. Linear theory is used, extending Spence's method for elliptically loaded jet flap wings. Curves for uniformly blown rectangular wings are presented for direct performance estimation. Arbitrary planforms require a simple computer program. Method of reducing wing to equivalent stretched, twisted, unblown planform for hand calculation is also given. Results correlate with limited existing data, and show lifting line theory is reasonable down to aspect ratios of 5.

Method and apparatus for managing transactions with connected computers

DOEpatents

Goldsmith, Steven Y.; Phillips, Laurence R.; Spires, Shannon V.

2003-01-01

The present invention provides a method and apparatus that make use of existing computer and communication resources and that reduce the errors and delays common to complex transactions such as international shipping. The present invention comprises an agent-based collaborative work environment that assists geographically distributed commercial and government users in the management of complex transactions such as the transshipment of goods across the U.S.-Mexico border. Software agents can mediate the creation, validation and secure sharing of shipment information and regulatory documentation over the Internet, using the World-Wide Web to interface with human users.

The method of a joint intraday security check system based on cloud computing

NASA Astrophysics Data System (ADS)

Dong, Wei; Feng, Changyou; Zhou, Caiqi; Cai, Zhi; Dan, Xu; Dai, Sai; Zhang, Chuancheng

2017-01-01

The intraday security check is the core application in the dispatching control system. The existing security check calculation only uses the dispatch center’s local model and data as the functional margin. This paper introduces the design of all-grid intraday joint security check system based on cloud computing and its implementation. To reduce the effect of subarea bad data on the all-grid security check, a new power flow algorithm basing on comparison and adjustment with inter-provincial tie-line plan is presented. And the numerical example illustrated the effectiveness and feasibility of the proposed method.

Orientation of doubly rotated quartz plates.

PubMed

Sherman, J R

1989-01-01

A derivation from classical spherical trigonometry of equations to compute the orientation of doubly-rotated quartz blanks from Bragg X-ray data is discussed. These are usually derived by compact and efficient vector methods, which are reviewed briefly. They are solved by generating a quadratic equation with numerical coefficients. Two methods exist for performing the computation from measurements against two planes: a direct solution by a quadratic equation and a process of convergent iteration. Both have a spurious solution. Measurement against three lattice planes yields a set of three linear equations the solution of which is an unambiguous result.

Efficient Strategies for Estimating the Spatial Coherence of Backscatter

PubMed Central

Hyun, Dongwoon; Crowley, Anna Lisa C.; Dahl, Jeremy J.

2017-01-01

The spatial coherence of ultrasound backscatter has been proposed to reduce clutter in medical imaging, to measure the anisotropy of the scattering source, and to improve the detection of blood flow. These techniques rely on correlation estimates that are obtained using computationally expensive strategies. In this study, we assess existing spatial coherence estimation methods and propose three computationally efficient modifications: a reduced kernel, a downsampled receive aperture, and the use of an ensemble correlation coefficient. The proposed methods are implemented in simulation and in vivo studies. Reducing the kernel to a single sample improved computational throughput and improved axial resolution. Downsampling the receive aperture was found to have negligible effect on estimator variance, and improved computational throughput by an order of magnitude for a downsample factor of 4. The ensemble correlation estimator demonstrated lower variance than the currently used average correlation. Combining the three methods, the throughput was improved 105-fold in simulation with a downsample factor of 4 and 20-fold in vivo with a downsample factor of 2. PMID:27913342

On the Hosoya index of a family of deterministic recursive trees

NASA Astrophysics Data System (ADS)

Chen, Xufeng; Zhang, Jingyuan; Sun, Weigang

2017-01-01

In this paper, we calculate the Hosoya index in a family of deterministic recursive trees with a special feature that includes new nodes which are connected to existing nodes with a certain rule. We then obtain a recursive solution of the Hosoya index based on the operations of a determinant. The computational complexity of our proposed algorithm is O(log2 n) with n being the network size, which is lower than that of the existing numerical methods. Finally, we give a weighted tree shrinking method as a graphical interpretation of the recurrence formula for the Hosoya index.

A Fuzzy Computing Model for Identifying Polarity of Chinese Sentiment Words

PubMed Central

Huang, Yongfeng; Wu, Xian; Li, Xing

2015-01-01

With the spurt of online user-generated contents on web, sentiment analysis has become a very active research issue in data mining and natural language processing. As the most important indicator of sentiment, sentiment words which convey positive and negative polarity are quite instrumental for sentiment analysis. However, most of the existing methods for identifying polarity of sentiment words only consider the positive and negative polarity by the Cantor set, and no attention is paid to the fuzziness of the polarity intensity of sentiment words. In order to improve the performance, we propose a fuzzy computing model to identify the polarity of Chinese sentiment words in this paper. There are three major contributions in this paper. Firstly, we propose a method to compute polarity intensity of sentiment morphemes and sentiment words. Secondly, we construct a fuzzy sentiment classifier and propose two different methods to compute the parameter of the fuzzy classifier. Thirdly, we conduct extensive experiments on four sentiment words datasets and three review datasets, and the experimental results indicate that our model performs better than the state-of-the-art methods. PMID:26106409

Local Orthogonal Cutting Method for Computing Medial Curves and Its Biomedical Applications

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

Jiao, Xiangmin; Einstein, Daniel R.; Dyedov, Volodymyr

2010-03-24

Medial curves have a wide range of applications in geometric modeling and analysis (such as shape matching) and biomedical engineering (such as morphometry and computer assisted surgery). The computation of medial curves poses significant challenges, both in terms of theoretical analysis and practical efficiency and reliability. In this paper, we propose a definition and analysis of medial curves and also describe an efficient and robust method for computing medial curves. Our approach is based on three key concepts: a local orthogonal decomposition of objects into substructures, a differential geometry concept called the interior center of curvature (ICC), and integrated stabilitymore » and consistency tests. These concepts lend themselves to robust numerical techniques including eigenvalue analysis, weighted least squares approximations, and numerical minimization, resulting in an algorithm that is efficient and noise resistant. We illustrate the effectiveness and robustness of our approach with some highly complex, large-scale, noisy biomedical geometries derived from medical images, including lung airways and blood vessels. We also present comparisons of our method with some existing methods.« less

Assigning unique identification numbers to new user accounts and groups in a computing environment with multiple registries

DOEpatents

DeRobertis, Christopher V.; Lu, Yantian T.

2010-02-23

A method, system, and program storage device for creating a new user account or user group with a unique identification number in a computing environment having multiple user registries is provided. In response to receiving a command to create a new user account or user group, an operating system of a clustered computing environment automatically checks multiple registries configured for the operating system to determine whether a candidate identification number for the new user account or user group has been assigned already to one or more existing user accounts or groups, respectively. The operating system automatically assigns the candidate identification number to the new user account or user group created in a target user registry if the checking indicates that the candidate identification number has not been assigned already to any of the existing user accounts or user groups, respectively.

Combining existing numerical models with data assimilation using weighted least-squares finite element methods.

PubMed

Rajaraman, Prathish K; Manteuffel, T A; Belohlavek, M; Heys, Jeffrey J

2017-01-01

A new approach has been developed for combining and enhancing the results from an existing computational fluid dynamics model with experimental data using the weighted least-squares finite element method (WLSFEM). Development of the approach was motivated by the existence of both limited experimental blood velocity in the left ventricle and inexact numerical models of the same flow. Limitations of the experimental data include measurement noise and having data only along a two-dimensional plane. Most numerical modeling approaches do not provide the flexibility to assimilate noisy experimental data. We previously developed an approach that could assimilate experimental data into the process of numerically solving the Navier-Stokes equations, but the approach was limited because it required the use of specific finite element methods for solving all model equations and did not support alternative numerical approximation methods. The new approach presented here allows virtually any numerical method to be used for approximately solving the Navier-Stokes equations, and then the WLSFEM is used to combine the experimental data with the numerical solution of the model equations in a final step. The approach dynamically adjusts the influence of the experimental data on the numerical solution so that more accurate data are more closely matched by the final solution and less accurate data are not closely matched. The new approach is demonstrated on different test problems and provides significantly reduced computational costs compared with many previous methods for data assimilation. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

Quantum computation in the analysis of hyperspectral data

NASA Astrophysics Data System (ADS)

Gomez, Richard B.; Ghoshal, Debabrata; Jayanna, Anil

2004-08-01

Recent research on the topic of quantum computation provides us with some quantum algorithms with higher efficiency and speedup compared to their classical counterparts. In this paper, it is our intent to provide the results of our investigation of several applications of such quantum algorithms - especially the Grover's Search algorithm - in the analysis of Hyperspectral Data. We found many parallels with Grover's method in existing data processing work that make use of classical spectral matching algorithms. Our efforts also included the study of several methods dealing with hyperspectral image analysis work where classical computation methods involving large data sets could be replaced with quantum computation methods. The crux of the problem in computation involving a hyperspectral image data cube is to convert the large amount of data in high dimensional space to real information. Currently, using the classical model, different time consuming methods and steps are necessary to analyze these data including: Animation, Minimum Noise Fraction Transform, Pixel Purity Index algorithm, N-dimensional scatter plot, Identification of Endmember spectra - are such steps. If a quantum model of computation involving hyperspectral image data can be developed and formalized - it is highly likely that information retrieval from hyperspectral image data cubes would be a much easier process and the final information content would be much more meaningful and timely. In this case, dimensionality would not be a curse, but a blessing.

Window-based method for approximating the Hausdorff in three-dimensional range imagery

DOEpatents

Koch, Mark W [Albuquerque, NM

2009-06-02

One approach to pattern recognition is to use a template from a database of objects and match it to a probe image containing the unknown. Accordingly, the Hausdorff distance can be used to measure the similarity of two sets of points. In particular, the Hausdorff can measure the goodness of a match in the presence of occlusion, clutter, and noise. However, existing 3D algorithms for calculating the Hausdorff are computationally intensive, making them impractical for pattern recognition that requires scanning of large databases. The present invention is directed to a new method that can efficiently, in time and memory, compute the Hausdorff for 3D range imagery. The method uses a window-based approach.

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

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

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

2017-01-02

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

Metamodels for Computer-Based Engineering Design: Survey and Recommendations

NASA Technical Reports Server (NTRS)

Simpson, Timothy W.; Peplinski, Jesse; Koch, Patrick N.; Allen, Janet K.

1997-01-01

The use of statistical techniques to build approximations of expensive computer analysis codes pervades much of todays engineering design. These statistical approximations, or metamodels, are used to replace the actual expensive computer analyses, facilitating multidisciplinary, multiobjective optimization and concept exploration. In this paper we review several of these techniques including design of experiments, response surface methodology, Taguchi methods, neural networks, inductive learning, and kriging. We survey their existing application in engineering design and then address the dangers of applying traditional statistical techniques to approximate deterministic computer analysis codes. We conclude with recommendations for the appropriate use of statistical approximation techniques in given situations and how common pitfalls can be avoided.

Computational biology for ageing

PubMed Central

Wieser, Daniela; Papatheodorou, Irene; Ziehm, Matthias; Thornton, Janet M.

2011-01-01

High-throughput genomic and proteomic technologies have generated a wealth of publicly available data on ageing. Easy access to these data, and their computational analysis, is of great importance in order to pinpoint the causes and effects of ageing. Here, we provide a description of the existing databases and computational tools on ageing that are available for researchers. We also describe the computational approaches to data interpretation in the field of ageing including gene expression, comparative and pathway analyses, and highlight the challenges for future developments. We review recent biological insights gained from applying bioinformatics methods to analyse and interpret ageing data in different organisms, tissues and conditions. PMID:21115530

The Computer as a Tool for Learning

PubMed Central

Starkweather, John A.

1986-01-01

Experimenters from the beginning recognized the advantages computers might offer in medical education. Several medical schools have gained experience in such programs in automated instruction. Television images and graphic display combined with computer control and user interaction are effective for teaching problem solving. The National Board of Medical Examiners has developed patient-case simulation for examining clinical skills, and the National Library of Medicine has experimented with combining media. Advances from the field of artificial intelligence and the availability of increasingly powerful microcomputers at lower cost will aid further development. Computers will likely affect existing educational methods, adding new capabilities to laboratory exercises, to self-assessment and to continuing education. PMID:3544511

Proportional Topology Optimization: A New Non-Sensitivity Method for Solving Stress Constrained and Minimum Compliance Problems and Its Implementation in MATLAB

PubMed Central

Biyikli, Emre; To, Albert C.

2015-01-01

A new topology optimization method called the Proportional Topology Optimization (PTO) is presented. As a non-sensitivity method, PTO is simple to understand, easy to implement, and is also efficient and accurate at the same time. It is implemented into two MATLAB programs to solve the stress constrained and minimum compliance problems. Descriptions of the algorithm and computer programs are provided in detail. The method is applied to solve three numerical examples for both types of problems. The method shows comparable efficiency and accuracy with an existing optimality criteria method which computes sensitivities. Also, the PTO stress constrained algorithm and minimum compliance algorithm are compared by feeding output from one algorithm to the other in an alternative manner, where the former yields lower maximum stress and volume fraction but higher compliance compared to the latter. Advantages and disadvantages of the proposed method and future works are discussed. The computer programs are self-contained and publicly shared in the website www.ptomethod.org. PMID:26678849

Parameterizing the Variability and Uncertainty of Wind and Solar in CEMs

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

Frew, Bethany

We present current and improved methods for estimating the capacity value and curtailment impacts from variable generation (VG) in capacity expansion models (CEMs). The ideal calculation of these variability metrics is through an explicit co-optimized investment-dispatch model using multiple years of VG and load data. Because of data and computational limitations, existing CEMs typically approximate these metrics using a subset of all hours from a single year and/or using statistical methods, which often do not capture the tail-event impacts or the broader set of interactions between VG, storage, and conventional generators. In our proposed new methods, we use hourly generationmore » and load values across all hours of the year to characterize the (1) contribution of VG to system capacity during high load hours, (2) the curtailment level of VG, and (3) the reduction in VG curtailment due to storage and shutdown of select thermal generators. Using CEM model outputs from a preceding model solve period, we apply these methods to exogenously calculate capacity value and curtailment metrics for the subsequent model solve period. Preliminary results suggest that these hourly methods offer improved capacity value and curtailment representations of VG in the CEM from existing approximation methods without additional computational burdens.« less

Model reductions using a projection formulation

NASA Technical Reports Server (NTRS)

De Villemagne, Christian; Skelton, Robert E.

1987-01-01

A new methodology for model reduction of MIMO systems exploits the notion of an oblique projection. A reduced model is uniquely defined by a projector whose range space and orthogonal to the null space are chosen among the ranges of generalized controllability and observability matrices. The reduced order models match various combinations (chosen by the designer) of four types of parameters of the full order system associated with (1) low frequency response, (2) high frequency response, (3) low frequency power spectral density, and (4) high frequency power spectral density. Thus, the proposed method is a computationally simple substitute for many existing methods, has an extreme flexibility to embrace combinations of existing methods and offers some new features.

Dichotomous versus semi-quantitative scoring of ultrasound joint inflammation in rheumatoid arthritis using novel individualized joint selection methods.

PubMed

Tan, York Kiat; Allen, John C; Lye, Weng Kit; Conaghan, Philip G; Chew, Li-Ching; Thumboo, Julian

2017-05-01

The aim of the study is to compare the responsiveness of two joint inflammation scoring systems (dichotomous scoring (DS) versus semi-quantitative scoring (SQS)) using novel individualized ultrasound joint selection methods and existing ultrasound joint selection methods. Responsiveness measured by the standardized response means (SRMs) using the DS and the SQS system (for both the novel and existing ultrasound joint selection methods) was derived using the baseline and the 3-month total inflammatory scores from 20 rheumatoid arthritis patients. The relative SRM gain ratios (SRM-Gains) for both scoring system (DS and SQS) comparing the novel to the existing methods were computed. Both scoring systems (DS and SQS) demonstrated substantial SRM-Gains (ranged from 3.31 to 5.67 for the DS system and ranged from 1.82 to 3.26 for the SQS system). The SRMs using the novel methods ranged from 0.94 to 1.36 for the DS system and ranged from 0.89 to 1.11 for the SQS system. The SRMs using the existing methods ranged from 0.24 to 0.32 for the DS system and ranged from 0.34 to 0.49 for the SQS system. The DS system appears to achieve high responsiveness comparable to SQS for the novel individualized ultrasound joint selection methods.

Gear Drive Testing

NASA Technical Reports Server (NTRS)

1982-01-01

Philadelphia Gear Corporation used two COSMIC computer programs; one dealing with shrink fit analysis and the other with rotor dynamics problems in computerized design and test work. The programs were used to verify existing in-house programs to insure design accuracy by checking its company-developed computer methods against procedures developed by other organizations. Its specialty is in custom units for unique applications, such as Coast Guard ice breaking ships, steel mill drives, coal crusher, sewage treatment equipment and electricity.

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

NASA Astrophysics Data System (ADS)

Khovanskov, Sergey; Rumyantsev, Konstantin; Khovanskova, Vera

2018-04-01

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

Virus Particle Detection by Convolutional Neural Network in Transmission Electron Microscopy Images.

PubMed

Ito, Eisuke; Sato, Takaaki; Sano, Daisuke; Utagawa, Etsuko; Kato, Tsuyoshi

2018-06-01

A new computational method for the detection of virus particles in transmission electron microscopy (TEM) images is presented. Our approach is to use a convolutional neural network that transforms a TEM image to a probabilistic map that indicates where virus particles exist in the image. Our proposed approach automatically and simultaneously learns both discriminative features and classifier for virus particle detection by machine learning, in contrast to existing methods that are based on handcrafted features that yield many false positives and require several postprocessing steps. The detection performance of the proposed method was assessed against a dataset of TEM images containing feline calicivirus particles and compared with several existing detection methods, and the state-of-the-art performance of the developed method for detecting virus was demonstrated. Since our method is based on supervised learning that requires both the input images and their corresponding annotations, it is basically used for detection of already-known viruses. However, the method is highly flexible, and the convolutional networks can adapt themselves to any virus particles by learning automatically from an annotated dataset.

Quadcopter Control Using Speech Recognition

NASA Astrophysics Data System (ADS)

Malik, H.; Darma, S.; Soekirno, S.

2018-04-01

This research reported a comparison from a success rate of speech recognition systems that used two types of databases they were existing databases and new databases, that were implemented into quadcopter as motion control. Speech recognition system was using Mel frequency cepstral coefficient method (MFCC) as feature extraction that was trained using recursive neural network method (RNN). MFCC method was one of the feature extraction methods that most used for speech recognition. This method has a success rate of 80% - 95%. Existing database was used to measure the success rate of RNN method. The new database was created using Indonesian language and then the success rate was compared with results from an existing database. Sound input from the microphone was processed on a DSP module with MFCC method to get the characteristic values. Then, the characteristic values were trained using the RNN which result was a command. The command became a control input to the single board computer (SBC) which result was the movement of the quadcopter. On SBC, we used robot operating system (ROS) as the kernel (Operating System).

An Evaluation of Attitude-Independent Magnetometer-Bias Determination Methods

NASA Technical Reports Server (NTRS)

Hashmall, J. A.; Deutschmann, Julie

1996-01-01

Although several algorithms now exist for determining three-axis magnetometer (TAM) biases without the use of attitude data, there are few studies on the effectiveness of these methods, especially in comparison with attitude dependent methods. This paper presents the results of a comparison of three attitude independent methods and an attitude dependent method for computing TAM biases. The comparisons are based on in-flight data from the Extreme Ultraviolet Explorer (EUVE), the Upper Atmosphere Research Satellite (UARS), and the Compton Gamma Ray Observatory (GRO). The effectiveness of an algorithm is measured by the accuracy of attitudes computed using biases determined with that algorithm. The attitude accuracies are determined by comparison with known, extremely accurate, star-tracker-based attitudes. In addition, the effect of knowledge of calibration parameters other than the biases on the effectiveness of all bias determination methods is examined.

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.

Efficient Feature Selection and Classification of Protein Sequence Data in Bioinformatics

PubMed Central

Faye, Ibrahima; Samir, Brahim Belhaouari; Md Said, Abas

2014-01-01

Bioinformatics has been an emerging area of research for the last three decades. The ultimate aims of bioinformatics were to store and manage the biological data, and develop and analyze computational tools to enhance their understanding. The size of data accumulated under various sequencing projects is increasing exponentially, which presents difficulties for the experimental methods. To reduce the gap between newly sequenced protein and proteins with known functions, many computational techniques involving classification and clustering algorithms were proposed in the past. The classification of protein sequences into existing superfamilies is helpful in predicting the structure and function of large amount of newly discovered proteins. The existing classification results are unsatisfactory due to a huge size of features obtained through various feature encoding methods. In this work, a statistical metric-based feature selection technique has been proposed in order to reduce the size of the extracted feature vector. The proposed method of protein classification shows significant improvement in terms of performance measure metrics: accuracy, sensitivity, specificity, recall, F-measure, and so forth. PMID:25045727

Further studies using matched filter theory and stochastic simulation for gust loads prediction

NASA Technical Reports Server (NTRS)

Scott, Robert C.; Pototzky, Anthony S.; Perry, Boyd Iii

1993-01-01

This paper describes two analysis methods -- one deterministic, the other stochastic -- for computing maximized and time-correlated gust loads for aircraft with nonlinear control systems. The first method is based on matched filter theory; the second is based on stochastic simulation. The paper summarizes the methods, discusses the selection of gust intensity for each method and presents numerical results. A strong similarity between the results from the two methods is seen to exist for both linear and nonlinear configurations.

Fast frequency domain method to detect skew in a document image

NASA Astrophysics Data System (ADS)

Mehta, Sunita; Walia, Ekta; Dutta, Maitreyee

2015-12-01

In this paper, a new fast frequency domain method based on Discrete Wavelet Transform and Fast Fourier Transform has been implemented for the determination of the skew angle in a document image. Firstly, image size reduction is done by using two-dimensional Discrete Wavelet Transform and then skew angle is computed using Fast Fourier Transform. Skew angle error is almost negligible. The proposed method is experimented using a large number of documents having skew between -90° and +90° and results are compared with Moments with Discrete Wavelet Transform method and other commonly used existing methods. It has been determined that this method works more efficiently than the existing methods. Also, it works with typed, picture documents having different fonts and resolutions. It overcomes the drawback of the recently proposed method of Moments with Discrete Wavelet Transform that does not work with picture documents.

Computational Relativistic Astrophysics Using the Flow Field-Dependent Variation Theory

NASA Technical Reports Server (NTRS)

Richardson, G. A.; Chung, T. J.

2002-01-01

We present our method for solving general relativistic nonideal hydrodynamics. Relativistic effects become pronounced in such cases as jet formation from black hole magnetized accretion disks which may lead to the study of gamma-ray bursts. Nonideal flows are present where radiation, magnetic forces, viscosities, and turbulence play an important role. 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 flow field-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.

An effective chaos-geometric computational approach to analysis and prediction of evolutionary dynamics of the environmental systems: Atmospheric pollution dynamics

NASA Astrophysics Data System (ADS)

Buyadzhi, V. V.; Glushkov, A. V.; Khetselius, O. Yu; Bunyakova, Yu Ya; Florko, T. A.; Agayar, E. V.; Solyanikova, E. P.

2017-10-01

The present paper concerns the results of computational studying dynamics of the atmospheric pollutants (dioxide of nitrogen, sulphur etc) concentrations in an atmosphere of the industrial cities (Odessa) by using the dynamical systems and chaos theory methods. A chaotic behaviour in the nitrogen dioxide and sulphurous anhydride concentration time series at several sites of the Odessa city is numerically investigated. As usually, to reconstruct the corresponding attractor, the time delay and embedding dimension are needed. The former is determined by the methods of autocorrelation function and average mutual information, and the latter is calculated by means of a correlation dimension method and algorithm of false nearest neighbours. Further, the Lyapunov’s exponents spectrum, Kaplan-Yorke dimension and Kolmogorov entropy are computed. It has been found an existence of a low-D chaos in the time series of the atmospheric pollutants concentrations.

Radiative properties of flame-generated soot

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

Koeylue, U.O.; Faeth, G.M.

1993-05-01

Approximate methods for estimating the optical properties of flame-generated soot aggregates were evaluated using existing computer simulations and measurements in the visible and near-infrared portions of the spectrum. The following approximate methods were evaluated for both individual aggregates and polydisperse aggregate populations: the Rayleigh scattering approximation, Mie scattering for an equivalent sphere, and Rayleigh-Debye-Gans (R-D-G) scattering for both given and fractal aggregates. Results of computer simulations involved both prescribed aggregate geometry and numerically generated aggregates by cluster-cluster aggregation; multiple scattering was considered exactly using the mean-field approximation, and ignored using the R-D-G approximation. Measurements involved the angular scattering properties ofmore » soot in the postflame regions of both premixed and nonpremixed flames. The results show that available computer simulations and measurements of soot aggregate optical properties are not adequate to provide a definitive evaluation of the approximate prediction methods. 40 refs., 7 figs., 1 tab.« less

Interpolation Method Needed for Numerical Uncertainty

NASA Technical Reports Server (NTRS)

Groves, Curtis E.; Ilie, Marcel; Schallhorn, Paul A.

2014-01-01

Using Computational Fluid Dynamics (CFD) to predict a flow field is an approximation to the exact problem and uncertainties exist. There is a method to approximate the errors in CFD via Richardson's Extrapolation. This method is based off of progressive grid refinement. To estimate the errors, the analyst must interpolate between at least three grids. This paper describes a study to find an appropriate interpolation scheme that can be used in Richardson's extrapolation or other uncertainty method to approximate errors.

Evaluation and integration of existing methods for computational prediction of allergens

PubMed Central

2013-01-01

Background Allergy involves a series of complex reactions and factors that contribute to the development of the disease and triggering of the symptoms, including rhinitis, asthma, atopic eczema, skin sensitivity, even acute and fatal anaphylactic shock. Prediction and evaluation of the potential allergenicity is of importance for safety evaluation of foods and other environment factors. Although several computational approaches for assessing the potential allergenicity of proteins have been developed, their performance and relative merits and shortcomings have not been compared systematically. Results To evaluate and improve the existing methods for allergen prediction, we collected an up-to-date definitive dataset consisting of 989 known allergens and massive putative non-allergens. The three most widely used allergen computational prediction approaches including sequence-, motif- and SVM-based (Support Vector Machine) methods were systematically compared using the defined parameters and we found that SVM-based method outperformed the other two methods with higher accuracy and specificity. The sequence-based method with the criteria defined by FAO/WHO (FAO: Food and Agriculture Organization of the United Nations; WHO: World Health Organization) has higher sensitivity of over 98%, but having a low specificity. The advantage of motif-based method is the ability to visualize the key motif within the allergen. Notably, the performances of the sequence-based method defined by FAO/WHO and motif eliciting strategy could be improved by the optimization of parameters. To facilitate the allergen prediction, we integrated these three methods in a web-based application proAP, which provides the global search of the known allergens and a powerful tool for allergen predication. Flexible parameter setting and batch prediction were also implemented. The proAP can be accessed at http://gmobl.sjtu.edu.cn/proAP/main.html. Conclusions This study comprehensively evaluated sequence-, motif- and SVM-based computational prediction approaches for allergens and optimized their parameters to obtain better performance. These findings may provide helpful guidance for the researchers in allergen-prediction. Furthermore, we integrated these methods into a web application proAP, greatly facilitating users to do customizable allergen search and prediction. PMID:23514097

Evaluation and integration of existing methods for computational prediction of allergens.

PubMed

Wang, Jing; Yu, Yabin; Zhao, Yunan; Zhang, Dabing; Li, Jing

2013-01-01

Allergy involves a series of complex reactions and factors that contribute to the development of the disease and triggering of the symptoms, including rhinitis, asthma, atopic eczema, skin sensitivity, even acute and fatal anaphylactic shock. Prediction and evaluation of the potential allergenicity is of importance for safety evaluation of foods and other environment factors. Although several computational approaches for assessing the potential allergenicity of proteins have been developed, their performance and relative merits and shortcomings have not been compared systematically. To evaluate and improve the existing methods for allergen prediction, we collected an up-to-date definitive dataset consisting of 989 known allergens and massive putative non-allergens. The three most widely used allergen computational prediction approaches including sequence-, motif- and SVM-based (Support Vector Machine) methods were systematically compared using the defined parameters and we found that SVM-based method outperformed the other two methods with higher accuracy and specificity. The sequence-based method with the criteria defined by FAO/WHO (FAO: Food and Agriculture Organization of the United Nations; WHO: World Health Organization) has higher sensitivity of over 98%, but having a low specificity. The advantage of motif-based method is the ability to visualize the key motif within the allergen. Notably, the performances of the sequence-based method defined by FAO/WHO and motif eliciting strategy could be improved by the optimization of parameters. To facilitate the allergen prediction, we integrated these three methods in a web-based application proAP, which provides the global search of the known allergens and a powerful tool for allergen predication. Flexible parameter setting and batch prediction were also implemented. The proAP can be accessed at http://gmobl.sjtu.edu.cn/proAP/main.html. This study comprehensively evaluated sequence-, motif- and SVM-based computational prediction approaches for allergens and optimized their parameters to obtain better performance. These findings may provide helpful guidance for the researchers in allergen-prediction. Furthermore, we integrated these methods into a web application proAP, greatly facilitating users to do customizable allergen search and prediction.

Construction of Expert Knowledge Monitoring and Assessment System Based on Integral Method of Knowledge Evaluation

ERIC Educational Resources Information Center

Golovachyova, Viktoriya N.; Menlibekova, Gulbakhyt Zh.; Abayeva, Nella F.; Ten, Tatyana L.; Kogaya, Galina D.

2016-01-01

Using computer-based monitoring systems that rely on tests could be the most effective way of knowledge evaluation. The problem of objective knowledge assessment by means of testing takes on a new dimension in the context of new paradigms in education. The analysis of the existing test methods enabled us to conclude that tests with selected…

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

NASA Astrophysics Data System (ADS)

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

2013-12-01

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

Link-Based Similarity Measures Using Reachability Vectors

PubMed Central

Yoon, Seok-Ho; Kim, Ji-Soo; Ryu, Minsoo; Choi, Ho-Jin

2014-01-01

We present a novel approach for computing link-based similarities among objects accurately by utilizing the link information pertaining to the objects involved. We discuss the problems with previous link-based similarity measures and propose a novel approach for computing link based similarities that does not suffer from these problems. In the proposed approach each target object is represented by a vector. Each element of the vector corresponds to all the objects in the given data, and the value of each element denotes the weight for the corresponding object. As for this weight value, we propose to utilize the probability of reaching from the target object to the specific object, computed using the “Random Walk with Restart” strategy. Then, we define the similarity between two objects as the cosine similarity of the two vectors. In this paper, we provide examples to show that our approach does not suffer from the aforementioned problems. We also evaluate the performance of the proposed methods in comparison with existing link-based measures, qualitatively and quantitatively, with respect to two kinds of data sets, scientific papers and Web documents. Our experimental results indicate that the proposed methods significantly outperform the existing measures. PMID:24701188

Exploring Effective Decision Making through Human-Centered and Computational Intelligence Methods

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

Han, Kyungsik; Cook, Kristin A.; Shih, Patrick C.

Decision-making has long been studied to understand a psychological, cognitive, and social process of selecting an effective choice from alternative options. Its studies have been extended from a personal level to a group and collaborative level, and many computer-aided decision-making systems have been developed to help people make right decisions. There has been significant research growth in computational aspects of decision-making systems, yet comparatively little effort has existed in identifying and articulating user needs and requirements in assessing system outputs and the extent to which human judgments could be utilized for making accurate and reliable decisions. Our research focus ismore » decision-making through human-centered and computational intelligence methods in a collaborative environment, and the objectives of this position paper are to bring our research ideas to the workshop, and share and discuss ideas.« less

Precision digital control systems

NASA Astrophysics Data System (ADS)

Vyskub, V. G.; Rozov, B. S.; Savelev, V. I.

This book is concerned with the characteristics of digital control systems of great accuracy. A classification of such systems is considered along with aspects of stabilization, programmable control applications, digital tracking systems and servomechanisms, and precision systems for the control of a scanning laser beam. Other topics explored are related to systems of proportional control, linear devices and methods for increasing precision, approaches for further decreasing the response time in the case of high-speed operation, possibilities for the implementation of a logical control law, and methods for the study of precision digital control systems. A description is presented of precision automatic control systems which make use of electronic computers, taking into account the existing possibilities for an employment of computers in automatic control systems, approaches and studies required for including a computer in such control systems, and an analysis of the structure of automatic control systems with computers. Attention is also given to functional blocks in the considered systems.

The science of visual analysis at extreme scale

NASA Astrophysics Data System (ADS)

Nowell, Lucy T.

2011-01-01

Driven by market forces and spanning the full spectrum of computational devices, computer architectures are changing in ways that present tremendous opportunities and challenges for data analysis and visual analytic technologies. Leadership-class high performance computing system will have as many as a million cores by 2020 and support 10 billion-way concurrency, while laptop computers are expected to have as many as 1,000 cores by 2015. At the same time, data of all types are increasing exponentially and automated analytic methods are essential for all disciplines. Many existing analytic technologies do not scale to make full use of current platforms and fewer still are likely to scale to the systems that will be operational by the end of this decade. Furthermore, on the new architectures and for data at extreme scales, validating the accuracy and effectiveness of analytic methods, including visual analysis, will be increasingly important.

Advanced Communication Techniques

DTIC Science & Technology

1988-07-01

networks with different structures have been developed. In some networks, stations (i.e., computers and/or their peripherals, such as printers , etc.) are...existence of codes which exceed the Gilbert- Varsharmov bound as demonstrated by Tafasman, Vladut, and Zink . Geometric methods will then be used to analyze

Gaussian mixture model based identification of arterial wall movement for computation of distension waveform.

PubMed

Patil, Ravindra B; Krishnamoorthy, P; Sethuraman, Shriram

2015-01-01

This work proposes a novel Gaussian Mixture Model (GMM) based approach for accurate tracking of the arterial wall and subsequent computation of the distension waveform using Radio Frequency (RF) ultrasound signal. The approach was evaluated on ultrasound RF data acquired using a prototype ultrasound system from an artery mimicking flow phantom. The effectiveness of the proposed algorithm is demonstrated by comparing with existing wall tracking algorithms. The experimental results show that the proposed method provides 20% reduction in the error margin compared to the existing approaches in tracking the arterial wall movement. This approach coupled with ultrasound system can be used to estimate the arterial compliance parameters required for screening of cardiovascular related disorders.

CFD-Predicted Tile Heating Bump Factors Due to Tile Overlay Repairs

NASA Technical Reports Server (NTRS)

Lessard, Victor R.

2006-01-01

A Computational Fluid Dynamics investigation of the Orbiter's Tile Overlay Repair (TOR) is performed to assess the aeroheating Damage Assessment Team's (DAT) existing heating correlation method for protuberance interference heating on the surrounding thermal protection system. Aerothermodynamic heating analyses are performed for TORs at the design reference damage locations body points 1800 and 1075 for a Mach 17.9 and a=39deg STS-107 flight trajectory point with laminar flow. Six different cases are considered. The computed peak heating bump factor on the surrounding tiles are below the DAT's heating bump factor values for smooth tile cases. However, for the uneven tiles cases the peak interference heating is shown to be considerably higher than the existing correlation prediction.

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.

Krylov-Subspace Recycling via the POD-Augmented Conjugate-Gradient Method

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

Carlberg, Kevin; Forstall, Virginia; Tuminaro, Ray

This paper presents a new Krylov-subspace-recycling method for efficiently solving sequences of linear systems of equations characterized by varying right-hand sides and symmetric-positive-definite matrices. As opposed to typical truncation strategies used in recycling such as deflation, we propose a truncation method inspired by goal-oriented proper orthogonal decomposition (POD) from model reduction. This idea is based on the observation that model reduction aims to compute a low-dimensional subspace that contains an accurate solution; as such, we expect the proposed method to generate a low-dimensional subspace that is well suited for computing solutions that can satisfy inexact tolerances. In particular, we proposemore » specific goal-oriented POD `ingredients' that align the optimality properties of POD with the objective of Krylov-subspace recycling. To compute solutions in the resulting 'augmented' POD subspace, we propose a hybrid direct/iterative three-stage method that leverages 1) the optimal ordering of POD basis vectors, and 2) well-conditioned reduced matrices. Numerical experiments performed on solid-mechanics problems highlight the benefits of the proposed method over existing approaches for Krylov-subspace recycling.« less

Krylov-Subspace Recycling via the POD-Augmented Conjugate-Gradient Method

DOE PAGES

Carlberg, Kevin; Forstall, Virginia; Tuminaro, Ray

2016-01-01

This paper presents a new Krylov-subspace-recycling method for efficiently solving sequences of linear systems of equations characterized by varying right-hand sides and symmetric-positive-definite matrices. As opposed to typical truncation strategies used in recycling such as deflation, we propose a truncation method inspired by goal-oriented proper orthogonal decomposition (POD) from model reduction. This idea is based on the observation that model reduction aims to compute a low-dimensional subspace that contains an accurate solution; as such, we expect the proposed method to generate a low-dimensional subspace that is well suited for computing solutions that can satisfy inexact tolerances. In particular, we proposemore » specific goal-oriented POD `ingredients' that align the optimality properties of POD with the objective of Krylov-subspace recycling. To compute solutions in the resulting 'augmented' POD subspace, we propose a hybrid direct/iterative three-stage method that leverages 1) the optimal ordering of POD basis vectors, and 2) well-conditioned reduced matrices. Numerical experiments performed on solid-mechanics problems highlight the benefits of the proposed method over existing approaches for Krylov-subspace recycling.« less

Rapid Structured Volume Grid Smoothing and Adaption Technique

NASA Technical Reports Server (NTRS)

Alter, Stephen J.

2006-01-01

A rapid, structured volume grid smoothing and adaption technique, based on signal processing methods, was developed and applied to the Shuttle Orbiter at hypervelocity flight conditions in support of the Columbia Accident Investigation. Because of the fast pace of the investigation, computational aerothermodynamicists, applying hypersonic viscous flow solving computational fluid dynamic (CFD) codes, refined and enhanced a grid for an undamaged baseline vehicle to assess a variety of damage scenarios. Of the many methods available to modify a structured grid, most are time-consuming and require significant user interaction. By casting the grid data into different coordinate systems, specifically two computational coordinates with arclength as the third coordinate, signal processing methods are used for filtering the data [Taubin, CG v/29 1995]. Using a reverse transformation, the processed data are used to smooth the Cartesian coordinates of the structured grids. By coupling the signal processing method with existing grid operations within the Volume Grid Manipulator tool, problems related to grid smoothing are solved efficiently and with minimal user interaction. Examples of these smoothing operations are illustrated for reductions in grid stretching and volume grid adaptation. In each of these examples, other techniques existed at the time of the Columbia accident, but the incorporation of signal processing techniques reduced the time to perform the corrections by nearly 60%. This reduction in time to perform the corrections therefore enabled the assessment of approximately twice the number of damage scenarios than previously possible during the allocated investigation time.

Rapid Structured Volume Grid Smoothing and Adaption Technique

NASA Technical Reports Server (NTRS)

Alter, Stephen J.

2004-01-01

A rapid, structured volume grid smoothing and adaption technique, based on signal processing methods, was developed and applied to the Shuttle Orbiter at hypervelocity flight conditions in support of the Columbia Accident Investigation. Because of the fast pace of the investigation, computational aerothermodynamicists, applying hypersonic viscous flow solving computational fluid dynamic (CFD) codes, refined and enhanced a grid for an undamaged baseline vehicle to assess a variety of damage scenarios. Of the many methods available to modify a structured grid, most are time-consuming and require significant user interaction. By casting the grid data into different coordinate systems, specifically two computational coordinates with arclength as the third coordinate, signal processing methods are used for filtering the data [Taubin, CG v/29 1995]. Using a reverse transformation, the processed data are used to smooth the Cartesian coordinates of the structured grids. By coupling the signal processing method with existing grid operations within the Volume Grid Manipulator tool, problems related to grid smoothing are solved efficiently and with minimal user interaction. Examples of these smoothing operations are illustrated for reduction in grid stretching and volume grid adaptation. In each of these examples, other techniques existed at the time of the Columbia accident, but the incorporation of signal processing techniques reduced the time to perform the corrections by nearly 60%. This reduction in time to perform the corrections therefore enabled the assessment of approximately twice the number of damage scenarios than previously possible during the allocated investigation time.

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

DOE PAGES

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

2017-03-01

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

The NCOREL computer program for 3D nonlinear supersonic potential flow computations

NASA Technical Reports Server (NTRS)

Siclari, M. J.

1983-01-01

An innovative computational technique (NCOREL) was established for the treatment of three dimensional supersonic flows. The method is nonlinear in that it solves the nonconservative finite difference analog of the full potential equation and can predict the formation of supercritical cross flow regions, embedded and bow shocks. The method implicitly computes a conical flow at the apex (R = 0) of a spherical coordinate system and uses a fully implicit marching technique to obtain three dimensional cross flow solutions. This implies that the radial Mach number must remain supersonic. The cross flow solutions are obtained by using type dependent transonic relaxation techniques with the type dependency linked to the character of the cross flow velocity (i.e., subsonic/supersonic). The spherical coordinate system and marching on spherical surfaces is ideally suited to the computation of wing flows at low supersonic Mach numbers due to the elimination of the subsonic axial Mach number problems that exist in other marching codes that utilize Cartesian transverse marching planes.

An accurate and efficient reliability-based design optimization using the second order reliability method and improved stability transformation method

NASA Astrophysics Data System (ADS)

Meng, Zeng; Yang, Dixiong; Zhou, Huanlin; Yu, Bo

2018-05-01

The first order reliability method has been extensively adopted for reliability-based design optimization (RBDO), but it shows inaccuracy in calculating the failure probability with highly nonlinear performance functions. Thus, the second order reliability method is required to evaluate the reliability accurately. However, its application for RBDO is quite challenge owing to the expensive computational cost incurred by the repeated reliability evaluation and Hessian calculation of probabilistic constraints. In this article, a new improved stability transformation method is proposed to search the most probable point efficiently, and the Hessian matrix is calculated by the symmetric rank-one update. The computational capability of the proposed method is illustrated and compared to the existing RBDO approaches through three mathematical and two engineering examples. The comparison results indicate that the proposed method is very efficient and accurate, providing an alternative tool for RBDO of engineering structures.

Making Cloud Computing Available For Researchers and Innovators (Invited)

NASA Astrophysics Data System (ADS)

Winsor, R.

2010-12-01

High Performance Computing (HPC) facilities exist in most academic institutions but are almost invariably over-subscribed. Access is allocated based on academic merit, the only practical method of assigning valuable finite compute resources. Cloud computing on the other hand, and particularly commercial clouds, draw flexibly on an almost limitless resource as long as the user has sufficient funds to pay the bill. How can the commercial cloud model be applied to scientific computing? Is there a case to be made for a publicly available research cloud and how would it be structured? This talk will explore these themes and describe how Cybera, a not-for-profit non-governmental organization in Alberta Canada, aims to leverage its high speed research and education network to provide cloud computing facilities for a much wider user base.

Efficient stabilization and acceleration of numerical simulation of fluid flows by residual recombination

NASA Astrophysics Data System (ADS)

Citro, V.; Luchini, P.; Giannetti, F.; Auteri, F.

2017-09-01

The study of the stability of a dynamical system described by a set of partial differential equations (PDEs) requires the computation of unstable states as the control parameter exceeds its critical threshold. Unfortunately, the discretization of the governing equations, especially for fluid dynamic applications, often leads to very large discrete systems. As a consequence, matrix based methods, like for example the Newton-Raphson algorithm coupled with a direct inversion of the Jacobian matrix, lead to computational costs too large in terms of both memory and execution time. We present a novel iterative algorithm, inspired by Krylov-subspace methods, which is able to compute unstable steady states and/or accelerate the convergence to stable configurations. Our new algorithm is based on the minimization of the residual norm at each iteration step with a projection basis updated at each iteration rather than at periodic restarts like in the classical GMRES method. The algorithm is able to stabilize any dynamical system without increasing the computational time of the original numerical procedure used to solve the governing equations. Moreover, it can be easily inserted into a pre-existing relaxation (integration) procedure with a call to a single black-box subroutine. The procedure is discussed for problems of different sizes, ranging from a small two-dimensional system to a large three-dimensional problem involving the Navier-Stokes equations. We show that the proposed algorithm is able to improve the convergence of existing iterative schemes. In particular, the procedure is applied to the subcritical flow inside a lid-driven cavity. We also discuss the application of Boostconv to compute the unstable steady flow past a fixed circular cylinder (2D) and boundary-layer flow over a hemispherical roughness element (3D) for supercritical values of the Reynolds number. We show that Boostconv can be used effectively with any spatial discretization, be it a finite-difference, finite-volume, finite-element or spectral method.

Computation of three-dimensional nozzle-exhaust flow fields with the GIM code

NASA Technical Reports Server (NTRS)

Spradley, L. W.; Anderson, P. G.

1978-01-01

A methodology is introduced for constructing numerical analogs of the partial differential equations of continuum mechanics. A general formulation is provided which permits classical finite element and many of the finite difference methods to be derived directly. The approach, termed the General Interpolants Method (GIM), can combined the best features of finite element and finite difference methods. A quasi-variational procedure is used to formulate the element equations, to introduce boundary conditions into the method and to provide a natural assembly sequence. A derivation is given in terms of general interpolation functions from this procedure. Example computations for transonic and supersonic flows in two and three dimensions are given to illustrate the utility of GIM. A three-dimensional nozzle-exhaust flow field is solved including interaction with the freestream and a coupled treatment of the shear layer. Potential applications of the GIM code to a variety of computational fluid dynamics problems is then discussed in terms of existing capability or by extension of the methodology.

Reliability enhancement of Navier-Stokes codes through convergence enhancement

NASA Technical Reports Server (NTRS)

Choi, K.-Y.; Dulikravich, G. S.

1993-01-01

Reduction of total computing time required by an iterative algorithm for solving Navier-Stokes equations is an important aspect of making the existing and future analysis codes more cost effective. Several attempts have been made to accelerate the convergence of an explicit Runge-Kutta time-stepping algorithm. These acceleration methods are based on local time stepping, implicit residual smoothing, enthalpy damping, and multigrid techniques. Also, an extrapolation procedure based on the power method and the Minimal Residual Method (MRM) were applied to the Jameson's multigrid algorithm. The MRM uses same values of optimal weights for the corrections to every equation in a system and has not been shown to accelerate the scheme without multigriding. Our Distributed Minimal Residual (DMR) method based on our General Nonlinear Minimal Residual (GNLMR) method allows each component of the solution vector in a system of equations to have its own convergence speed. The DMR method was found capable of reducing the computation time by 10-75 percent depending on the test case and grid used. Recently, we have developed and tested a new method termed Sensitivity Based DMR or SBMR method that is easier to implement in different codes and is even more robust and computationally efficient than our DMR method.

Reliability enhancement of Navier-Stokes codes through convergence enhancement

NASA Astrophysics Data System (ADS)

Choi, K.-Y.; Dulikravich, G. S.

1993-11-01

Reduction of total computing time required by an iterative algorithm for solving Navier-Stokes equations is an important aspect of making the existing and future analysis codes more cost effective. Several attempts have been made to accelerate the convergence of an explicit Runge-Kutta time-stepping algorithm. These acceleration methods are based on local time stepping, implicit residual smoothing, enthalpy damping, and multigrid techniques. Also, an extrapolation procedure based on the power method and the Minimal Residual Method (MRM) were applied to the Jameson's multigrid algorithm. The MRM uses same values of optimal weights for the corrections to every equation in a system and has not been shown to accelerate the scheme without multigriding. Our Distributed Minimal Residual (DMR) method based on our General Nonlinear Minimal Residual (GNLMR) method allows each component of the solution vector in a system of equations to have its own convergence speed. The DMR method was found capable of reducing the computation time by 10-75 percent depending on the test case and grid used. Recently, we have developed and tested a new method termed Sensitivity Based DMR or SBMR method that is easier to implement in different codes and is even more robust and computationally efficient than our DMR method.

Towards an Approach of Semantic Access Control for Cloud Computing

NASA Astrophysics Data System (ADS)

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

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

Use of CYBER 203 and CYBER 205 computers for three-dimensional transonic flow calculations

NASA Technical Reports Server (NTRS)

Melson, N. D.; Keller, J. D.

1983-01-01

Experiences are discussed for modifying two three-dimensional transonic flow computer programs (FLO 22 and FLO 27) for use on the CDC CYBER 203 computer system. Both programs were originally written for use on serial machines. Several methods were attempted to optimize the execution of the two programs on the vector machine: leaving the program in a scalar form (i.e., serial computation) with compiler software used to optimize and vectorize the program, vectorizing parts of the existing algorithm in the program, and incorporating a vectorizable algorithm (ZEBRA I or ZEBRA II) in the program. Comparison runs of the programs were made on CDC CYBER 175. CYBER 203, and two pipe CDC CYBER 205 computer systems.

$n$ -Dimensional Discrete Cat Map Generation Using Laplace Expansions.

PubMed

Wu, Yue; Hua, Zhongyun; Zhou, Yicong

2016-11-01

Different from existing methods that use matrix multiplications and have high computation complexity, this paper proposes an efficient generation method of n -dimensional ( [Formula: see text]) Cat maps using Laplace expansions. New parameters are also introduced to control the spatial configurations of the [Formula: see text] Cat matrix. Thus, the proposed method provides an efficient way to mix dynamics of all dimensions at one time. To investigate its implementations and applications, we further introduce a fast implementation algorithm of the proposed method with time complexity O(n 4 ) and a pseudorandom number generator using the Cat map generated by the proposed method. The experimental results show that, compared with existing generation methods, the proposed method has a larger parameter space and simpler algorithm complexity, generates [Formula: see text] Cat matrices with a lower inner correlation, and thus yields more random and unpredictable outputs of [Formula: see text] Cat maps.

The research of computer multimedia assistant in college English listening

NASA Astrophysics Data System (ADS)

Zhang, Qian

2012-04-01

With the technology development of network information, there exists more and more seriously questions to our education. Computer multimedia application breaks the traditional foreign language teaching and brings new challenges and opportunities for the education. Through the multiple media application, the teaching process is full of animation, image, voice, and characters. This can improve the learning initiative and objective with great development of learning efficiency. During the traditional foreign language teaching, people use characters learning. However, through this method, the theory performance is good but the practical application is low. During the long time computer multimedia application in the foreign language teaching, many teachers still have prejudice. Therefore, the method is not obtaining the effect. After all the above, the research has significant meaning for improving the teaching quality of foreign language.

Improved Measures of Integrated Information

PubMed Central

Tegmark, Max

2016-01-01

Although there is growing interest in measuring integrated information in computational and cognitive systems, current methods for doing so in practice are computationally unfeasible. Existing and novel integration measures are investigated and classified by various desirable properties. A simple taxonomy of Φ-measures is presented where they are each characterized by their choice of factorization method (5 options), choice of probability distributions to compare (3 × 4 options) and choice of measure for comparing probability distributions (7 options). When requiring the Φ-measures to satisfy a minimum of attractive properties, these hundreds of options reduce to a mere handful, some of which turn out to be identical. Useful exact and approximate formulas are derived that can be applied to real-world data from laboratory experiments without posing unreasonable computational demands. PMID:27870846

Development of a defect stream function, law of the wall/wake method for compressible turbulent boundary layers. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Wahls, Richard A.

1990-01-01

The method presented is designed to improve the accuracy and computational efficiency of existing numerical methods for the solution of flows with compressible turbulent boundary layers. A compressible defect stream function formulation of the governing equations assuming an arbitrary turbulence model is derived. This formulation is advantageous because it has a constrained zero-order approximation with respect to the wall shear stress and the tangential momentum equation has a first integral. Previous problems with this type of formulation near the wall are eliminated by using empirically based analytic expressions to define the flow near the wall. The van Driest law of the wall for velocity and the modified Crocco temperature-velocity relationship are used. The associated compressible law of the wake is determined and it extends the valid range of the analytical expressions beyond the logarithmic region of the boundary layer. The need for an inner-region eddy viscosity model is completely avoided. The near-wall analytic expressions are patched to numerically computed outer region solutions at a point determined during the computation. A new boundary condition on the normal derivative of the tangential velocity at the surface is presented; this condition replaces the no-slip condition and enables numerical integration to the surface with a relatively coarse grid using only an outer region turbulence model. The method was evaluated for incompressible and compressible equilibrium flows and was implemented into an existing Navier-Stokes code using the assumption of local equilibrium flow with respect to the patching. The method has proven to be accurate and efficient.

THE DYNAMICS OF MERGING CLUSTERS: A MONTE CARLO SOLUTION APPLIED TO THE BULLET AND MUSKET BALL CLUSTERS

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

Dawson, William A., E-mail: wadawson@ucdavis.edu

2013-08-01

Merging galaxy clusters have become one of the most important probes of dark matter, providing evidence for dark matter over modified gravity and even constraints on the dark matter self-interaction cross-section. To properly constrain the dark matter cross-section it is necessary to understand the dynamics of the merger, as the inferred cross-section is a function of both the velocity of the collision and the observed time since collision. While the best understanding of merging system dynamics comes from N-body simulations, these are computationally intensive and often explore only a limited volume of the merger phase space allowed by observed parametermore » uncertainty. Simple analytic models exist but the assumptions of these methods invalidate their results near the collision time, plus error propagation of the highly correlated merger parameters is unfeasible. To address these weaknesses I develop a Monte Carlo method to discern the properties of dissociative mergers and propagate the uncertainty of the measured cluster parameters in an accurate and Bayesian manner. I introduce this method, verify it against an existing hydrodynamic N-body simulation, and apply it to two known dissociative mergers: 1ES 0657-558 (Bullet Cluster) and DLSCL J0916.2+2951 (Musket Ball Cluster). I find that this method surpasses existing analytic models-providing accurate (10% level) dynamic parameter and uncertainty estimates throughout the merger history. This, coupled with minimal required a priori information (subcluster mass, redshift, and projected separation) and relatively fast computation ({approx}6 CPU hours), makes this method ideal for large samples of dissociative merging clusters.« less

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

DTIC Science & Technology

2017-12-01

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

CNN-BLPred: a Convolutional neural network based predictor for β-Lactamases (BL) and their classes.

PubMed

White, Clarence; Ismail, Hamid D; Saigo, Hiroto; Kc, Dukka B

2017-12-28

The β-Lactamase (BL) enzyme family is an important class of enzymes that plays a key role in bacterial resistance to antibiotics. As the newly identified number of BL enzymes is increasing daily, it is imperative to develop a computational tool to classify the newly identified BL enzymes into one of its classes. There are two types of classification of BL enzymes: Molecular Classification and Functional Classification. Existing computational methods only address Molecular Classification and the performance of these existing methods is unsatisfactory. We addressed the unsatisfactory performance of the existing methods by implementing a Deep Learning approach called Convolutional Neural Network (CNN). We developed CNN-BLPred, an approach for the classification of BL proteins. The CNN-BLPred uses Gradient Boosted Feature Selection (GBFS) in order to select the ideal feature set for each BL classification. Based on the rigorous benchmarking of CCN-BLPred using both leave-one-out cross-validation and independent test sets, CCN-BLPred performed better than the other existing algorithms. Compared with other architectures of CNN, Recurrent Neural Network, and Random Forest, the simple CNN architecture with only one convolutional layer performs the best. After feature extraction, we were able to remove ~95% of the 10,912 features using Gradient Boosted Trees. During 10-fold cross validation, we increased the accuracy of the classic BL predictions by 7%. We also increased the accuracy of Class A, Class B, Class C, and Class D performance by an average of 25.64%. The independent test results followed a similar trend. We implemented a deep learning algorithm known as Convolutional Neural Network (CNN) to develop a classifier for BL classification. Combined with feature selection on an exhaustive feature set and using balancing method such as Random Oversampling (ROS), Random Undersampling (RUS) and Synthetic Minority Oversampling Technique (SMOTE), CNN-BLPred performs significantly better than existing algorithms for BL classification.

n-body simulations using message passing parallel computers.

NASA Astrophysics Data System (ADS)

Grama, A. Y.; Kumar, V.; Sameh, A.

The authors present new parallel formulations of the Barnes-Hut method for n-body simulations on message passing computers. These parallel formulations partition the domain efficiently incurring minimal communication overhead. This is in contrast to existing schemes that are based on sorting a large number of keys or on the use of global data structures. The new formulations are augmented by alternate communication strategies which serve to minimize communication overhead. The impact of these communication strategies is experimentally studied. The authors report on experimental results obtained from an astrophysical simulation on an nCUBE2 parallel computer.

Computational prediction of chemical reactions: current status and outlook.

PubMed

Engkvist, Ola; Norrby, Per-Ola; Selmi, Nidhal; Lam, Yu-Hong; Peng, Zhengwei; Sherer, Edward C; Amberg, Willi; Erhard, Thomas; Smyth, Lynette A

2018-06-01

Over the past few decades, various computational methods have become increasingly important for discovering and developing novel drugs. Computational prediction of chemical reactions is a key part of an efficient drug discovery process. In this review, we discuss important parts of this field, with a focus on utilizing reaction data to build predictive models, the existing programs for synthesis prediction, and usage of quantum mechanics and molecular mechanics (QM/MM) to explore chemical reactions. We also outline potential future developments with an emphasis on pre-competitive collaboration opportunities. Copyright © 2018 Elsevier Ltd. All rights reserved.

Unconstrained and contactless hand geometry biometrics.

PubMed

de-Santos-Sierra, Alberto; Sánchez-Ávila, Carmen; Del Pozo, Gonzalo Bailador; Guerra-Casanova, Javier

2011-01-01

This paper presents a hand biometric system for contact-less, platform-free scenarios, proposing innovative methods in feature extraction, template creation and template matching. The evaluation of the proposed method considers both the use of three contact-less publicly available hand databases, and the comparison of the performance to two competitive pattern recognition techniques existing in literature: namely support vector machines (SVM) and k-nearest neighbour (k-NN). Results highlight the fact that the proposed method outcomes existing approaches in literature in terms of computational cost, accuracy in human identification, number of extracted features and number of samples for template creation. The proposed method is a suitable solution for human identification in contact-less scenarios based on hand biometrics, providing a feasible solution to devices with limited hardware requirements like mobile devices.

Unconstrained and Contactless Hand Geometry Biometrics

PubMed Central

de-Santos-Sierra, Alberto; Sánchez-Ávila, Carmen; del Pozo, Gonzalo Bailador; Guerra-Casanova, Javier

2011-01-01

This paper presents a hand biometric system for contact-less, platform-free scenarios, proposing innovative methods in feature extraction, template creation and template matching. The evaluation of the proposed method considers both the use of three contact-less publicly available hand databases, and the comparison of the performance to two competitive pattern recognition techniques existing in literature: namely Support Vector Machines (SVM) and k-Nearest Neighbour (k-NN). Results highlight the fact that the proposed method outcomes existing approaches in literature in terms of computational cost, accuracy in human identification, number of extracted features and number of samples for template creation. The proposed method is a suitable solution for human identification in contact-less scenarios based on hand biometrics, providing a feasible solution to devices with limited hardware requirements like mobile devices. PMID:22346634

Embedded WENO: A design strategy to improve existing WENO schemes

NASA Astrophysics Data System (ADS)

van Lith, Bart S.; ten Thije Boonkkamp, Jan H. M.; IJzerman, Wilbert L.

2017-02-01

Embedded WENO methods utilise all adjacent smooth substencils to construct a desirable interpolation. Conventional WENO schemes under-use this possibility close to large gradients or discontinuities. We develop a general approach for constructing embedded versions of existing WENO schemes. Embedded methods based on the WENO schemes of Jiang and Shu [1] and on the WENO-Z scheme of Borges et al. [2] are explicitly constructed. Several possible choices are presented that result in either better spectral properties or a higher order of convergence for sufficiently smooth solutions. However, these improvements carry over to discontinuous solutions. The embedded methods are demonstrated to be indeed improvements over their standard counterparts by several numerical examples. All the embedded methods presented have no added computational effort compared to their standard counterparts.

Computational ecology as an emerging science

PubMed Central

Petrovskii, Sergei; Petrovskaya, Natalia

2012-01-01

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

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

PubMed Central

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

2014-01-01

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

PageRank as a method to rank biomedical literature by importance.

PubMed

Yates, Elliot J; Dixon, Louise C

2015-01-01

Optimal ranking of literature importance is vital in overcoming article overload. Existing ranking methods are typically based on raw citation counts, giving a sum of 'inbound' links with no consideration of citation importance. PageRank, an algorithm originally developed for ranking webpages at the search engine, Google, could potentially be adapted to bibliometrics to quantify the relative importance weightings of a citation network. This article seeks to validate such an approach on the freely available, PubMed Central open access subset (PMC-OAS) of biomedical literature. On-demand cloud computing infrastructure was used to extract a citation network from over 600,000 full-text PMC-OAS articles. PageRanks and citation counts were calculated for each node in this network. PageRank is highly correlated with citation count (R = 0.905, P < 0.01) and we thus validate the former as a surrogate of literature importance. Furthermore, the algorithm can be run in trivial time on cheap, commodity cluster hardware, lowering the barrier of entry for resource-limited open access organisations. PageRank can be trivially computed on commodity cluster hardware and is linearly correlated with citation count. Given its putative benefits in quantifying relative importance, we suggest it may enrich the citation network, thereby overcoming the existing inadequacy of citation counts alone. We thus suggest PageRank as a feasible supplement to, or replacement of, existing bibliometric ranking methods.

Fast Component Pursuit for Large-Scale Inverse Covariance Estimation.

PubMed

Han, Lei; Zhang, Yu; Zhang, Tong

2016-08-01

The maximum likelihood estimation (MLE) for the Gaussian graphical model, which is also known as the inverse covariance estimation problem, has gained increasing interest recently. Most existing works assume that inverse covariance estimators contain sparse structure and then construct models with the ℓ 1 regularization. In this paper, different from existing works, we study the inverse covariance estimation problem from another perspective by efficiently modeling the low-rank structure in the inverse covariance, which is assumed to be a combination of a low-rank part and a diagonal matrix. One motivation for this assumption is that the low-rank structure is common in many applications including the climate and financial analysis, and another one is that such assumption can reduce the computational complexity when computing its inverse. Specifically, we propose an efficient COmponent Pursuit (COP) method to obtain the low-rank part, where each component can be sparse. For optimization, the COP method greedily learns a rank-one component in each iteration by maximizing the log-likelihood. Moreover, the COP algorithm enjoys several appealing properties including the existence of an efficient solution in each iteration and the theoretical guarantee on the convergence of this greedy approach. Experiments on large-scale synthetic and real-world datasets including thousands of millions variables show that the COP method is faster than the state-of-the-art techniques for the inverse covariance estimation problem when achieving comparable log-likelihood on test data.

RELIABLE COMPUTATION OF HOMOGENEOUS AZEOTROPES. (R824731)

EPA Science Inventory

Abstract

It is important to determine the existence and composition of homogeneous azeotropes in the analysis of phase behavior and in the synthesis and design of separation systems, from both theoretical and practical standpoints. A new method for reliably locating an...

Cost and benefits design optimization model for fault tolerant flight control systems

NASA Technical Reports Server (NTRS)

Rose, J.

1982-01-01

Requirements and specifications for a method of optimizing the design of fault-tolerant flight control systems are provided. Algorithms that could be used for developing new and modifying existing computer programs are also provided, with recommendations for follow-on work.

34 CFR 388.22 - What priorities does the Secretary consider in making an award?

Code of Federal Regulations, 2011 CFR

2011-07-01

... education methods, such as interactive audio, video, computer technologies, or existing telecommunications... training materials and practices. The proposed project demonstrates an effective plan to develop and... programs by other State vocational rehabilitation units. (2) Distance education. The proposed project...

34 CFR 388.22 - What priorities does the Secretary consider in making an award?

Code of Federal Regulations, 2010 CFR

2010-07-01

... education methods, such as interactive audio, video, computer technologies, or existing telecommunications... training materials and practices. The proposed project demonstrates an effective plan to develop and... programs by other State vocational rehabilitation units. (2) Distance education. The proposed project...

34 CFR 388.22 - What priorities does the Secretary consider in making an award?

Code of Federal Regulations, 2014 CFR

2014-07-01

... education methods, such as interactive audio, video, computer technologies, or existing telecommunications... training materials and practices. The proposed project demonstrates an effective plan to develop and... programs by other State vocational rehabilitation units. (2) Distance education. The proposed project...

34 CFR 388.22 - What priorities does the Secretary consider in making an award?

Code of Federal Regulations, 2013 CFR

2013-07-01

... education methods, such as interactive audio, video, computer technologies, or existing telecommunications... training materials and practices. The proposed project demonstrates an effective plan to develop and... programs by other State vocational rehabilitation units. (2) Distance education. The proposed project...

34 CFR 388.22 - What priorities does the Secretary consider in making an award?

Code of Federal Regulations, 2012 CFR

2012-07-01

... education methods, such as interactive audio, video, computer technologies, or existing telecommunications... training materials and practices. The proposed project demonstrates an effective plan to develop and... programs by other State vocational rehabilitation units. (2) Distance education. The proposed project...

Numerical evaluation of mobile robot navigation in static indoor environment via EGAOR Iteration

NASA Astrophysics Data System (ADS)

Dahalan, A. A.; Saudi, A.; Sulaiman, J.; Din, W. R. W.

2017-09-01

One of the key issues in mobile robot navigation is the ability for the robot to move from an arbitrary start location to a specified goal location without colliding with any obstacles while traveling, also known as mobile robot path planning problem. In this paper, however, we examined the performance of a robust searching algorithm that relies on the use of harmonic potentials of the environment to generate smooth and safe path for mobile robot navigation in a static known indoor environment. The harmonic potentials will be discretized by using Laplacian’s operator to form a system of algebraic approximation equations. This algebraic linear system will be computed via 4-Point Explicit Group Accelerated Over-Relaxation (4-EGAOR) iterative method for rapid computation. The performance of the proposed algorithm will then be compared and analyzed against the existing algorithms in terms of number of iterations and execution time. The result shows that the proposed algorithm performed better than the existing methods.

Converting Static Image Datasets to Spiking Neuromorphic Datasets Using Saccades.

PubMed

Orchard, Garrick; Jayawant, Ajinkya; Cohen, Gregory K; Thakor, Nitish

2015-01-01

Creating datasets for Neuromorphic Vision is a challenging task. A lack of available recordings from Neuromorphic Vision sensors means that data must typically be recorded specifically for dataset creation rather than collecting and labeling existing data. The task is further complicated by a desire to simultaneously provide traditional frame-based recordings to allow for direct comparison with traditional Computer Vision algorithms. Here we propose a method for converting existing Computer Vision static image datasets into Neuromorphic Vision datasets using an actuated pan-tilt camera platform. Moving the sensor rather than the scene or image is a more biologically realistic approach to sensing and eliminates timing artifacts introduced by monitor updates when simulating motion on a computer monitor. We present conversion of two popular image datasets (MNIST and Caltech101) which have played important roles in the development of Computer Vision, and we provide performance metrics on these datasets using spike-based recognition algorithms. This work contributes datasets for future use in the field, as well as results from spike-based algorithms against which future works can compare. Furthermore, by converting datasets already popular in Computer Vision, we enable more direct comparison with frame-based approaches.

Computational Design of Materials: Planetary Entry to Electric Aircraft and Beyond

NASA Technical Reports Server (NTRS)

Thompson, Alexander; Lawson, John W.

2014-01-01

NASA's projects and missions push the bounds of what is possible. To support the agency's work, materials development must stay on the cutting edge in order to keep pace. Today, researchers at NASA Ames Research Center perform multiscale modeling to aid the development of new materials and provide insight into existing ones. Multiscale modeling enables researchers to determine micro- and macroscale properties by connecting computational methods ranging from the atomic level (density functional theory, molecular dynamics) to the macroscale (finite element method). The output of one level is passed on as input to the next level, creating a powerful predictive model.

Prediction of miRNA targets.

PubMed

Oulas, Anastasis; Karathanasis, Nestoras; Louloupi, Annita; Pavlopoulos, Georgios A; Poirazi, Panayiota; Kalantidis, Kriton; Iliopoulos, Ioannis

2015-01-01

Computational methods for miRNA target prediction are currently undergoing extensive review and evaluation. There is still a great need for improvement of these tools and bioinformatics approaches are looking towards high-throughput experiments in order to validate predictions. The combination of large-scale techniques with computational tools will not only provide greater credence to computational predictions but also lead to the better understanding of specific biological questions. Current miRNA target prediction tools utilize probabilistic learning algorithms, machine learning methods and even empirical biologically defined rules in order to build models based on experimentally verified miRNA targets. Large-scale protein downregulation assays and next-generation sequencing (NGS) are now being used to validate methodologies and compare the performance of existing tools. Tools that exhibit greater correlation between computational predictions and protein downregulation or RNA downregulation are considered the state of the art. Moreover, efficiency in prediction of miRNA targets that are concurrently verified experimentally provides additional validity to computational predictions and further highlights the competitive advantage of specific tools and their efficacy in extracting biologically significant results. In this review paper, we discuss the computational methods for miRNA target prediction and provide a detailed comparison of methodologies and features utilized by each specific tool. Moreover, we provide an overview of current state-of-the-art high-throughput methods used in miRNA target prediction.

Bifurcation Analysis Using Rigorous Branch and Bound Methods

NASA Technical Reports Server (NTRS)

Smith, Andrew P.; Crespo, Luis G.; Munoz, Cesar A.; Lowenberg, Mark H.

2014-01-01

For the study of nonlinear dynamic systems, it is important to locate the equilibria and bifurcations occurring within a specified computational domain. This paper proposes a new approach for solving these problems and compares it to the numerical continuation method. The new approach is based upon branch and bound and utilizes rigorous enclosure techniques to yield outer bounding sets of both the equilibrium and local bifurcation manifolds. These sets, which comprise the union of hyper-rectangles, can be made to be as tight as desired. Sufficient conditions for the existence of equilibrium and bifurcation points taking the form of algebraic inequality constraints in the state-parameter space are used to calculate their enclosures directly. The enclosures for the bifurcation sets can be computed independently of the equilibrium manifold, and are guaranteed to contain all solutions within the computational domain. A further advantage of this method is the ability to compute a near-maximally sized hyper-rectangle of high dimension centered at a fixed parameter-state point whose elements are guaranteed to exclude all bifurcation points. This hyper-rectangle, which requires a global description of the bifurcation manifold within the computational domain, cannot be obtained otherwise. A test case, based on the dynamics of a UAV subject to uncertain center of gravity location, is used to illustrate the efficacy of the method by comparing it with numerical continuation and to evaluate its computational complexity.

Highly efficient and exact method for parallelization of grid-based algorithms and its implementation in DelPhi

PubMed Central

Li, Chuan; Li, Lin; Zhang, Jie; Alexov, Emil

2012-01-01

The Gauss-Seidel method is a standard iterative numerical method widely used to solve a system of equations and, in general, is more efficient comparing to other iterative methods, such as the Jacobi method. However, standard implementation of the Gauss-Seidel method restricts its utilization in parallel computing due to its requirement of using updated neighboring values (i.e., in current iteration) as soon as they are available. Here we report an efficient and exact (not requiring assumptions) method to parallelize iterations and to reduce the computational time as a linear/nearly linear function of the number of CPUs. In contrast to other existing solutions, our method does not require any assumptions and is equally applicable for solving linear and nonlinear equations. This approach is implemented in the DelPhi program, which is a finite difference Poisson-Boltzmann equation solver to model electrostatics in molecular biology. This development makes the iterative procedure on obtaining the electrostatic potential distribution in the parallelized DelPhi several folds faster than that in the serial code. Further we demonstrate the advantages of the new parallelized DelPhi by computing the electrostatic potential and the corresponding energies of large supramolecular structures. PMID:22674480

Theory and computation of optimal low- and medium-thrust transfers

NASA Technical Reports Server (NTRS)

Chuang, C.-H.

1994-01-01

This report presents two numerical methods considered for the computation of fuel-optimal, low-thrust orbit transfers in large numbers of burns. The origins of these methods are observations made with the extremal solutions of transfers in small numbers of burns; there seems to exist a trend such that the longer the time allowed to perform an optimal transfer the less fuel that is used. These longer transfers are obviously of interest since they require a motor of low thrust; however, we also find a trend that the longer the time allowed to perform the optimal transfer the more burns are required to satisfy optimality. Unfortunately, this usually increases the difficulty of computation. Both of the methods described use small-numbered burn solutions to determine solutions in large numbers of burns. One method is a homotopy method that corrects for problems that arise when a solution requires a new burn or coast arc for optimality. The other method is to simply patch together long transfers from smaller ones. An orbit correction problem is solved to develop this method. This method may also lead to a good guidance law for transfer orbits with long transfer times.

Paper simulation techniques in user requirements analysis for interactive computer systems

NASA Technical Reports Server (NTRS)

Ramsey, H. R.; Atwood, M. E.; Willoughby, J. K.

1979-01-01

This paper describes the use of a technique called 'paper simulation' in the analysis of user requirements for interactive computer systems. In a paper simulation, the user solves problems with the aid of a 'computer', as in normal man-in-the-loop simulation. In this procedure, though, the computer does not exist, but is simulated by the experimenters. This allows simulated problem solving early in the design effort, and allows the properties and degree of structure of the system and its dialogue to be varied. The technique, and a method of analyzing the results, are illustrated with examples from a recent paper simulation exercise involving a Space Shuttle flight design task

Comparison of OpenFOAM and EllipSys3D actuator line methods with (NEW) MEXICO results

NASA Astrophysics Data System (ADS)

Nathan, J.; Meyer Forsting, A. R.; Troldborg, N.; Masson, C.

2017-05-01

The Actuator Line Method exists for more than a decade and has become a well established choice for simulating wind rotors in computational fluid dynamics. Numerous implementations exist and are used in the wind energy research community. These codes were verified by experimental data such as the MEXICO experiment. Often the verification against other codes were made on a very broad scale. Therefore this study attempts first a validation by comparing two different implementations, namely an adapted version of SOWFA/OpenFOAM and EllipSys3D and also a verification by comparing against experimental results from the MEXICO and NEW MEXICO experiments.

Numerical simulation using vorticity-vector potential formulation

NASA Technical Reports Server (NTRS)

Tokunaga, Hiroshi

1993-01-01

An accurate and efficient computational method is needed for three-dimensional incompressible viscous flows in engineering applications. On solving the turbulent shear flows directly or using the subgrid scale model, it is indispensable to resolve the small scale fluid motions as well as the large scale motions. From this point of view, the pseudo-spectral method is used so far as the computational method. However, the finite difference or the finite element methods are widely applied for computing the flow with practical importance since these methods are easily applied to the flows with complex geometric configurations. However, there exist several problems in applying the finite difference method to direct and large eddy simulations. Accuracy is one of most important problems. This point was already addressed by the present author on the direct simulations on the instability of the plane Poiseuille flow and also on the transition to turbulence. In order to obtain high efficiency, the multi-grid Poisson solver is combined with the higher-order, accurate finite difference method. The formulation method is also one of the most important problems in applying the finite difference method to the incompressible turbulent flows. The three-dimensional Navier-Stokes equations have been solved so far in the primitive variables formulation. One of the major difficulties of this method is the rigorous satisfaction of the equation of continuity. In general, the staggered grid is used for the satisfaction of the solenoidal condition for the velocity field at the wall boundary. However, the velocity field satisfies the equation of continuity automatically in the vorticity-vector potential formulation. From this point of view, the vorticity-vector potential method was extended to the generalized coordinate system. In the present article, we adopt the vorticity-vector potential formulation, the generalized coordinate system, and the 4th-order accurate difference method as the computational method. We present the computational method and apply the present method to computations of flows in a square cavity at large Reynolds number in order to investigate its effectiveness.

Robust and Imperceptible Watermarking of Video Streams for Low Power Devices

NASA Astrophysics Data System (ADS)

Ishtiaq, Muhammad; Jaffar, M. Arfan; Khan, Muhammad A.; Jan, Zahoor; Mirza, Anwar M.

With the advent of internet, every aspect of life is going online. From online working to watching videos, everything is now available on the internet. With the greater business benefits, increased availability and other online business advantages, there is a major challenge of security and ownership of data. Videos downloaded from an online store can easily be shared among non-intended or unauthorized users. Invisible watermarking is used to hide copyright protection information in the videos. The existing methods of watermarking are less robust and imperceptible and also the computational complexity of these methods does not suit low power devices. In this paper, we have proposed a new method to address the problem of robustness and imperceptibility. Experiments have shown that our method has better robustness and imperceptibility as well as our method is computationally efficient than previous approaches in practice. Hence our method can easily be applied on low power devices.

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

NASA Astrophysics Data System (ADS)

Kohno, Toshiyuki; Niki, Hiroshi

2009-03-01

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

Comparative study of the effectiveness and limitations of current methods for detecting sequence coevolution.

PubMed

Mao, Wenzhi; Kaya, Cihan; Dutta, Anindita; Horovitz, Amnon; Bahar, Ivet

2015-06-15

With rapid accumulation of sequence data on several species, extracting rational and systematic information from multiple sequence alignments (MSAs) is becoming increasingly important. Currently, there is a plethora of computational methods for investigating coupled evolutionary changes in pairs of positions along the amino acid sequence, and making inferences on structure and function. Yet, the significance of coevolution signals remains to be established. Also, a large number of false positives (FPs) arise from insufficient MSA size, phylogenetic background and indirect couplings. Here, a set of 16 pairs of non-interacting proteins is thoroughly examined to assess the effectiveness and limitations of different methods. The analysis shows that recent computationally expensive methods designed to remove biases from indirect couplings outperform others in detecting tertiary structural contacts as well as eliminating intermolecular FPs; whereas traditional methods such as mutual information benefit from refinements such as shuffling, while being highly efficient. Computations repeated with 2,330 pairs of protein families from the Negatome database corroborated these results. Finally, using a training dataset of 162 families of proteins, we propose a combined method that outperforms existing individual methods. Overall, the study provides simple guidelines towards the choice of suitable methods and strategies based on available MSA size and computing resources. Software is freely available through the Evol component of ProDy API. © The Author 2015. Published by Oxford University Press.

A neural network based reputation bootstrapping approach for service selection

NASA Astrophysics Data System (ADS)

Wu, Quanwang; Zhu, Qingsheng; Li, Peng

2015-10-01

With the concept of service-oriented computing becoming widely accepted in enterprise application integration, more and more computing resources are encapsulated as services and published online. Reputation mechanism has been studied to establish trust on prior unknown services. One of the limitations of current reputation mechanisms is that they cannot assess the reputation of newly deployed services as no record of their previous behaviours exists. Most of the current bootstrapping approaches merely assign default reputation values to newcomers. However, by this kind of methods, either newcomers or existing services will be favoured. In this paper, we present a novel reputation bootstrapping approach, where correlations between features and performance of existing services are learned through an artificial neural network (ANN) and they are then generalised to establish a tentative reputation when evaluating new and unknown services. Reputations of services published previously by the same provider are also incorporated for reputation bootstrapping if available. The proposed reputation bootstrapping approach is seamlessly embedded into an existing reputation model and implemented in the extended service-oriented architecture. Empirical studies of the proposed approach are shown at last.

Reconstituting protein interaction networks using parameter-dependent domain-domain interactions

PubMed Central

2013-01-01

Background We can describe protein-protein interactions (PPIs) as sets of distinct domain-domain interactions (DDIs) that mediate the physical interactions between proteins. Experimental data confirm that DDIs are more consistent than their corresponding PPIs, lending support to the notion that analyses of DDIs may improve our understanding of PPIs and lead to further insights into cellular function, disease, and evolution. However, currently available experimental DDI data cover only a small fraction of all existing PPIs and, in the absence of structural data, determining which particular DDI mediates any given PPI is a challenge. Results We present two contributions to the field of domain interaction analysis. First, we introduce a novel computational strategy to merge domain annotation data from multiple databases. We show that when we merged yeast domain annotations from six annotation databases we increased the average number of domains per protein from 1.05 to 2.44, bringing it closer to the estimated average value of 3. Second, we introduce a novel computational method, parameter-dependent DDI selection (PADDS), which, given a set of PPIs, extracts a small set of domain pairs that can reconstruct the original set of protein interactions, while attempting to minimize false positives. Based on a set of PPIs from multiple organisms, our method extracted 27% more experimentally detected DDIs than existing computational approaches. Conclusions We have provided a method to merge domain annotation data from multiple sources, ensuring large and consistent domain annotation for any given organism. Moreover, we provided a method to extract a small set of DDIs from the underlying set of PPIs and we showed that, in contrast to existing approaches, our method was not biased towards DDIs with low or high occurrence counts. Finally, we used these two methods to highlight the influence of the underlying annotation density on the characteristics of extracted DDIs. Although increased annotations greatly expanded the possible DDIs, the lack of knowledge of the true biological false positive interactions still prevents an unambiguous assignment of domain interactions responsible for all protein network interactions. Executable files and examples are given at: http://www.bhsai.org/downloads/padds/ PMID:23651452

Digital double random amplitude image encryption method based on the symmetry property of the parametric discrete Fourier transform

NASA Astrophysics Data System (ADS)

Bekkouche, Toufik; Bouguezel, Saad

2018-03-01

We propose a real-to-real image encryption method. It is a double random amplitude encryption method based on the parametric discrete Fourier transform coupled with chaotic maps to perform the scrambling. The main idea behind this method is the introduction of a complex-to-real conversion by exploiting the inherent symmetry property of the transform in the case of real-valued sequences. This conversion allows the encrypted image to be real-valued instead of being a complex-valued image as in all existing double random phase encryption methods. The advantage is to store or transmit only one image instead of two images (real and imaginary parts). Computer simulation results and comparisons with the existing double random amplitude encryption methods are provided for peak signal-to-noise ratio, correlation coefficient, histogram analysis, and key sensitivity.

Computational modeling of RNA 3D structures, with the aid of experimental restraints

PubMed Central

Magnus, Marcin; Matelska, Dorota; Łach, Grzegorz; Chojnowski, Grzegorz; Boniecki, Michal J; Purta, Elzbieta; Dawson, Wayne; Dunin-Horkawicz, Stanislaw; Bujnicki, Janusz M

2014-01-01

In addition to mRNAs whose primary function is transmission of genetic information from DNA to proteins, numerous other classes of RNA molecules exist, which are involved in a variety of functions, such as catalyzing biochemical reactions or performing regulatory roles. In analogy to proteins, the function of RNAs depends on their structure and dynamics, which are largely determined by the ribonucleotide sequence. Experimental determination of high-resolution RNA structures is both laborious and difficult, and therefore, the majority of known RNAs remain structurally uncharacterized. To address this problem, computational structure prediction methods were developed that simulate either the physical process of RNA structure formation (“Greek science” approach) or utilize information derived from known structures of other RNA molecules (“Babylonian science” approach). All computational methods suffer from various limitations that make them generally unreliable for structure prediction of long RNA sequences. However, in many cases, the limitations of computational and experimental methods can be overcome by combining these two complementary approaches with each other. In this work, we review computational approaches for RNA structure prediction, with emphasis on implementations (particular programs) that can utilize restraints derived from experimental analyses. We also list experimental approaches, whose results can be relatively easily used by computational methods. Finally, we describe case studies where computational and experimental analyses were successfully combined to determine RNA structures that would remain out of reach for each of these approaches applied separately. PMID:24785264

Comparison of competing segmentation standards for X-ray computed topographic imaging using Lattice Boltzmann techniques

NASA Astrophysics Data System (ADS)

Larsen, J. D.; Schaap, M. G.

2013-12-01

Recent advances in computing technology and experimental techniques have made it possible to observe and characterize fluid dynamics at the micro-scale. Many computational methods exist that can adequately simulate fluid flow in porous media. Lattice Boltzmann methods provide the distinct advantage of tracking particles at the microscopic level and returning macroscopic observations. While experimental methods can accurately measure macroscopic fluid dynamics, computational efforts can be used to predict and gain insight into fluid dynamics by utilizing thin sections or computed micro-tomography (CMT) images of core sections. Although substantial effort have been made to advance non-invasive imaging methods such as CMT, fluid dynamics simulations, and microscale analysis, a true three dimensional image segmentation technique has not been developed until recently. Many competing segmentation techniques are utilized in industry and research settings with varying results. In this study lattice Boltzmann method is used to simulate stokes flow in a macroporous soil column. Two dimensional CMT images were used to reconstruct a three dimensional representation of the original sample. Six competing segmentation standards were used to binarize the CMT volumes which provide distinction between solid phase and pore space. The permeability of the reconstructed samples was calculated, with Darcy's Law, from lattice Boltzmann simulations of fluid flow in the samples. We compare simulated permeability from differing segmentation algorithms to experimental findings.

Hamiltonian Monte Carlo acceleration using surrogate functions with random bases.

PubMed

Zhang, Cheng; Shahbaba, Babak; Zhao, Hongkai

2017-11-01

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

An Analysis of Item Identification for Additive Manufacturing (3-D Printing) Within the Naval Supply Chain

DTIC Science & Technology

2014-12-01

manufacturing BPA blanket purchase agreement BMW Bavarian Motor Works CAD computer-aided design CASREP casualty report CDSA Combat Direction...agreements ( BPA ), and through existing indefinite delivery and indefinite quantity (IDIQ) contracts. These types of procurement methods have less visibility

Optimization of monitoring networks based on uncertainty quantification of model predictions of contaminant transport

NASA Astrophysics Data System (ADS)

Vesselinov, V. V.; Harp, D.

2010-12-01

The process of decision making to protect groundwater resources requires a detailed estimation of uncertainties in model predictions. Various uncertainties associated with modeling a natural system, such as: (1) measurement and computational errors; (2) uncertainties in the conceptual model and model-parameter estimates; (3) simplifications in model setup and numerical representation of governing processes, contribute to the uncertainties in the model predictions. Due to this combination of factors, the sources of predictive uncertainties are generally difficult to quantify individually. Decision support related to optimal design of monitoring networks requires (1) detailed analyses of existing uncertainties related to model predictions of groundwater flow and contaminant transport, (2) optimization of the proposed monitoring network locations in terms of their efficiency to detect contaminants and provide early warning. We apply existing and newly-proposed methods to quantify predictive uncertainties and to optimize well locations. An important aspect of the analysis is the application of newly-developed optimization technique based on coupling of Particle Swarm and Levenberg-Marquardt optimization methods which proved to be robust and computationally efficient. These techniques and algorithms are bundled in a software package called MADS. MADS (Model Analyses for Decision Support) is an object-oriented code that is capable of performing various types of model analyses and supporting model-based decision making. The code can be executed under different computational modes, which include (1) sensitivity analyses (global and local), (2) Monte Carlo analysis, (3) model calibration, (4) parameter estimation, (5) uncertainty quantification, and (6) model selection. The code can be externally coupled with any existing model simulator through integrated modules that read/write input and output files using a set of template and instruction files (consistent with the PEST I/O protocol). MADS can also be internally coupled with a series of built-in analytical simulators. MADS provides functionality to work directly with existing control files developed for the code PEST (Doherty 2009). To perform the computational modes mentioned above, the code utilizes (1) advanced Latin-Hypercube sampling techniques (including Improved Distributed Sampling), (2) various gradient-based Levenberg-Marquardt optimization methods, (3) advanced global optimization methods (including Particle Swarm Optimization), and (4) a selection of alternative objective functions. The code has been successfully applied to perform various model analyses related to environmental management of real contamination sites. Examples include source identification problems, quantification of uncertainty, model calibration, and optimization of monitoring networks. The methodology and software codes are demonstrated using synthetic and real case studies where monitoring networks are optimized taking into account the uncertainty in model predictions of contaminant transport.

Automatic computation of the travelling wave solutions to nonlinear PDEs

NASA Astrophysics Data System (ADS)

Liang, Songxin; Jeffrey, David J.

2008-05-01

Various extensions of the tanh-function method and their implementations for finding explicit travelling wave solutions to nonlinear partial differential equations (PDEs) have been reported in the literature. However, some solutions are often missed by these packages. In this paper, a new algorithm and its implementation called TWS for solving single nonlinear PDEs are presented. TWS is implemented in MAPLE 10. It turns out that, for PDEs whose balancing numbers are not positive integers, TWS works much better than existing packages. Furthermore, TWS obtains more solutions than existing packages for most cases. Program summaryProgram title:TWS Catalogue identifier:AEAM_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEAM_v1_0.html Program obtainable from:CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions:Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.:1250 No. of bytes in distributed program, including test data, etc.:78 101 Distribution format:tar.gz Programming language:Maple 10 Computer:A laptop with 1.6 GHz Pentium CPU Operating system:Windows XP Professional RAM:760 Mbytes Classification:5 Nature of problem:Finding the travelling wave solutions to single nonlinear PDEs. Solution method:Based on tanh-function method. Restrictions:The current version of this package can only deal with single autonomous PDEs or ODEs, not systems of PDEs or ODEs. However, the PDEs can have any finite number of independent space variables in addition to time t. Unusual features:For PDEs whose balancing numbers are not positive integers, TWS works much better than existing packages. Furthermore, TWS obtains more solutions than existing packages for most cases. Additional comments:It is easy to use. Running time:Less than 20 seconds for most cases, between 20 to 100 seconds for some cases, over 100 seconds for few cases. References: [1] E.S. Cheb-Terrab, K. von Bulow, Comput. Phys. Comm. 90 (1995) 102. [2] S.A. Elwakil, S.K. El-Labany, M.A. Zahran, R. Sabry, Phys. Lett. A 299 (2002) 179. [3] E. Fan, Phys. Lett. 277 (2000) 212. [4] W. Malfliet, Amer. J. Phys. 60 (1992) 650. [5] W. Malfliet, W. Hereman, Phys. Scripta 54 (1996) 563. [6] E.J. Parkes, B.R. Duffy, Comput. Phys. Comm. 98 (1996) 288.

Computer implemented empirical mode decomposition method, apparatus and article of manufacture

NASA Technical Reports Server (NTRS)

Huang, Norden E. (Inventor)

1999-01-01

A computer implemented physical signal analysis method is invented. This method includes two essential steps and the associated presentation techniques of the results. All the steps exist only in a computer: there are no analytic expressions resulting from the method. The first step is a computer implemented Empirical Mode Decomposition to extract a collection of Intrinsic Mode Functions (IMF) from nonlinear, nonstationary physical signals. The decomposition is based on the direct extraction of the energy associated with various intrinsic time scales in the physical signal. Expressed in the IMF's, they have well-behaved Hilbert Transforms from which instantaneous frequencies can be calculated. The second step is the Hilbert Transform. The final result is the Hilbert Spectrum. Thus, the invention can localize any event on the time as well as the frequency axis. The decomposition can also be viewed as an expansion of the data in terms of the IMF's. Then, these IMF's, based on and derived from the data, can serve as the basis of that expansion. The local energy and the instantaneous frequency derived from the IMF's through the Hilbert transform give a full energy-frequency-time distribution of the data which is designated as the Hilbert Spectrum.

Method for rapid high-frequency seismogram calculation

NASA Astrophysics Data System (ADS)

Stabile, Tony Alfredo; De Matteis, Raffaella; Zollo, Aldo

2009-02-01

We present a method for rapid, high-frequency seismogram calculation that makes use of an algorithm to automatically generate an exhaustive set of seismic phases with an appreciable amplitude on the seismogram. The method uses a hierarchical order of ray and seismic-phase generation, taking into account some existing constraints for ray paths and some physical constraints. To compute synthetic seismograms, the COMRAD code (from the Italian: "COdice Multifase per il RAy-tracing Dinamico") uses as core a dynamic ray-tracing code. To validate the code, we have computed in a layered medium synthetic seismograms using both COMRAD and a code that computes the complete wave field by the discrete wave number method. The seismograms are compared according to a time-frequency misfit criteria based on the continuous wavelet transform of the signals. Although the number of phases is considerably reduced by the selection criteria, the results show that the loss in amplitude on the whole seismogram is negligible. Moreover, the time for the computing of the synthetics using the COMRAD code (truncating the ray series at the 10th generation) is 3-4-fold less than that needed for the AXITRA code (up to a frequency of 25 Hz).

Algorithms for the computation of solutions of the Ornstein-Zernike equation.

PubMed

Peplow, A T; Beardmore, R E; Bresme, F

2006-10-01

We introduce a robust and efficient methodology to solve the Ornstein-Zernike integral equation using the pseudoarc length (PAL) continuation method that reformulates the integral equation in an equivalent but nonstandard form. This enables the computation of solutions in regions where the compressibility experiences large changes or where the existence of multiple solutions and so-called branch points prevents Newton's method from converging. We illustrate the use of the algorithm with a difficult problem that arises in the numerical solution of integral equations, namely the evaluation of the so-called no-solution line of the Ornstein-Zernike hypernetted chain (HNC) integral equation for the Lennard-Jones potential. We are able to use the PAL algorithm to solve the integral equation along this line and to connect physical and nonphysical solution branches (both isotherms and isochores) where appropriate. We also show that PAL continuation can compute solutions within the no-solution region that cannot be computed when Newton and Picard methods are applied directly to the integral equation. While many solutions that we find are new, some correspond to states with negative compressibility and consequently are not physical.

Structural variation discovery in the cancer genome using next generation sequencing: Computational solutions and perspectives

PubMed Central

Liu, Biao; Conroy, Jeffrey M.; Morrison, Carl D.; Odunsi, Adekunle O.; Qin, Maochun; Wei, Lei; Trump, Donald L.; Johnson, Candace S.; Liu, Song; Wang, Jianmin

2015-01-01

Somatic Structural Variations (SVs) are a complex collection of chromosomal mutations that could directly contribute to carcinogenesis. Next Generation Sequencing (NGS) technology has emerged as the primary means of interrogating the SVs of the cancer genome in recent investigations. Sophisticated computational methods are required to accurately identify the SV events and delineate their breakpoints from the massive amounts of reads generated by a NGS experiment. In this review, we provide an overview of current analytic tools used for SV detection in NGS-based cancer studies. We summarize the features of common SV groups and the primary types of NGS signatures that can be used in SV detection methods. We discuss the principles and key similarities and differences of existing computational programs and comment on unresolved issues related to this research field. The aim of this article is to provide a practical guide of relevant concepts, computational methods, software tools and important factors for analyzing and interpreting NGS data for the detection of SVs in the cancer genome. PMID:25849937

Development of the Tensoral Computer Language

NASA Technical Reports Server (NTRS)

Ferziger, Joel; Dresselhaus, Eliot

1996-01-01

The research scientist or engineer wishing to perform large scale simulations or to extract useful information from existing databases is required to have expertise in the details of the particular database, the numerical methods and the computer architecture to be used. This poses a significant practical barrier to the use of simulation data. The goal of this research was to develop a high-level computer language called Tensoral, designed to remove this barrier. The Tensoral language provides a framework in which efficient generic data manipulations can be easily coded and implemented. First of all, Tensoral is general. The fundamental objects in Tensoral represent tensor fields and the operators that act on them. The numerical implementation of these tensors and operators is completely and flexibly programmable. New mathematical constructs and operators can be easily added to the Tensoral system. Tensoral is compatible with existing languages. Tensoral tensor operations co-exist in a natural way with a host language, which may be any sufficiently powerful computer language such as Fortran, C, or Vectoral. Tensoral is very-high-level. Tensor operations in Tensoral typically act on entire databases (i.e., arrays) at one time and may, therefore, correspond to many lines of code in a conventional language. Tensoral is efficient. Tensoral is a compiled language. Database manipulations are simplified optimized and scheduled by the compiler eventually resulting in efficient machine code to implement them.

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

PubMed

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

2017-01-01

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

Communication: Analysing kinetic transition networks for rare events.

PubMed

Stevenson, Jacob D; Wales, David J

2014-07-28

The graph transformation approach is a recently proposed method for computing mean first passage times, rates, and committor probabilities for kinetic transition networks. Here we compare the performance to existing linear algebra methods, focusing on large, sparse networks. We show that graph transformation provides a much more robust framework, succeeding when numerical precision issues cause the other methods to fail completely. These are precisely the situations that correspond to rare event dynamics for which the graph transformation was introduced.

Reducing usage of the computational resources by event driven approach to model predictive control

NASA Astrophysics Data System (ADS)

Misik, Stefan; Bradac, Zdenek; Cela, Arben

2017-08-01

This paper deals with a real-time and optimal control of dynamic systems while also considers the constraints which these systems might be subject to. Main objective of this work is to propose a simple modification of the existing Model Predictive Control approach to better suit needs of computational resource-constrained real-time systems. An example using model of a mechanical system is presented and the performance of the proposed method is evaluated in a simulated environment.

Algorithms for computing solvents of unilateral second-order matrix polynomials over prime finite fields using lambda-matrices

NASA Astrophysics Data System (ADS)

Burtyka, Filipp

2018-01-01

The paper considers algorithms for finding diagonalizable and non-diagonalizable roots (so called solvents) of monic arbitrary unilateral second-order matrix polynomial over prime finite field. These algorithms are based on polynomial matrices (lambda-matrices). This is an extension of existing general methods for computing solvents of matrix polynomials over field of complex numbers. We analyze how techniques for complex numbers can be adapted for finite field and estimate asymptotic complexity of the obtained algorithms.

Flexwall Hydraulic Hose Replacement in the NASA Glenn 10- by 10-Foot Supersonic Propulsion Wind Tunnel

NASA Technical Reports Server (NTRS)

Smith, Larry E.; Roeder, James W.; Linne, Alan A.; Klann, Gary A.

2003-01-01

The space-time conservation-element and solution-element method is employed to numerically study the near-field screech-tone noise of a typical underexpanded circular jet issuing from a sonic nozzle. Both axisymmetric and fully three-dimensional computations are carried out. The self-sustained feedback loop is properly simulated. The computed shock-cell structure, acoustic wave length, screech-tone frequency, and sound-pressure levels are in good agreement with existing experimental results.

Methods for the computation of the multivalued Painlevé transcendents on their Riemann surfaces

NASA Astrophysics Data System (ADS)

Fasondini, Marco; Fornberg, Bengt; Weideman, J. A. C.

2017-09-01

We extend the numerical pole field solver (Fornberg and Weideman (2011) [12]) to enable the computation of the multivalued Painlevé transcendents, which are the solutions to the third, fifth and sixth Painlevé equations, on their Riemann surfaces. We display, for the first time, solutions to these equations on multiple Riemann sheets. We also provide numerical evidence for the existence of solutions to the sixth Painlevé equation that have pole-free sectors, known as tronquée solutions.

Coupled Aerodynamic and Structural Sensitivity Analysis of a High-Speed Civil Transport

NASA Technical Reports Server (NTRS)

Mason, B. H.; Walsh, J. L.

2001-01-01

An objective of the High Performance Computing and Communication Program at the NASA Langley Research Center is to demonstrate multidisciplinary shape and sizing optimization of a complete aerospace vehicle configuration by using high-fidelity, finite-element structural analysis and computational fluid dynamics aerodynamic analysis. In a previous study, a multi-disciplinary analysis system for a high-speed civil transport was formulated to integrate a set of existing discipline analysis codes, some of them computationally intensive, This paper is an extension of the previous study, in which the sensitivity analysis for the coupled aerodynamic and structural analysis problem is formulated and implemented. Uncoupled stress sensitivities computed with a constant load vector in a commercial finite element analysis code are compared to coupled aeroelastic sensitivities computed by finite differences. The computational expense of these sensitivity calculation methods is discussed.

Accurate computation of gravitational field of a tesseroid

NASA Astrophysics Data System (ADS)

Fukushima, Toshio

2018-02-01

We developed an accurate method to compute the gravitational field of a tesseroid. The method numerically integrates a surface integral representation of the gravitational potential of the tesseroid by conditionally splitting its line integration intervals and by using the double exponential quadrature rule. Then, it evaluates the gravitational acceleration vector and the gravity gradient tensor by numerically differentiating the numerically integrated potential. The numerical differentiation is conducted by appropriately switching the central and the single-sided second-order difference formulas with a suitable choice of the test argument displacement. If necessary, the new method is extended to the case of a general tesseroid with the variable density profile, the variable surface height functions, and/or the variable intervals in longitude or in latitude. The new method is capable of computing the gravitational field of the tesseroid independently on the location of the evaluation point, namely whether outside, near the surface of, on the surface of, or inside the tesseroid. The achievable precision is 14-15 digits for the potential, 9-11 digits for the acceleration vector, and 6-8 digits for the gradient tensor in the double precision environment. The correct digits are roughly doubled if employing the quadruple precision computation. The new method provides a reliable procedure to compute the topographic gravitational field, especially that near, on, and below the surface. Also, it could potentially serve as a sure reference to complement and elaborate the existing approaches using the Gauss-Legendre quadrature or other standard methods of numerical integration.

High Performance Parallel Computational Nanotechnology

NASA Technical Reports Server (NTRS)

Saini, Subhash; Craw, James M. (Technical Monitor)

1995-01-01

At a recent press conference, NASA Administrator Dan Goldin encouraged NASA Ames Research Center to take a lead role in promoting research and development of advanced, high-performance computer technology, including nanotechnology. Manufacturers of leading-edge microprocessors currently perform large-scale simulations in the design and verification of semiconductor devices and microprocessors. Recently, the need for this intensive simulation and modeling analysis has greatly increased, due in part to the ever-increasing complexity of these devices, as well as the lessons of experiences such as the Pentium fiasco. Simulation, modeling, testing, and validation will be even more important for designing molecular computers because of the complex specification of millions of atoms, thousands of assembly steps, as well as the simulation and modeling needed to ensure reliable, robust and efficient fabrication of the molecular devices. The software for this capacity does not exist today, but it can be extrapolated from the software currently used in molecular modeling for other applications: semi-empirical methods, ab initio methods, self-consistent field methods, Hartree-Fock methods, molecular mechanics; and simulation methods for diamondoid structures. In as much as it seems clear that the application of such methods in nanotechnology will require powerful, highly powerful systems, this talk will discuss techniques and issues for performing these types of computations on parallel systems. We will describe system design issues (memory, I/O, mass storage, operating system requirements, special user interface issues, interconnects, bandwidths, and programming languages) involved in parallel methods for scalable classical, semiclassical, quantum, molecular mechanics, and continuum models; molecular nanotechnology computer-aided designs (NanoCAD) techniques; visualization using virtual reality techniques of structural models and assembly sequences; software required to control mini robotic manipulators for positional control; scalable numerical algorithms for reliability, verifications and testability. There appears no fundamental obstacle to simulating molecular compilers and molecular computers on high performance parallel computers, just as the Boeing 777 was simulated on a computer before manufacturing it.

PDB_REDO: automated re-refinement of X-ray structure models in the PDB.

PubMed

Joosten, Robbie P; Salzemann, Jean; Bloch, Vincent; Stockinger, Heinz; Berglund, Ann-Charlott; Blanchet, Christophe; Bongcam-Rudloff, Erik; Combet, Christophe; Da Costa, Ana L; Deleage, Gilbert; Diarena, Matteo; Fabbretti, Roberto; Fettahi, Géraldine; Flegel, Volker; Gisel, Andreas; Kasam, Vinod; Kervinen, Timo; Korpelainen, Eija; Mattila, Kimmo; Pagni, Marco; Reichstadt, Matthieu; Breton, Vincent; Tickle, Ian J; Vriend, Gert

2009-06-01

Structural biology, homology modelling and rational drug design require accurate three-dimensional macromolecular coordinates. However, the coordinates in the Protein Data Bank (PDB) have not all been obtained using the latest experimental and computational methods. In this study a method is presented for automated re-refinement of existing structure models in the PDB. A large-scale benchmark with 16 807 PDB entries showed that they can be improved in terms of fit to the deposited experimental X-ray data as well as in terms of geometric quality. The re-refinement protocol uses TLS models to describe concerted atom movement. The resulting structure models are made available through the PDB_REDO databank (http://www.cmbi.ru.nl/pdb_redo/). Grid computing techniques were used to overcome the computational requirements of this endeavour.

A high-order multiscale finite-element method for time-domain acoustic-wave modeling

NASA Astrophysics Data System (ADS)

Gao, Kai; Fu, Shubin; Chung, Eric T.

2018-05-01

Accurate and efficient wave equation modeling is vital for many applications in such as acoustics, electromagnetics, and seismology. However, solving the wave equation in large-scale and highly heterogeneous models is usually computationally expensive because the computational cost is directly proportional to the number of grids in the model. We develop a novel high-order multiscale finite-element method to reduce the computational cost of time-domain acoustic-wave equation numerical modeling by solving the wave equation on a coarse mesh based on the multiscale finite-element theory. In contrast to existing multiscale finite-element methods that use only first-order multiscale basis functions, our new method constructs high-order multiscale basis functions from local elliptic problems which are closely related to the Gauss-Lobatto-Legendre quadrature points in a coarse element. Essentially, these basis functions are not only determined by the order of Legendre polynomials, but also by local medium properties, and therefore can effectively convey the fine-scale information to the coarse-scale solution with high-order accuracy. Numerical tests show that our method can significantly reduce the computation time while maintain high accuracy for wave equation modeling in highly heterogeneous media by solving the corresponding discrete system only on the coarse mesh with the new high-order multiscale basis functions.

A high-order multiscale finite-element method for time-domain acoustic-wave modeling

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

Gao, Kai; Fu, Shubin; Chung, Eric T.

Accurate and efficient wave equation modeling is vital for many applications in such as acoustics, electromagnetics, and seismology. However, solving the wave equation in large-scale and highly heterogeneous models is usually computationally expensive because the computational cost is directly proportional to the number of grids in the model. We develop a novel high-order multiscale finite-element method to reduce the computational cost of time-domain acoustic-wave equation numerical modeling by solving the wave equation on a coarse mesh based on the multiscale finite-element theory. In contrast to existing multiscale finite-element methods that use only first-order multiscale basis functions, our new method constructsmore » high-order multiscale basis functions from local elliptic problems which are closely related to the Gauss–Lobatto–Legendre quadrature points in a coarse element. Essentially, these basis functions are not only determined by the order of Legendre polynomials, but also by local medium properties, and therefore can effectively convey the fine-scale information to the coarse-scale solution with high-order accuracy. Numerical tests show that our method can significantly reduce the computation time while maintain high accuracy for wave equation modeling in highly heterogeneous media by solving the corresponding discrete system only on the coarse mesh with the new high-order multiscale basis functions.« less

A high-order multiscale finite-element method for time-domain acoustic-wave modeling

DOE PAGES

Gao, Kai; Fu, Shubin; Chung, Eric T.

2018-02-04

Accurate and efficient wave equation modeling is vital for many applications in such as acoustics, electromagnetics, and seismology. However, solving the wave equation in large-scale and highly heterogeneous models is usually computationally expensive because the computational cost is directly proportional to the number of grids in the model. We develop a novel high-order multiscale finite-element method to reduce the computational cost of time-domain acoustic-wave equation numerical modeling by solving the wave equation on a coarse mesh based on the multiscale finite-element theory. In contrast to existing multiscale finite-element methods that use only first-order multiscale basis functions, our new method constructsmore » high-order multiscale basis functions from local elliptic problems which are closely related to the Gauss–Lobatto–Legendre quadrature points in a coarse element. Essentially, these basis functions are not only determined by the order of Legendre polynomials, but also by local medium properties, and therefore can effectively convey the fine-scale information to the coarse-scale solution with high-order accuracy. Numerical tests show that our method can significantly reduce the computation time while maintain high accuracy for wave equation modeling in highly heterogeneous media by solving the corresponding discrete system only on the coarse mesh with the new high-order multiscale basis functions.« less

Probabilistic Structural Analysis Methods (PSAM) for Select Space Propulsion System Components

NASA Technical Reports Server (NTRS)

1999-01-01

Probabilistic Structural Analysis Methods (PSAM) are described for the probabilistic structural analysis of engine components for current and future space propulsion systems. Components for these systems are subjected to stochastic thermomechanical launch loads. Uncertainties or randomness also occurs in material properties, structural geometry, and boundary conditions. Material property stochasticity, such as in modulus of elasticity or yield strength, exists in every structure and is a consequence of variations in material composition and manufacturing processes. Procedures are outlined for computing the probabilistic structural response or reliability of the structural components. The response variables include static or dynamic deflections, strains, and stresses at one or several locations, natural frequencies, fatigue or creep life, etc. Sample cases illustrates how the PSAM methods and codes simulate input uncertainties and compute probabilistic response or reliability using a finite element model with probabilistic methods.

Evaluation of SAR in a human body model due to wireless power transmission in the 10 MHz band.

PubMed

Laakso, Ilkka; Tsuchida, Shogo; Hirata, Akimasa; Kamimura, Yoshitsugu

2012-08-07

This study discusses a computational method for calculating the specific absorption rate (SAR) due to a wireless power transmission system in the 10 MHz frequency band. A two-step quasi-static method comprised of the method of moments and the scalar potential finite-difference method are proposed. The applicability of the quasi-static approximation for localized exposure in this frequency band is discussed by comparing the SAR in a lossy dielectric cylinder computed with a full-wave electromagnetic analysis and the quasi-static approximation. From the computational results, the input impedance of the resonant coils was affected by the existence of the cylinder. On the other hand, the magnetic field distribution in free space and considering the cylinder and an impedance matching circuit were in good agreement; the maximum difference in the amplitude of the magnetic field was 4.8%. For a cylinder-coil distance of 10 mm, the difference between the peak 10 g averaged SAR in the cylinder computed with the full-wave electromagnetic method and our quasi-static method was 7.8%. These results suggest that the quasi-static approach is applicable for conducting the dosimetry of wireless power transmission in the 10 MHz band. With our two-step quasi-static method, the SAR in the anatomically based model was computed for different exposure scenarios. From those computations, the allowable input power satisfying the limit of a peak 10 g averaged SAR of 2.0 W kg(-1) was 830 W in the worst case exposure scenario with a coil positioned at a distance of 30 mm from the chest.

A review of existing and emerging digital technologies to combat the global trade in fake medicines.

PubMed

Mackey, Tim K; Nayyar, Gaurvika

2017-05-01

The globalization of the pharmaceutical supply chain has introduced new challenges, chief among them, fighting the international criminal trade in fake medicines. As the manufacture, supply, and distribution of drugs becomes more complex, so does the need for innovative technology-based solutions to protect patients globally. Areas covered: We conducted a multidisciplinary review of the science/health, information technology, computer science, and general academic literature with the aim of identifying cutting-edge existing and emerging 'digital' solutions to combat fake medicines. Our review identified five distinct categories of technology including mobile, radio frequency identification, advanced computational methods, online verification, and blockchain technology. Expert opinion: Digital fake medicine solutions are unifying platforms that integrate different types of anti-counterfeiting technologies as complementary solutions, improve information sharing and data collection, and are designed to overcome existing barriers of adoption and implementation. Investment in this next generation technology is essential to ensure the future security and integrity of the global drug supply chain.

A Design To Improve Children's Competencies in Solving Mathematical Word Problems.

ERIC Educational Resources Information Center

Zimmerman, Helene

A discrepancy exists between children's ability to compute and their ability to solve mathematical word problems. The literature suggests a variety of methods that have been attempted to improve this skill with varying success. The utilization of manipulatives, visualization, illustration, and emphasis on improving listening skills all were…

Elicitation Support Requirements of Multi-Expertise Teams

ERIC Educational Resources Information Center

Bitter-Rijpkema, Marlies; Martens, Rob; Jochems, Wim

2005-01-01

Tools to support knowledge elicitation are used more and more in situations where employees or students collaborate using the computer. Studies indicate that differences exist between experts and novices regarding their methods of work and reasoning. However, the commonly preferred approach tends to deal with team members as a single system with…

Joint histogram-based cost aggregation for stereo matching.

PubMed

Min, Dongbo; Lu, Jiangbo; Do, Minh N

2013-10-01

This paper presents a novel method for performing efficient cost aggregation in stereo matching. The cost aggregation problem is reformulated from the perspective of a histogram, giving us the potential to reduce the complexity of the cost aggregation in stereo matching significantly. Differently from previous methods which have tried to reduce the complexity in terms of the size of an image and a matching window, our approach focuses on reducing the computational redundancy that exists among the search range, caused by a repeated filtering for all the hypotheses. Moreover, we also reduce the complexity of the window-based filtering through an efficient sampling scheme inside the matching window. The tradeoff between accuracy and complexity is extensively investigated by varying the parameters used in the proposed method. Experimental results show that the proposed method provides high-quality disparity maps with low complexity and outperforms existing local methods. This paper also provides new insights into complexity-constrained stereo-matching algorithm design.

Structure and information in spatial segregation

PubMed Central

2017-01-01

Ethnoracial residential segregation is a complex, multiscalar phenomenon with immense moral and economic costs. Modeling the structure and dynamics of segregation is a pressing problem for sociology and urban planning, but existing methods have limitations. In this paper, we develop a suite of methods, grounded in information theory, for studying the spatial structure of segregation. We first advance existing profile and decomposition methods by posing two related regionalization methods, which allow for profile curves with nonconstant spatial scale and decomposition analysis with nonarbitrary areal units. We then formulate a measure of local spatial scale, which may be used for both detailed, within-city analysis and intercity comparisons. These methods highlight detailed insights in the structure and dynamics of urban segregation that would be otherwise easy to miss or difficult to quantify. They are computationally efficient, applicable to a broad range of study questions, and freely available in open source software. PMID:29078323

Structure and information in spatial segregation.

PubMed

Chodrow, Philip S

2017-10-31

Ethnoracial residential segregation is a complex, multiscalar phenomenon with immense moral and economic costs. Modeling the structure and dynamics of segregation is a pressing problem for sociology and urban planning, but existing methods have limitations. In this paper, we develop a suite of methods, grounded in information theory, for studying the spatial structure of segregation. We first advance existing profile and decomposition methods by posing two related regionalization methods, which allow for profile curves with nonconstant spatial scale and decomposition analysis with nonarbitrary areal units. We then formulate a measure of local spatial scale, which may be used for both detailed, within-city analysis and intercity comparisons. These methods highlight detailed insights in the structure and dynamics of urban segregation that would be otherwise easy to miss or difficult to quantify. They are computationally efficient, applicable to a broad range of study questions, and freely available in open source software. Published under the PNAS license.

A dynamic programming approach to estimate the capacity value of energy storage

DOE PAGES

Sioshansi, Ramteen; Madaeni, Seyed Hossein; Denholm, Paul

2013-09-17

Here, we present a method to estimate the capacity value of storage. Our method uses a dynamic program to model the effect of power system outages on the operation and state of charge of storage in subsequent periods. We combine the optimized dispatch from the dynamic program with estimated system loss of load probabilities to compute a probability distribution for the state of charge of storage in each period. This probability distribution can be used as a forced outage rate for storage in standard reliability-based capacity value estimation methods. Our proposed method has the advantage over existing approximations that itmore » explicitly captures the effect of system shortage events on the state of charge of storage in subsequent periods. We also use a numerical case study, based on five utility systems in the U.S., to demonstrate our technique and compare it to existing approximation methods.« less

Artificial Neural Network for Probabilistic Feature Recognition in Liquid Chromatography Coupled to High-Resolution Mass Spectrometry.

PubMed

Woldegebriel, Michael; Derks, Eduard

2017-01-17

In this work, a novel probabilistic untargeted feature detection algorithm for liquid chromatography coupled to high-resolution mass spectrometry (LC-HRMS) using artificial neural network (ANN) is presented. The feature detection process is approached as a pattern recognition problem, and thus, ANN was utilized as an efficient feature recognition tool. Unlike most existing feature detection algorithms, with this approach, any suspected chromatographic profile (i.e., shape of a peak) can easily be incorporated by training the network, avoiding the need to perform computationally expensive regression methods with specific mathematical models. In addition, with this method, we have shown that the high-resolution raw data can be fully utilized without applying any arbitrary thresholds or data reduction, therefore improving the sensitivity of the method for compound identification purposes. Furthermore, opposed to existing deterministic (binary) approaches, this method rather estimates the probability of a feature being present/absent at a given point of interest, thus giving chance for all data points to be propagated down the data analysis pipeline, weighed with their probability. The algorithm was tested with data sets generated from spiked samples in forensic and food safety context and has shown promising results by detecting features for all compounds in a computationally reasonable time.

Protein interaction network topology uncovers melanogenesis regulatory network components within functional genomics datasets.

PubMed

Ho, Hsiang; Milenković, Tijana; Memisević, Vesna; Aruri, Jayavani; Przulj, Natasa; Ganesan, Anand K

2010-06-15

RNA-mediated interference (RNAi)-based functional genomics is a systems-level approach to identify novel genes that control biological phenotypes. Existing computational approaches can identify individual genes from RNAi datasets that regulate a given biological process. However, currently available methods cannot identify which RNAi screen "hits" are novel components of well-characterized biological pathways known to regulate the interrogated phenotype. In this study, we describe a method to identify genes from RNAi datasets that are novel components of known biological pathways. We experimentally validate our approach in the context of a recently completed RNAi screen to identify novel regulators of melanogenesis. In this study, we utilize a PPI network topology-based approach to identify targets within our RNAi dataset that may be components of known melanogenesis regulatory pathways. Our computational approach identifies a set of screen targets that cluster topologically in a human PPI network with the known pigment regulator Endothelin receptor type B (EDNRB). Validation studies reveal that these genes impact pigment production and EDNRB signaling in pigmented melanoma cells (MNT-1) and normal melanocytes. We present an approach that identifies novel components of well-characterized biological pathways from functional genomics datasets that could not have been identified by existing statistical and computational approaches.

Protein interaction network topology uncovers melanogenesis regulatory network components within functional genomics datasets

PubMed Central

2010-01-01

Background RNA-mediated interference (RNAi)-based functional genomics is a systems-level approach to identify novel genes that control biological phenotypes. Existing computational approaches can identify individual genes from RNAi datasets that regulate a given biological process. However, currently available methods cannot identify which RNAi screen "hits" are novel components of well-characterized biological pathways known to regulate the interrogated phenotype. In this study, we describe a method to identify genes from RNAi datasets that are novel components of known biological pathways. We experimentally validate our approach in the context of a recently completed RNAi screen to identify novel regulators of melanogenesis. Results In this study, we utilize a PPI network topology-based approach to identify targets within our RNAi dataset that may be components of known melanogenesis regulatory pathways. Our computational approach identifies a set of screen targets that cluster topologically in a human PPI network with the known pigment regulator Endothelin receptor type B (EDNRB). Validation studies reveal that these genes impact pigment production and EDNRB signaling in pigmented melanoma cells (MNT-1) and normal melanocytes. Conclusions We present an approach that identifies novel components of well-characterized biological pathways from functional genomics datasets that could not have been identified by existing statistical and computational approaches. PMID:20550706

A conservative finite difference algorithm for the unsteady transonic potential equation in generalized coordinates

NASA Technical Reports Server (NTRS)

Bridgeman, J. O.; Steger, J. L.; Caradonna, F. X.

1982-01-01

An implicit, approximate-factorization, finite-difference algorithm has been developed for the computation of unsteady, inviscid transonic flows in two and three dimensions. The computer program solves the full-potential equation in generalized coordinates in conservation-law form in order to properly capture shock-wave position and speed. A body-fitted coordinate system is employed for the simple and accurate treatment of boundary conditions on the body surface. The time-accurate algorithm is modified to a conventional ADI relaxation scheme for steady-state computations. Results from two- and three-dimensional steady and two-dimensional unsteady calculations are compared with existing methods.

Parallel-vector unsymmetric Eigen-Solver on high performance computers

NASA Technical Reports Server (NTRS)

Nguyen, Duc T.; Jiangning, Qin

1993-01-01

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

Method for simulating paint mixing on computer monitors

NASA Astrophysics Data System (ADS)

Carabott, Ferdinand; Lewis, Garth; Piehl, Simon

2002-06-01

Computer programs like Adobe Photoshop can generate a mixture of two 'computer' colors by using the Gradient control. However, the resulting colors diverge from the equivalent paint mixtures in both hue and value. This study examines why programs like Photoshop are unable to simulate paint or pigment mixtures, and offers a solution using Photoshops existing tools. The article discusses how a library of colors, simulating paint mixtures, is created from 13 artists' colors. The mixtures can be imported into Photoshop as a color swatch palette of 1248 colors and as 78 continuous or stepped gradient files, all accessed in a new software package, Chromafile.

Angelcare mobile system: homecare patient monitoring using bluetooth and GPRS.

PubMed

Ribeiro, Anna G D; Maitelli, Andre L; Valentim, Ricardo A M; Brandao, Glaucio B; Guerreiro, Ana M G

2010-01-01

The quick progress in technology has brought new paradigms to the computing area, bringing with them many benefits to society. The paradigm of ubiquitous computing brings innovations applying computing in people's daily life without being noticed. For this, it has used the combination of several existing technologies like wireless communications and sensors. Several of the benefits have reached the medical area, bringing new methods of surgery, appointments and examinations. This work presents telemedicine software that adds the idea of ubiquity to the medical area, innovating the relation between doctor and patient. It also brings security and confidence to a patient being monitored in homecare.

Salient regions detection using convolutional neural networks and color volume

NASA Astrophysics Data System (ADS)

Liu, Guang-Hai; Hou, Yingkun

2018-03-01

Convolutional neural network is an important technique in machine learning, pattern recognition and image processing. In order to reduce the computational burden and extend the classical LeNet-5 model to the field of saliency detection, we propose a simple and novel computing model based on LeNet-5 network. In the proposed model, hue, saturation and intensity are utilized to extract depth cues, and then we integrate depth cues and color volume to saliency detection following the basic structure of the feature integration theory. Experimental results show that the proposed computing model outperforms some existing state-of-the-art methods on MSRA1000 and ECSSD datasets.

Data distribution method of workflow in the cloud environment

NASA Astrophysics Data System (ADS)

Wang, Yong; Wu, Junjuan; Wang, Ying

2017-08-01

Cloud computing for workflow applications provides the required high efficiency calculation and large storage capacity and it also brings challenges to the protection of trade secrets and other privacy data. Because of privacy data will cause the increase of the data transmission time, this paper presents a new data allocation algorithm based on data collaborative damage degree, to improve the existing data allocation strategy? Safety and public cloud computer algorithm depends on the private cloud; the static allocation method in the initial stage only to the non-confidential data division to improve the original data, in the operational phase will continue to generate data to dynamically adjust the data distribution scheme. The experimental results show that the improved method is effective in reducing the data transmission time.

Explosion safety in industrial electrostatics

NASA Astrophysics Data System (ADS)

Szabó, S. V.; Kiss, I.; Berta, I.

2011-01-01

Complicated industrial systems are often endangered by electrostatic hazards, both from atmospheric (lightning phenomenon, primary and secondary lightning protection) and industrial (technological problems caused by static charging and fire and explosion hazards.) According to the classical approach protective methods have to be used in order to remove electrostatic charging and to avoid damages, however no attempt to compute the risk before and after applying the protective method is made, relying instead on well-educated and practiced expertise. The Budapest School of Electrostatics - in close cooperation with industrial partners - develops new suitable solutions for probability based decision support (Static Control Up-to-date Technology, SCOUT) using soft computing methods. This new approach can be used to assess and audit existing systems and - using the predictive power of the models - to design and plan activities in industrial electrostatics.

Normalized Cut Algorithm for Automated Assignment of Protein Domains

NASA Technical Reports Server (NTRS)

Samanta, M. P.; Liang, S.; Zha, H.; Biegel, Bryan A. (Technical Monitor)

2002-01-01

We present a novel computational method for automatic assignment of protein domains from structural data. At the core of our algorithm lies a recently proposed clustering technique that has been very successful for image-partitioning applications. This grap.,l-theory based clustering method uses the notion of a normalized cut to partition. an undirected graph into its strongly-connected components. Computer implementation of our method tested on the standard comparison set of proteins from the literature shows a high success rate (84%), better than most existing alternative In addition, several other features of our algorithm, such as reliance on few adjustable parameters, linear run-time with respect to the size of the protein and reduced complexity compared to other graph-theory based algorithms, would make it an attractive tool for structural biologists.

Study of the TRAC Airfoil Table Computational System

NASA Technical Reports Server (NTRS)

Hu, Hong

1999-01-01

The report documents the study of the application of the TRAC airfoil table computational package (TRACFOIL) to the prediction of 2D airfoil force and moment data over a wide range of angle of attack and Mach number. The TRACFOIL generates the standard C-81 airfoil table for input into rotorcraft comprehensive codes such as CAM- RAD. The existing TRACFOIL computer package is successfully modified to run on Digital alpha workstations and on Cray-C90 supercomputers. A step-by-step instruction for using the package on both computer platforms is provided. Application of the newer version of TRACFOIL is made for two airfoil sections. The C-81 data obtained using the TRACFOIL method are compared with those of wind-tunnel data and results are presented.

Left ventricular fluid mechanics: the long way from theoretical models to clinical applications.

PubMed

Pedrizzetti, Gianni; Domenichini, Federico

2015-01-01

The flow inside the left ventricle is characterized by the formation of vortices that smoothly accompany blood from the mitral inlet to the aortic outlet. Computational fluid dynamics permitted to shed some light on the fundamental processes involved with vortex motion. More recently, patient-specific numerical simulations are becoming an increasingly feasible tool that can be integrated with the developing imaging technologies. The existing computational methods are reviewed in the perspective of their potential role as a novel aid for advanced clinical analysis. The current results obtained by simulation methods either alone or in combination with medical imaging are summarized. Open problems are highlighted and perspective clinical applications are discussed.

Subsonic flutter analysis addition to NASTRAN. [for use with CDC 6000 series digital computers

NASA Technical Reports Server (NTRS)

Doggett, R. V., Jr.; Harder, R. L.

1973-01-01

A subsonic flutter analysis capability has been developed for NASTRAN, and a developmental version of the program has been installed on the CDC 6000 series digital computers at the Langley Research Center. The flutter analysis is of the modal type, uses doublet lattice unsteady aerodynamic forces, and solves the flutter equations by using the k-method. Surface and one-dimensional spline functions are used to transform from the aerodynamic degrees of freedom to the structural degrees of freedom. Some preliminary applications of the method to a beamlike wing, a platelike wing, and a platelike wing with a folded tip are compared with existing experimental and analytical results.

GEOS. User Tutorials

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

Fu, Pengchen; Settgast, Randolph R.; Johnson, Scott M.

2014-12-17

GEOS is a massively parallel, multi-physics simulation application utilizing high performance computing (HPC) to address subsurface reservoir stimulation activities with the goal of optimizing current operations and evaluating innovative stimulation methods. GEOS enables coupling of di erent solvers associated with the various physical processes occurring during reservoir stimulation in unique and sophisticated ways, adapted to various geologic settings, materials and stimulation methods. Developed at the Lawrence Livermore National Laboratory (LLNL) as a part of a Laboratory-Directed Research and Development (LDRD) Strategic Initiative (SI) project, GEOS represents the culmination of a multi-year ongoing code development and improvement e ort that hasmore » leveraged existing code capabilities and sta expertise to design new computational geosciences software.« less

Computation of aerodynamic interference effects on oscillating airfoils with controls in ventilated subsonic wind tunnels

NASA Technical Reports Server (NTRS)

Fromme, J. A.; Golberg, M. A.

1979-01-01

Lift interference effects are discussed based on Bland's (1968) integral equation. A mathematical existence theory is utilized for which convergence of the numerical method has been proved for general (square-integrable) downwashes. Airloads are computed using orthogonal airfoil polynomial pairs in conjunction with a collocation method which is numerically equivalent to Galerkin's method and complex least squares. Convergence exhibits exponentially decreasing error with the number n of collocation points for smooth downwashes, whereas errors are proportional to 1/n for discontinuous downwashes. The latter can be reduced to 1/n to the m+1 power with mth-order Richardson extrapolation (by using m = 2, hundredfold error reductions were obtained with only a 13% increase of computer time). Numerical results are presented showing acoustic resonance, as well as the effect of Mach number, ventilation, height-to-chord ratio, and mode shape on wind-tunnel interference. Excellent agreement with experiment is obtained in steady flow, and good agreement is obtained for unsteady flow.

A Review of Computational Methods for Finding Non-Coding RNA Genes

PubMed Central

Abbas, Qaisar; Raza, Syed Mansoor; Biyabani, Azizuddin Ahmed; Jaffar, Muhammad Arfan

2016-01-01

Finding non-coding RNA (ncRNA) genes has emerged over the past few years as a cutting-edge trend in bioinformatics. There are numerous computational intelligence (CI) challenges in the annotation and interpretation of ncRNAs because it requires a domain-related expert knowledge in CI techniques. Moreover, there are many classes predicted yet not experimentally verified by researchers. Recently, researchers have applied many CI methods to predict the classes of ncRNAs. However, the diverse CI approaches lack a definitive classification framework to take advantage of past studies. A few review papers have attempted to summarize CI approaches, but focused on the particular methodological viewpoints. Accordingly, in this article, we summarize in greater detail than previously available, the CI techniques for finding ncRNAs genes. We differentiate from the existing bodies of research and discuss concisely the technical merits of various techniques. Lastly, we review the limitations of ncRNA gene-finding CI methods with a point-of-view towards the development of new computational tools. PMID:27918472

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

PubMed Central

Magesh, R.; George Priya Doss, C.

2012-01-01

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

Computer models of complex multiloop branched pipeline systems

NASA Astrophysics Data System (ADS)

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

2013-11-01

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

Improved dense trajectories for action recognition based on random projection and Fisher vectors

NASA Astrophysics Data System (ADS)

Ai, Shihui; Lu, Tongwei; Xiong, Yudian

2018-03-01

As an important application of intelligent monitoring system, the action recognition in video has become a very important research area of computer vision. In order to improve the accuracy rate of the action recognition in video with improved dense trajectories, one advanced vector method is introduced. Improved dense trajectories combine Fisher Vector with Random Projection. The method realizes the reduction of the characteristic trajectory though projecting the high-dimensional trajectory descriptor into the low-dimensional subspace based on defining and analyzing Gaussian mixture model by Random Projection. And a GMM-FV hybrid model is introduced to encode the trajectory feature vector and reduce dimension. The computational complexity is reduced by Random Projection which can drop Fisher coding vector. Finally, a Linear SVM is used to classifier to predict labels. We tested the algorithm in UCF101 dataset and KTH dataset. Compared with existed some others algorithm, the result showed that the method not only reduce the computational complexity but also improved the accuracy of action recognition.

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

Software Safety Risk in Legacy Safety-Critical Computer Systems

NASA Technical Reports Server (NTRS)

Hill, Janice; Baggs, Rhoda

2007-01-01

Safety-critical computer systems must be engineered to meet system and software safety requirements. For legacy safety-critical computer systems, software safety requirements may not have been formally specified during development. When process-oriented software safety requirements are levied on a legacy system after the fact, where software development artifacts don't exist or are incomplete, the question becomes 'how can this be done?' The risks associated with only meeting certain software safety requirements in a legacy safety-critical computer system must be addressed should such systems be selected as candidates for reuse. This paper proposes a method for ascertaining formally, a software safety risk assessment, that provides measurements for software safety for legacy systems which may or may not have a suite of software engineering documentation that is now normally required. It relies upon the NASA Software Safety Standard, risk assessment methods based upon the Taxonomy-Based Questionnaire, and the application of reverse engineering CASE tools to produce original design documents for legacy systems.

Algebraic properties of automata associated to Petri nets and applications to computation in biological systems.

PubMed

Egri-Nagy, Attila; Nehaniv, Chrystopher L

2008-01-01

Biochemical and genetic regulatory networks are often modeled by Petri nets. We study the algebraic structure of the computations carried out by Petri nets from the viewpoint of algebraic automata theory. Petri nets comprise a formalized graphical modeling language, often used to describe computation occurring within biochemical and genetic regulatory networks, but the semantics may be interpreted in different ways in the realm of automata. Therefore, there are several different ways to turn a Petri net into a state-transition automaton. Here, we systematically investigate different conversion methods and describe cases where they may yield radically different algebraic structures. We focus on the existence of group components of the corresponding transformation semigroups, as these reflect symmetries of the computation occurring within the biological system under study. Results are illustrated by applications to the Petri net modelling of intermediary metabolism. Petri nets with inhibition are shown to be computationally rich, regardless of the particular interpretation method. Along these lines we provide a mathematical argument suggesting a reason for the apparent all-pervasiveness of inhibitory connections in living systems.

Space-Time Conservation Element and Solution Element Method Being Developed

NASA Technical Reports Server (NTRS)

Chang, Sin-Chung; Himansu, Ananda; Jorgenson, Philip C. E.; Loh, Ching-Yuen; Wang, Xiao-Yen; Yu, Sheng-Tao

1999-01-01

The engineering research and design requirements of today pose great computer-simulation challenges to engineers and scientists who are called on to analyze phenomena in continuum mechanics. The future will bring even more daunting challenges, when increasingly complex phenomena must be analyzed with increased accuracy. Traditionally used numerical simulation methods have evolved to their present state by repeated incremental extensions to broaden their scope. They are reaching the limits of their applicability and will need to be radically revised, at the very least, to meet future simulation challenges. At the NASA Lewis Research Center, researchers have been developing a new numerical framework for solving conservation laws in continuum mechanics, namely, the Space-Time Conservation Element and Solution Element Method, or the CE/SE method. This method has been built from fundamentals and is not a modification of any previously existing method. It has been designed with generality, simplicity, robustness, and accuracy as cornerstones. The CE/SE method has thus far been applied in the fields of computational fluid dynamics, computational aeroacoustics, and computational electromagnetics. Computer programs based on the CE/SE method have been developed for calculating flows in one, two, and three spatial dimensions. Results have been obtained for numerous problems and phenomena, including various shock-tube problems, ZND detonation waves, an implosion and explosion problem, shocks over a forward-facing step, a blast wave discharging from a nozzle, various acoustic waves, and shock/acoustic-wave interactions. The method can clearly resolve shock/acoustic-wave interactions, wherein the difference of the magnitude between the acoustic wave and shock could be up to six orders. In two-dimensional flows, the reflected shock is as crisp as the leading shock. CE/SE schemes are currently being used for advanced applications to jet and fan noise prediction and to chemically reacting flows.

Efficient and robust relaxation procedures for multi-component mixtures including phase transition

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

Han, Ee, E-mail: eehan@math.uni-bremen.de; Hantke, Maren, E-mail: maren.hantke@ovgu.de; Müller, Siegfried, E-mail: mueller@igpm.rwth-aachen.de

We consider a thermodynamic consistent multi-component model in multi-dimensions that is a generalization of the classical two-phase flow model of Baer and Nunziato. The exchange of mass, momentum and energy between the phases is described by additional source terms. Typically these terms are handled by relaxation procedures. Available relaxation procedures suffer from efficiency and robustness resulting in very costly computations that in general only allow for one-dimensional computations. Therefore we focus on the development of new efficient and robust numerical methods for relaxation processes. We derive exact procedures to determine mechanical and thermal equilibrium states. Further we introduce a novelmore » iterative method to treat the mass transfer for a three component mixture. All new procedures can be extended to an arbitrary number of inert ideal gases. We prove existence, uniqueness and physical admissibility of the resulting states and convergence of our new procedures. Efficiency and robustness of the procedures are verified by means of numerical computations in one and two space dimensions. - Highlights: • We develop novel relaxation procedures for a generalized, thermodynamically consistent Baer–Nunziato type model. • Exact procedures for mechanical and thermal relaxation procedures avoid artificial parameters. • Existence, uniqueness and physical admissibility of the equilibrium states are proven for special mixtures. • A novel iterative method for mass transfer is introduced for a three component mixture providing a unique and admissible equilibrium state.« less

The use of virtual environments for percentage view analysis.

PubMed

Schofield, Damian; Cox, Christopher J B

2005-09-01

It is recognised that Visual Impact Assessment (VIA), unlike many other aspects of Environmental Impact Assessments (EIA), relies less upon measurement than upon experience and judgement. Hence, it is necessary for a more structured and consistent approach towards VIA, reducing the amount of bias and subjectivity. For proposed developments, there are very few quantitative techniques for the evaluation of visibility, and these existing methods can be highly inaccurate and time consuming. Percentage view changes are one of the few quantitative techniques, and the use of computer technology can reduce the inaccuracy and the time spent evaluating the visibility of either existing or proposed developments. For over 10 years, research work undertaken by the authors at the University of Nottingham has employed Computer Graphics (CG) and Virtual Reality (VR) in civilian and industrial contexts for environmental planning, design visualisation, accident reconstruction, risk analysis, data visualisation and training simulators. This paper describes a method to quantitatively assess the visual impact of proposed developments on the landscape using CG techniques. This method allows the determination of accurate percentage view changes with the use of a computer-generated model of the environment and the application of specialist software that has been developed at the University of Nottingham. The principles are easy to understand and therefore planners, authorisation agencies and members of the public can use and understand the results. A case study is shown to demonstrate the application and the capabilities of the technology.

Progress and challenges in bioinformatics approaches for enhancer identification

PubMed Central

Kleftogiannis, Dimitrios; Kalnis, Panos

2016-01-01

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

Identification of Conserved Moieties in Metabolic Networks by Graph Theoretical Analysis of Atom Transition Networks

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

Haraldsdóttir, Hulda S.; Fleming, Ronan M. T.

Conserved moieties are groups of atoms that remain intact in all reactions of a metabolic network. Identification of conserved moieties gives insight into the structure and function of metabolic networks and facilitates metabolic modelling. All moiety conservation relations can be represented as nonnegative integer vectors in the left null space of the stoichiometric matrix corresponding to a biochemical network. Algorithms exist to compute such vectors based only on reaction stoichiometry but their computational complexity has limited their application to relatively small metabolic networks. Moreover, the vectors returned by existing algorithms do not, in general, represent conservation of a specific moietymore » with a defined atomic structure. Here, we show that identification of conserved moieties requires data on reaction atom mappings in addition to stoichiometry. We present a novel method to identify conserved moieties in metabolic networks by graph theoretical analysis of their underlying atom transition networks. Our method returns the exact group of atoms belonging to each conserved moiety as well as the corresponding vector in the left null space of the stoichiometric matrix. It can be implemented as a pipeline of polynomial time algorithms. Our implementation completes in under five minutes on a metabolic network with more than 4,000 mass balanced reactions. The scalability of the method enables extension of existing applications for moiety conservation relations to genome-scale metabolic networks. Finally, we also give examples of new applications made possible by elucidating the atomic structure of conserved moieties.« less

MISTICA: Minimum Spanning Tree-based Coarse Image Alignment for Microscopy Image Sequences

PubMed Central

Ray, Nilanjan; McArdle, Sara; Ley, Klaus; Acton, Scott T.

2016-01-01

Registration of an in vivo microscopy image sequence is necessary in many significant studies, including studies of atherosclerosis in large arteries and the heart. Significant cardiac and respiratory motion of the living subject, occasional spells of focal plane changes, drift in the field of view, and long image sequences are the principal roadblocks. The first step in such a registration process is the removal of translational and rotational motion. Next, a deformable registration can be performed. The focus of our study here is to remove the translation and/or rigid body motion that we refer to here as coarse alignment. The existing techniques for coarse alignment are unable to accommodate long sequences often consisting of periods of poor quality images (as quantified by a suitable perceptual measure). Many existing methods require the user to select an anchor image to which other images are registered. We propose a novel method for coarse image sequence alignment based on minimum weighted spanning trees (MISTICA) that overcomes these difficulties. The principal idea behind MISTICA is to re-order the images in shorter sequences, to demote nonconforming or poor quality images in the registration process, and to mitigate the error propagation. The anchor image is selected automatically making MISTICA completely automated. MISTICA is computationally efficient. It has a single tuning parameter that determines graph width, which can also be eliminated by way of additional computation. MISTICA outperforms existing alignment methods when applied to microscopy image sequences of mouse arteries. PMID:26415193

MISTICA: Minimum Spanning Tree-Based Coarse Image Alignment for Microscopy Image Sequences.

PubMed

Ray, Nilanjan; McArdle, Sara; Ley, Klaus; Acton, Scott T

2016-11-01

Registration of an in vivo microscopy image sequence is necessary in many significant studies, including studies of atherosclerosis in large arteries and the heart. Significant cardiac and respiratory motion of the living subject, occasional spells of focal plane changes, drift in the field of view, and long image sequences are the principal roadblocks. The first step in such a registration process is the removal of translational and rotational motion. Next, a deformable registration can be performed. The focus of our study here is to remove the translation and/or rigid body motion that we refer to here as coarse alignment. The existing techniques for coarse alignment are unable to accommodate long sequences often consisting of periods of poor quality images (as quantified by a suitable perceptual measure). Many existing methods require the user to select an anchor image to which other images are registered. We propose a novel method for coarse image sequence alignment based on minimum weighted spanning trees (MISTICA) that overcomes these difficulties. The principal idea behind MISTICA is to reorder the images in shorter sequences, to demote nonconforming or poor quality images in the registration process, and to mitigate the error propagation. The anchor image is selected automatically making MISTICA completely automated. MISTICA is computationally efficient. It has a single tuning parameter that determines graph width, which can also be eliminated by the way of additional computation. MISTICA outperforms existing alignment methods when applied to microscopy image sequences of mouse arteries.

Identification of Conserved Moieties in Metabolic Networks by Graph Theoretical Analysis of Atom Transition Networks

PubMed Central

Haraldsdóttir, Hulda S.; Fleming, Ronan M. T.

2016-01-01

Conserved moieties are groups of atoms that remain intact in all reactions of a metabolic network. Identification of conserved moieties gives insight into the structure and function of metabolic networks and facilitates metabolic modelling. All moiety conservation relations can be represented as nonnegative integer vectors in the left null space of the stoichiometric matrix corresponding to a biochemical network. Algorithms exist to compute such vectors based only on reaction stoichiometry but their computational complexity has limited their application to relatively small metabolic networks. Moreover, the vectors returned by existing algorithms do not, in general, represent conservation of a specific moiety with a defined atomic structure. Here, we show that identification of conserved moieties requires data on reaction atom mappings in addition to stoichiometry. We present a novel method to identify conserved moieties in metabolic networks by graph theoretical analysis of their underlying atom transition networks. Our method returns the exact group of atoms belonging to each conserved moiety as well as the corresponding vector in the left null space of the stoichiometric matrix. It can be implemented as a pipeline of polynomial time algorithms. Our implementation completes in under five minutes on a metabolic network with more than 4,000 mass balanced reactions. The scalability of the method enables extension of existing applications for moiety conservation relations to genome-scale metabolic networks. We also give examples of new applications made possible by elucidating the atomic structure of conserved moieties. PMID:27870845

Identification of Conserved Moieties in Metabolic Networks by Graph Theoretical Analysis of Atom Transition Networks

DOE PAGES

Haraldsdóttir, Hulda S.; Fleming, Ronan M. T.

2016-11-21

Conserved moieties are groups of atoms that remain intact in all reactions of a metabolic network. Identification of conserved moieties gives insight into the structure and function of metabolic networks and facilitates metabolic modelling. All moiety conservation relations can be represented as nonnegative integer vectors in the left null space of the stoichiometric matrix corresponding to a biochemical network. Algorithms exist to compute such vectors based only on reaction stoichiometry but their computational complexity has limited their application to relatively small metabolic networks. Moreover, the vectors returned by existing algorithms do not, in general, represent conservation of a specific moietymore » with a defined atomic structure. Here, we show that identification of conserved moieties requires data on reaction atom mappings in addition to stoichiometry. We present a novel method to identify conserved moieties in metabolic networks by graph theoretical analysis of their underlying atom transition networks. Our method returns the exact group of atoms belonging to each conserved moiety as well as the corresponding vector in the left null space of the stoichiometric matrix. It can be implemented as a pipeline of polynomial time algorithms. Our implementation completes in under five minutes on a metabolic network with more than 4,000 mass balanced reactions. The scalability of the method enables extension of existing applications for moiety conservation relations to genome-scale metabolic networks. Finally, we also give examples of new applications made possible by elucidating the atomic structure of conserved moieties.« less

Identification of Conserved Moieties in Metabolic Networks by Graph Theoretical Analysis of Atom Transition Networks.

PubMed

Haraldsdóttir, Hulda S; Fleming, Ronan M T

2016-11-01

Conserved moieties are groups of atoms that remain intact in all reactions of a metabolic network. Identification of conserved moieties gives insight into the structure and function of metabolic networks and facilitates metabolic modelling. All moiety conservation relations can be represented as nonnegative integer vectors in the left null space of the stoichiometric matrix corresponding to a biochemical network. Algorithms exist to compute such vectors based only on reaction stoichiometry but their computational complexity has limited their application to relatively small metabolic networks. Moreover, the vectors returned by existing algorithms do not, in general, represent conservation of a specific moiety with a defined atomic structure. Here, we show that identification of conserved moieties requires data on reaction atom mappings in addition to stoichiometry. We present a novel method to identify conserved moieties in metabolic networks by graph theoretical analysis of their underlying atom transition networks. Our method returns the exact group of atoms belonging to each conserved moiety as well as the corresponding vector in the left null space of the stoichiometric matrix. It can be implemented as a pipeline of polynomial time algorithms. Our implementation completes in under five minutes on a metabolic network with more than 4,000 mass balanced reactions. The scalability of the method enables extension of existing applications for moiety conservation relations to genome-scale metabolic networks. We also give examples of new applications made possible by elucidating the atomic structure of conserved moieties.

Acceleration of low order finite element computation with GPUs (Invited)

NASA Astrophysics Data System (ADS)

Knepley, M. G.

2010-12-01

Considerable effort has been focused on the acceleration using GPUs of high order spectral element methods and discontinuous Galerkin finite element methods. However, these methods are not universally applicable, and much of the existing FEM software base employs low order methods. In this talk, we present a formulation of FEM, using the PETSc framework from ANL, which is amenable to GPU acceleration even at very low order. In addition, using the FEniCS system for FEM, we show that the relevant kernels can be automatically generated and optimized using a symbolic manipulation system.

Formal Methods Specification and Verification Guidebook for Software and Computer Systems. Volume 1; Planning and Technology Insertion

NASA Technical Reports Server (NTRS)

1995-01-01

The Formal Methods Specification and Verification Guidebook for Software and Computer Systems describes a set of techniques called Formal Methods (FM), and outlines their use in the specification and verification of computer systems and software. Development of increasingly complex systems has created a need for improved specification and verification techniques. NASA's Safety and Mission Quality Office has supported the investigation of techniques such as FM, which are now an accepted method for enhancing the quality of aerospace applications. The guidebook provides information for managers and practitioners who are interested in integrating FM into an existing systems development process. Information includes technical and administrative considerations that must be addressed when establishing the use of FM on a specific project. The guidebook is intended to aid decision makers in the successful application of FM to the development of high-quality systems at reasonable cost. This is the first volume of a planned two-volume set. The current volume focuses on administrative and planning considerations for the successful application of FM.

Phase unwrapping with graph cuts optimization and dual decomposition acceleration for 3D high-resolution MRI data.

PubMed

Dong, Jianwu; Chen, Feng; Zhou, Dong; Liu, Tian; Yu, Zhaofei; Wang, Yi

2017-03-01

Existence of low SNR regions and rapid-phase variations pose challenges to spatial phase unwrapping algorithms. Global optimization-based phase unwrapping methods are widely used, but are significantly slower than greedy methods. In this paper, dual decomposition acceleration is introduced to speed up a three-dimensional graph cut-based phase unwrapping algorithm. The phase unwrapping problem is formulated as a global discrete energy minimization problem, whereas the technique of dual decomposition is used to increase the computational efficiency by splitting the full problem into overlapping subproblems and enforcing the congruence of overlapping variables. Using three dimensional (3D) multiecho gradient echo images from an agarose phantom and five brain hemorrhage patients, we compared this proposed method with an unaccelerated graph cut-based method. Experimental results show up to 18-fold acceleration in computation time. Dual decomposition significantly improves the computational efficiency of 3D graph cut-based phase unwrapping algorithms. Magn Reson Med 77:1353-1358, 2017. © 2016 International Society for Magnetic Resonance in Medicine. © 2016 International Society for Magnetic Resonance in Medicine.

Haplotype Reconstruction in Large Pedigrees with Many Untyped Individuals

NASA Astrophysics Data System (ADS)

Li, Xin; Li, Jing

Haplotypes, as they specify the linkage patterns between dispersed genetic variations, provide important information for understanding the genetics of human traits. However haplotypes are not directly available from current genotyping platforms, and hence there are extensive investigations of computational methods to recover such information. Two major computational challenges arising in current family-based disease studies are large family sizes and many ungenotyped family members. Traditional haplotyping methods can neither handle large families nor families with missing members. In this paper, we propose a method which addresses these issues by integrating multiple novel techniques. The method consists of three major components: pairwise identical-bydescent (IBD) inference, global IBD reconstruction and haplotype restoring. By reconstructing the global IBD of a family from pairwise IBD and then restoring the haplotypes based on the inferred IBD, this method can scale to large pedigrees, and more importantly it can handle families with missing members. Compared with existing methods, this method demonstrates much higher power to recover haplotype information, especially in families with many untyped individuals.

Extraction of drainage networks from large terrain datasets using high throughput computing

NASA Astrophysics Data System (ADS)

Gong, Jianya; Xie, Jibo

2009-02-01

Advanced digital photogrammetry and remote sensing technology produces large terrain datasets (LTD). How to process and use these LTD has become a big challenge for GIS users. Extracting drainage networks, which are basic for hydrological applications, from LTD is one of the typical applications of digital terrain analysis (DTA) in geographical information applications. Existing serial drainage algorithms cannot deal with large data volumes in a timely fashion, and few GIS platforms can process LTD beyond the GB size. High throughput computing (HTC), a distributed parallel computing mode, is proposed to improve the efficiency of drainage networks extraction from LTD. Drainage network extraction using HTC involves two key issues: (1) how to decompose the large DEM datasets into independent computing units and (2) how to merge the separate outputs into a final result. A new decomposition method is presented in which the large datasets are partitioned into independent computing units using natural watershed boundaries instead of using regular 1-dimensional (strip-wise) and 2-dimensional (block-wise) decomposition. Because the distribution of drainage networks is strongly related to watershed boundaries, the new decomposition method is more effective and natural. The method to extract natural watershed boundaries was improved by using multi-scale DEMs instead of single-scale DEMs. A HTC environment is employed to test the proposed methods with real datasets.

OMPC: an Open-Source MATLAB®-to-Python Compiler

PubMed Central

Jurica, Peter; van Leeuwen, Cees

2008-01-01

Free access to scientific information facilitates scientific progress. Open-access scientific journals are a first step in this direction; a further step is to make auxiliary and supplementary materials that accompany scientific publications, such as methodological procedures and data-analysis tools, open and accessible to the scientific community. To this purpose it is instrumental to establish a software base, which will grow toward a comprehensive free and open-source language of technical and scientific computing. Endeavors in this direction are met with an important obstacle. MATLAB®, the predominant computation tool in many fields of research, is a closed-source commercial product. To facilitate the transition to an open computation platform, we propose Open-source MATLAB®-to-Python Compiler (OMPC), a platform that uses syntax adaptation and emulation to allow transparent import of existing MATLAB® functions into Python programs. The imported MATLAB® modules will run independently of MATLAB®, relying on Python's numerical and scientific libraries. Python offers a stable and mature open source platform that, in many respects, surpasses commonly used, expensive commercial closed source packages. The proposed software will therefore facilitate the transparent transition towards a free and general open-source lingua franca for scientific computation, while enabling access to the existing methods and algorithms of technical computing already available in MATLAB®. OMPC is available at http://ompc.juricap.com. PMID:19225577

Estimating Small-area Populations by Age and Sex Using Spatial Interpolation and Statistical Inference Methods

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

Qai, Qiang; Rushton, Gerald; Bhaduri, Budhendra L

The objective of this research is to compute population estimates by age and sex for small areas whose boundaries are different from those for which the population counts were made. In our approach, population surfaces and age-sex proportion surfaces are separately estimated. Age-sex population estimates for small areas and their confidence intervals are then computed using a binomial model with the two surfaces as inputs. The approach was implemented for Iowa using a 90 m resolution population grid (LandScan USA) and U.S. Census 2000 population. Three spatial interpolation methods, the areal weighting (AW) method, the ordinary kriging (OK) method, andmore » a modification of the pycnophylactic method, were used on Census Tract populations to estimate the age-sex proportion surfaces. To verify the model, age-sex population estimates were computed for paired Block Groups that straddled Census Tracts and therefore were spatially misaligned with them. The pycnophylactic method and the OK method were more accurate than the AW method. The approach is general and can be used to estimate subgroup-count types of variables from information in existing administrative areas for custom-defined areas used as the spatial basis of support in other applications.« less

Two methods of Haustral fold detection from computed tomographic virtual colonoscopy images

NASA Astrophysics Data System (ADS)

Chowdhury, Ananda S.; Tan, Sovira; Yao, Jianhua; Linguraru, Marius G.; Summers, Ronald M.

2009-02-01

Virtual colonoscopy (VC) has gained popularity as a new colon diagnostic method over the last decade. VC is a new, less invasive alternative to the usually practiced optical colonoscopy for colorectal polyp and cancer screening, the second major cause of cancer related deaths in industrial nations. Haustral (colonic) folds serve as important landmarks for virtual endoscopic navigation in the existing computer-aided-diagnosis (CAD) system. In this paper, we propose and compare two different methods of haustral fold detection from volumetric computed tomographic virtual colonoscopy images. The colon lumen is segmented from the input using modified region growing and fuzzy connectedness. The first method for fold detection uses a level set that evolves on a mesh representation of the colon surface. The colon surface is obtained from the segmented colon lumen using the Marching Cubes algorithm. The second method for fold detection, based on a combination of heat diffusion and fuzzy c-means algorithm, is employed on the segmented colon volume. Folds obtained on the colon volume using this method are then transferred to the corresponding colon surface. After experimentation with different datasets, results are found to be promising. The results also demonstrate that the first method has a tendency of slight under-segmentation while the second method tends to slightly over-segment the folds.

Modeling Trait Anxiety: From Computational Processes to Personality

PubMed Central

Raymond, James G.; Steele, J. Douglas; Seriès, Peggy

2017-01-01

Computational methods are increasingly being applied to the study of psychiatric disorders. Often, this involves fitting models to the behavior of individuals with subclinical character traits that are known vulnerability factors for the development of psychiatric conditions. Anxiety disorders can be examined with reference to the behavior of individuals high in “trait” anxiety, which is a known vulnerability factor for the development of anxiety and mood disorders. However, it is not clear how this self-report measure relates to neural and behavioral processes captured by computational models. This paper reviews emerging computational approaches to the study of trait anxiety, specifying how interacting processes susceptible to analysis using computational models could drive a tendency to experience frequent anxious states and promote vulnerability to the development of clinical disorders. Existing computational studies are described in the light of this perspective and appropriate targets for future studies are discussed. PMID:28167920

Modeling Trait Anxiety: From Computational Processes to Personality.

PubMed

Raymond, James G; Steele, J Douglas; Seriès, Peggy

2017-01-01

Computational methods are increasingly being applied to the study of psychiatric disorders. Often, this involves fitting models to the behavior of individuals with subclinical character traits that are known vulnerability factors for the development of psychiatric conditions. Anxiety disorders can be examined with reference to the behavior of individuals high in "trait" anxiety, which is a known vulnerability factor for the development of anxiety and mood disorders. However, it is not clear how this self-report measure relates to neural and behavioral processes captured by computational models. This paper reviews emerging computational approaches to the study of trait anxiety, specifying how interacting processes susceptible to analysis using computational models could drive a tendency to experience frequent anxious states and promote vulnerability to the development of clinical disorders. Existing computational studies are described in the light of this perspective and appropriate targets for future studies are discussed.

On the Computation of Comprehensive Boolean Gröbner Bases

NASA Astrophysics Data System (ADS)

Inoue, Shutaro

We show that a comprehensive Boolean Gröbner basis of an ideal I in a Boolean polynomial ring B (bar A,bar X) with main variables bar X and parameters bar A can be obtained by simply computing a usual Boolean Gröbner basis of I regarding both bar X and bar A as variables with a certain block term order such that bar X ≫ bar A. The result together with a fact that a finite Boolean ring is isomorphic to a direct product of the Galois field mathbb{GF}_2 enables us to compute a comprehensive Boolean Gröbner basis by only computing corresponding Gröbner bases in a polynomial ring over mathbb{GF}_2. Our implementation in a computer algebra system Risa/Asir shows that our method is extremely efficient comparing with existing computation algorithms of comprehensive Boolean Gröbner bases.

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

NASA Astrophysics Data System (ADS)

Tang, H.; Sun, W.

2016-12-01

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

Parallelization of Finite Element Analysis Codes Using Heterogeneous Distributed Computing

NASA Technical Reports Server (NTRS)

Ozguner, Fusun

1996-01-01

Performance gains in computer design are quickly consumed as users seek to analyze larger problems to a higher degree of accuracy. Innovative computational methods, such as parallel and distributed computing, seek to multiply the power of existing hardware technology to satisfy the computational demands of large applications. In the early stages of this project, experiments were performed using two large, coarse-grained applications, CSTEM and METCAN. These applications were parallelized on an Intel iPSC/860 hypercube. It was found that the overall speedup was very low, due to large, inherently sequential code segments present in the applications. The overall execution time T(sub par), of the application is dependent on these sequential segments. If these segments make up a significant fraction of the overall code, the application will have a poor speedup measure.

Computed atmospheric corrections for satellite data. [in visible and near IR spectra

NASA Technical Reports Server (NTRS)

Fraser, R. S.

1975-01-01

The corrections are presented for the visible and near infrared spectrum. The specifications of earth-atmosphere models are given. Herman's and Dave's methods of computing the four Stokes parameters are presented. The relative differences between the two sets of values are one percent. The absolute accuracy of the computations can be established only by comparisons with measured data. Suitable observations do not yet exist. Nevertheless, comparisons are made between computed and aircraft and satellite measured radiances. Particulates are the principal atmospheric variable in the window bands. They have a large effect on the radiances when the surface reflectivity is low. When the surface reflectivity exceeds 0.1, only absorbing particulates have a large effect on the reflectivity, unless the atmospheric turbidity is high. The ranges of the Multispectral Scanner responses to atmospheric effects are computed.

Computing the multifractal spectrum from time series: an algorithmic approach.

PubMed

Harikrishnan, K P; Misra, R; Ambika, G; Amritkar, R E

2009-12-01

We show that the existing methods for computing the f(alpha) spectrum from a time series can be improved by using a new algorithmic scheme. The scheme relies on the basic idea that the smooth convex profile of a typical f(alpha) spectrum can be fitted with an analytic function involving a set of four independent parameters. While the standard existing schemes [P. Grassberger et al., J. Stat. Phys. 51, 135 (1988); A. Chhabra and R. V. Jensen, Phys. Rev. Lett. 62, 1327 (1989)] generally compute only an incomplete f(alpha) spectrum (usually the top portion), we show that this can be overcome by an algorithmic approach, which is automated to compute the D(q) and f(alpha) spectra from a time series for any embedding dimension. The scheme is first tested with the logistic attractor with known f(alpha) curve and subsequently applied to higher-dimensional cases. We also show that the scheme can be effectively adapted for analyzing practical time series involving noise, with examples from two widely different real world systems. Moreover, some preliminary results indicating that the set of four independent parameters may be used as diagnostic measures are also included.

Sideloading - Ingestion of Large Point Clouds Into the Apache Spark Big Data Engine

NASA Astrophysics Data System (ADS)

Boehm, J.; Liu, K.; Alis, C.

2016-06-01

In the geospatial domain we have now reached the point where data volumes we handle have clearly grown beyond the capacity of most desktop computers. This is particularly true in the area of point cloud processing. It is therefore naturally lucrative to explore established big data frameworks for big geospatial data. The very first hurdle is the import of geospatial data into big data frameworks, commonly referred to as data ingestion. Geospatial data is typically encoded in specialised binary file formats, which are not naturally supported by the existing big data frameworks. Instead such file formats are supported by software libraries that are restricted to single CPU execution. We present an approach that allows the use of existing point cloud file format libraries on the Apache Spark big data framework. We demonstrate the ingestion of large volumes of point cloud data into a compute cluster. The approach uses a map function to distribute the data ingestion across the nodes of a cluster. We test the capabilities of the proposed method to load billions of points into a commodity hardware compute cluster and we discuss the implications on scalability and performance. The performance is benchmarked against an existing native Apache Spark data import implementation.

Assessment of Different Discrete Particle Methods Ability To Predict Gas-Particle Flow in a Small-Scale Fluidized Bed

DOE PAGES

Lu, Liqiang; Gopalan, Balaji; Benyahia, Sofiane

2017-06-21

Several discrete particle methods exist in the open literature to simulate fluidized bed systems, such as discrete element method (DEM), time driven hard sphere (TDHS), coarse-grained particle method (CGPM), coarse grained hard sphere (CGHS), and multi-phase particle-in-cell (MP-PIC). These different approaches usually solve the fluid phase in a Eulerian fixed frame of reference and the particle phase using the Lagrangian method. The first difference between these models lies in tracking either real particles or lumped parcels. The second difference is in the treatment of particle-particle interactions: by calculating collision forces (DEM and CGPM), using momentum conservation laws (TDHS and CGHS),more » or based on particle stress model (MP-PIC). These major model differences lead to a wide range of results accuracy and computation speed. However, these models have never been compared directly using the same experimental dataset. In this research, a small-scale fluidized bed is simulated with these methods using the same open-source code MFIX. The results indicate that modeling the particle-particle collision by TDHS increases the computation speed while maintaining good accuracy. Also, lumping few particles in a parcel increases the computation speed with little loss in accuracy. However, modeling particle-particle interactions with solids stress leads to a big loss in accuracy with a little increase in computation speed. The MP-PIC method predicts an unphysical particle-particle overlap, which results in incorrect voidage distribution and incorrect overall bed hydrodynamics. Based on this study, we recommend using the CGHS method for fluidized bed simulations due to its computational speed that rivals that of MPPIC while maintaining a much better accuracy.« less

Assessment of Different Discrete Particle Methods Ability To Predict Gas-Particle Flow in a Small-Scale Fluidized Bed

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

Lu, Liqiang; Gopalan, Balaji; Benyahia, Sofiane

Several discrete particle methods exist in the open literature to simulate fluidized bed systems, such as discrete element method (DEM), time driven hard sphere (TDHS), coarse-grained particle method (CGPM), coarse grained hard sphere (CGHS), and multi-phase particle-in-cell (MP-PIC). These different approaches usually solve the fluid phase in a Eulerian fixed frame of reference and the particle phase using the Lagrangian method. The first difference between these models lies in tracking either real particles or lumped parcels. The second difference is in the treatment of particle-particle interactions: by calculating collision forces (DEM and CGPM), using momentum conservation laws (TDHS and CGHS),more » or based on particle stress model (MP-PIC). These major model differences lead to a wide range of results accuracy and computation speed. However, these models have never been compared directly using the same experimental dataset. In this research, a small-scale fluidized bed is simulated with these methods using the same open-source code MFIX. The results indicate that modeling the particle-particle collision by TDHS increases the computation speed while maintaining good accuracy. Also, lumping few particles in a parcel increases the computation speed with little loss in accuracy. However, modeling particle-particle interactions with solids stress leads to a big loss in accuracy with a little increase in computation speed. The MP-PIC method predicts an unphysical particle-particle overlap, which results in incorrect voidage distribution and incorrect overall bed hydrodynamics. Based on this study, we recommend using the CGHS method for fluidized bed simulations due to its computational speed that rivals that of MPPIC while maintaining a much better accuracy.« less

Multispectral computational ghost imaging with multiplexed illumination

NASA Astrophysics Data System (ADS)

Huang, Jian; Shi, Dongfeng

2017-07-01

Computational ghost imaging has attracted wide attention from researchers in many fields over the last two decades. Multispectral imaging as one application of computational ghost imaging possesses spatial and spectral resolving abilities, and is very useful for surveying scenes and extracting detailed information. Existing multispectral imagers mostly utilize narrow band filters or dispersive optical devices to separate light of different wavelengths, and then use multiple bucket detectors or an array detector to record them separately. Here, we propose a novel multispectral ghost imaging method that uses one single bucket detector with multiplexed illumination to produce a colored image. The multiplexed illumination patterns are produced by three binary encoded matrices (corresponding to the red, green and blue colored information, respectively) and random patterns. The results of the simulation and experiment have verified that our method can be effective in recovering the colored object. Multispectral images are produced simultaneously by one single-pixel detector, which significantly reduces the amount of data acquisition.

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

NASA Technical Reports Server (NTRS)

Bossel, H. H.

1972-01-01

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

Spin density and orbital optimization in open shell systems: A rational and computationally efficient proposal

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

Giner, Emmanuel, E-mail: gnrmnl@unife.it; Angeli, Celestino, E-mail: anc@unife.it

2016-03-14

The present work describes a new method to compute accurate spin densities for open shell systems. The proposed approach follows two steps: first, it provides molecular orbitals which correctly take into account the spin delocalization; second, a proper CI treatment allows to account for the spin polarization effect while keeping a restricted formalism and avoiding spin contamination. The main idea of the optimization procedure is based on the orbital relaxation of the various charge transfer determinants responsible for the spin delocalization. The algorithm is tested and compared to other existing methods on a series of organic and inorganic open shellmore » systems. The results reported here show that the new approach (almost black-box) provides accurate spin densities at a reasonable computational cost making it suitable for a systematic study of open shell systems.« less

Design of automata theory of cubical complexes with applications to diagnosis and algorithmic description

NASA Technical Reports Server (NTRS)

Roth, J. P.

1972-01-01

The following problems are considered: (1) methods for development of logic design together with algorithms, so that it is possible to compute a test for any failure in the logic design, if such a test exists, and developing algorithms and heuristics for the purpose of minimizing the computation for tests; and (2) a method of design of logic for ultra LSI (large scale integration). It was discovered that the so-called quantum calculus can be extended to render it possible: (1) to describe the functional behavior of a mechanism component by component, and (2) to compute tests for failures, in the mechanism, using the diagnosis algorithm. The development of an algorithm for the multioutput two-level minimization problem is presented and the program MIN 360 was written for this algorithm. The program has options of mode (exact minimum or various approximations), cost function, cost bound, etc., providing flexibility.

Integrating computer programs for engineering analysis and design

NASA Technical Reports Server (NTRS)

Wilhite, A. W.; Crisp, V. K.; Johnson, S. C.

1983-01-01

The design of a third-generation system for integrating computer programs for engineering and design has been developed for the Aerospace Vehicle Interactive Design (AVID) system. This system consists of an engineering data management system, program interface software, a user interface, and a geometry system. A relational information system (ARIS) was developed specifically for the computer-aided engineering system. It is used for a repository of design data that are communicated between analysis programs, for a dictionary that describes these design data, for a directory that describes the analysis programs, and for other system functions. A method is described for interfacing independent analysis programs into a loosely-coupled design system. This method emphasizes an interactive extension of analysis techniques and manipulation of design data. Also, integrity mechanisms exist to maintain database correctness for multidisciplinary design tasks by an individual or a team of specialists. Finally, a prototype user interface program has been developed to aid in system utilization.

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

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

Peterka, Tom; Morozov, Dmitriy; Phillips, Carolyn

2014-11-14

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

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

NASA Astrophysics Data System (ADS)

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

2011-12-01

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

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

PubMed

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

2004-11-21

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

A computationally efficient modelling of laminar separation bubbles

NASA Technical Reports Server (NTRS)

Maughmer, Mark D.

1988-01-01

The goal of this research is to accurately predict the characteristics of the laminar separation bubble and its effects on airfoil performance. To this end, a model of the bubble is under development and will be incorporated in the analysis section of the Eppler and Somers program. As a first step in this direction, an existing bubble model was inserted into the program. It was decided to address the problem of the short bubble before attempting the prediction of the long bubble. In the second place, an integral boundary-layer method is believed more desirable than a finite difference approach. While these two methods achieve similar prediction accuracy, finite-difference methods tend to involve significantly longer computer run times than the integral methods. Finally, as the boundary-layer analysis in the Eppler and Somers program employs the momentum and kinetic energy integral equations, a short-bubble model compatible with these equations is most preferable.

LCAMP: Location Constrained Approximate Message Passing for Compressed Sensing MRI

PubMed Central

Sung, Kyunghyun; Daniel, Bruce L; Hargreaves, Brian A

2016-01-01

Iterative thresholding methods have been extensively studied as faster alternatives to convex optimization methods for solving large-sized problems in compressed sensing. A novel iterative thresholding method called LCAMP (Location Constrained Approximate Message Passing) is presented for reducing computational complexity and improving reconstruction accuracy when a nonzero location (or sparse support) constraint can be obtained from view shared images. LCAMP modifies the existing approximate message passing algorithm by replacing the thresholding stage with a location constraint, which avoids adjusting regularization parameters or thresholding levels. This work is first compared with other conventional reconstruction methods using random 1D signals and then applied to dynamic contrast-enhanced breast MRI to demonstrate the excellent reconstruction accuracy (less than 2% absolute difference) and low computation time (5 - 10 seconds using Matlab) with highly undersampled 3D data (244 × 128 × 48; overall reduction factor = 10). PMID:23042658

Paradigms of Evaluation in Natural Language Processing: Field Linguistics for Glass Box Testing

ERIC Educational Resources Information Center

Cohen, Kevin Bretonnel

2010-01-01

Although software testing has been well-studied in computer science, it has received little attention in natural language processing. Nonetheless, a fully developed methodology for glass box evaluation and testing of language processing applications already exists in the field methods of descriptive linguistics. This work lays out a number of…

BOX-COUNTING DIMENSION COMPUTED BY α-DENSE CURVES

NASA Astrophysics Data System (ADS)

García, G.; Mora, G.; Redtwitz, D. A.

We introduce a method to reduce to the real case the calculus of the box-counting dimension of subsets of the unit cube In, n > 1. The procedure is based on the existence of special types of α-dense curves (a generalization of the space-filling curves) in In called δ-uniform curves.

A System for English Vocabulary Acquisition Based on Code-Switching

ERIC Educational Resources Information Center

Mazur, Michal; Karolczak, Krzysztof; Rzepka, Rafal; Araki, Kenji

2016-01-01

Vocabulary plays an important part in second language learning and there are many existing techniques to facilitate word acquisition. One of these methods is code-switching, or mixing the vocabulary of two languages in one sentence. In this paper the authors propose an experimental system for computer-assisted English vocabulary learning in…

"Dear Fresher …"--How Online Questionnaires Can Improve Learning and Teaching Statistics

ERIC Educational Resources Information Center

Bebermeier, Sarah; Nussbeck, Fridtjof W.; Ontrup, Greta

2015-01-01

Lecturers teaching statistics are faced with several challenges supporting students' learning in appropriate ways. A variety of methods and tools exist to facilitate students' learning on statistics courses. The online questionnaires presented in this report are a new, slightly different computer-based tool: the central aim was to support students…

Requirements for Programming Languages in Computer-Based Instructional Systems.

ERIC Educational Resources Information Center

Zinn, Karl

The author reviews the instructional programing languages which already exist and describes their methods of presentation, organization, and preparation. He recommends that all research and development projects remain flexible in their choice of programing language for a time yet. He suggests ways to adapt to specific uses and users, to exploit…

A computational method for drug repositioning using publicly available gene expression data.

PubMed

Shabana, K M; Abdul Nazeer, K A; Pradhan, Meeta; Palakal, Mathew

2015-01-01

The identification of new therapeutic uses of existing drugs, or drug repositioning, offers the possibility of faster drug development, reduced risk, lesser cost and shorter paths to approval. The advent of high throughput microarray technology has enabled comprehensive monitoring of transcriptional response associated with various disease states and drug treatments. This data can be used to characterize disease and drug effects and thereby give a measure of the association between a given drug and a disease. Several computational methods have been proposed in the literature that make use of publicly available transcriptional data to reposition drugs against diseases. In this work, we carry out a data mining process using publicly available gene expression data sets associated with a few diseases and drugs, to identify the existing drugs that can be used to treat genes causing lung cancer and breast cancer. Three strong candidates for repurposing have been identified- Letrozole and GDC-0941 against lung cancer, and Ribavirin against breast cancer. Letrozole and GDC-0941 are drugs currently used in breast cancer treatment and Ribavirin is used in the treatment of Hepatitis C.

Efficient Computing Budget Allocation for Finding Simplest Good Designs

PubMed Central

Jia, Qing-Shan; Zhou, Enlu; Chen, Chun-Hung

2012-01-01

In many applications some designs are easier to implement, require less training data and shorter training time, and consume less storage than the others. Such designs are called simple designs, and are usually preferred over complex ones when they all have good performance. Despite the abundant existing studies on how to find good designs in simulation-based optimization (SBO), there exist few studies on finding simplest good designs. We consider this important problem in this paper, and make the following contributions. First, we provide lower bounds for the probabilities of correctly selecting the m simplest designs with top performance, and selecting the best m such simplest good designs, respectively. Second, we develop two efficient computing budget allocation methods to find m simplest good designs and to find the best m such designs, respectively; and show their asymptotic optimalities. Third, we compare the performance of the two methods with equal allocations over 6 academic examples and a smoke detection problem in wireless sensor networks. We hope that this work brings insight to finding the simplest good designs in general. PMID:23687404

A third-order computational method for numerical fluxes to guarantee nonnegative difference coefficients for advection-diffusion equations in a semi-conservative form

NASA Astrophysics Data System (ADS)

Sakai, K.; Watabe, D.; Minamidani, T.; Zhang, G. S.

2012-10-01

According to Godunov theorem for numerical calculations of advection equations, there exist no higher-order schemes with constant positive difference coefficients in a family of polynomial schemes with an accuracy exceeding the first-order. We propose a third-order computational scheme for numerical fluxes to guarantee the non-negative difference coefficients of resulting finite difference equations for advection-diffusion equations in a semi-conservative form, in which there exist two kinds of numerical fluxes at a cell surface and these two fluxes are not always coincident in non-uniform velocity fields. The present scheme is optimized so as to minimize truncation errors for the numerical fluxes while fulfilling the positivity condition of the difference coefficients which are variable depending on the local Courant number and diffusion number. The feature of the present optimized scheme consists in keeping the third-order accuracy anywhere without any numerical flux limiter. We extend the present method into multi-dimensional equations. Numerical experiments for advection-diffusion equations showed nonoscillatory solutions.

Numerical discretization-based estimation methods for ordinary differential equation models via penalized spline smoothing with applications in biomedical research.

PubMed

Wu, Hulin; Xue, Hongqi; Kumar, Arun

2012-06-01

Differential equations are extensively used for modeling dynamics of physical processes in many scientific fields such as engineering, physics, and biomedical sciences. Parameter estimation of differential equation models is a challenging problem because of high computational cost and high-dimensional parameter space. In this article, we propose a novel class of methods for estimating parameters in ordinary differential equation (ODE) models, which is motivated by HIV dynamics modeling. The new methods exploit the form of numerical discretization algorithms for an ODE solver to formulate estimating equations. First, a penalized-spline approach is employed to estimate the state variables and the estimated state variables are then plugged in a discretization formula of an ODE solver to obtain the ODE parameter estimates via a regression approach. We consider three different order of discretization methods, Euler's method, trapezoidal rule, and Runge-Kutta method. A higher-order numerical algorithm reduces numerical error in the approximation of the derivative, which produces a more accurate estimate, but its computational cost is higher. To balance the computational cost and estimation accuracy, we demonstrate, via simulation studies, that the trapezoidal discretization-based estimate is the best and is recommended for practical use. The asymptotic properties for the proposed numerical discretization-based estimators are established. Comparisons between the proposed methods and existing methods show a clear benefit of the proposed methods in regards to the trade-off between computational cost and estimation accuracy. We apply the proposed methods t an HIV study to further illustrate the usefulness of the proposed approaches. © 2012, The International Biometric Society.

ProMotE: an efficient algorithm for counting independent motifs in uncertain network topologies.

PubMed

Ren, Yuanfang; Sarkar, Aisharjya; Kahveci, Tamer

2018-06-26

Identifying motifs in biological networks is essential in uncovering key functions served by these networks. Finding non-overlapping motif instances is however a computationally challenging task. The fact that biological interactions are uncertain events further complicates the problem, as it makes the existence of an embedding of a given motif an uncertain event as well. In this paper, we develop a novel method, ProMotE (Probabilistic Motif Embedding), to count non-overlapping embeddings of a given motif in probabilistic networks. We utilize a polynomial model to capture the uncertainty. We develop three strategies to scale our algorithm to large networks. Our experiments demonstrate that our method scales to large networks in practical time with high accuracy where existing methods fail. Moreover, our experiments on cancer and degenerative disease networks show that our method helps in uncovering key functional characteristics of biological networks.

Analysis of Genome-Wide Association Studies with Multiple Outcomes Using Penalization

PubMed Central

Liu, Jin; Huang, Jian; Ma, Shuangge

2012-01-01

Genome-wide association studies have been extensively conducted, searching for markers for biologically meaningful outcomes and phenotypes. Penalization methods have been adopted in the analysis of the joint effects of a large number of SNPs (single nucleotide polymorphisms) and marker identification. This study is partly motivated by the analysis of heterogeneous stock mice dataset, in which multiple correlated phenotypes and a large number of SNPs are available. Existing penalization methods designed to analyze a single response variable cannot accommodate the correlation among multiple response variables. With multiple response variables sharing the same set of markers, joint modeling is first employed to accommodate the correlation. The group Lasso approach is adopted to select markers associated with all the outcome variables. An efficient computational algorithm is developed. Simulation study and analysis of the heterogeneous stock mice dataset show that the proposed method can outperform existing penalization methods. PMID:23272092

Fast reconstruction of off-axis digital holograms based on digital spatial multiplexing.

PubMed

Sha, Bei; Liu, Xuan; Ge, Xiao-Lu; Guo, Cheng-Shan

2014-09-22

A method for fast reconstruction of off-axis digital holograms based on digital multiplexing algorithm is proposed. Instead of the existed angular multiplexing (AM), the new method utilizes a spatial multiplexing (SM) algorithm, in which four off-axis holograms recorded in sequence are synthesized into one SM function through multiplying each hologram with a tilted plane wave and then adding them up. In comparison with the conventional methods, the SM algorithm simplifies two-dimensional (2-D) Fourier transforms (FTs) of four N*N arrays into a 1.25-D FTs of one N*N arrays. Experimental results demonstrate that, using the SM algorithm, the computational efficiency can be improved and the reconstructed wavefronts keep the same quality as those retrieved based on the existed AM method. This algorithm may be useful in design of a fast preview system of dynamic wavefront imaging in digital holography.

Modeling of unit operating considerations in generating-capacity reliability evaluation. Volume 1. Mathematical models, computing methods, and results. Final report. [GENESIS, OPCON and OPPLAN

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

Patton, A.D.; Ayoub, A.K.; Singh, C.

1982-07-01

Existing methods for generating capacity reliability evaluation do not explicitly recognize a number of operating considerations which may have important effects in system reliability performance. Thus, current methods may yield estimates of system reliability which differ appreciably from actual observed reliability. Further, current methods offer no means of accurately studying or evaluating alternatives which may differ in one or more operating considerations. Operating considerations which are considered to be important in generating capacity reliability evaluation include: unit duty cycles as influenced by load cycle shape, reliability performance of other units, unit commitment policy, and operating reserve policy; unit start-up failuresmore » distinct from unit running failures; unit start-up times; and unit outage postponability and the management of postponable outages. A detailed Monte Carlo simulation computer model called GENESIS and two analytical models called OPCON and OPPLAN have been developed which are capable of incorporating the effects of many operating considerations including those noted above. These computer models have been used to study a variety of actual and synthetic systems and are available from EPRI. The new models are shown to produce system reliability indices which differ appreciably from index values computed using traditional models which do not recognize operating considerations.« less

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

PubMed

Zhang, Shanwen; Wu, Xiaowei; You, Zhuhong

2017-01-01

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

Recent advances, and unresolved issues, in the application of computational modelling to the prediction of the biological effects of nanomaterials

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

Winkler, David A., E-mail: dave.winkler@csiro.au

2016-05-15

Nanomaterials research is one of the fastest growing contemporary research areas. The unprecedented properties of these materials have meant that they are being incorporated into products very quickly. Regulatory agencies are concerned they cannot assess the potential hazards of these materials adequately, as data on the biological properties of nanomaterials are still relatively limited and expensive to acquire. Computational modelling methods have much to offer in helping understand the mechanisms by which toxicity may occur, and in predicting the likelihood of adverse biological impacts of materials not yet tested experimentally. This paper reviews the progress these methods, particularly those QSAR-based,more » have made in understanding and predicting potentially adverse biological effects of nanomaterials, and also the limitations and pitfalls of these methods. - Highlights: • Nanomaterials regulators need good information to make good decisions. • Nanomaterials and their interactions with biology are very complex. • Computational methods use existing data to predict properties of new nanomaterials. • Statistical, data driven modelling methods have been successfully applied to this task. • Much more must be learnt before robust toolkits will be widely usable by regulators.« less

Novel Method for Incorporating Model Uncertainties into Gravitational Wave Parameter Estimates

NASA Astrophysics Data System (ADS)

Moore, Christopher J.; Gair, Jonathan R.

2014-12-01

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

Computational Testing for Automated Preprocessing 2: Practical Demonstration of a System for Scientific Data-Processing Workflow Management for High-Volume EEG

PubMed Central

Cowley, Benjamin U.; Korpela, Jussi

2018-01-01

Existing tools for the preprocessing of EEG data provide a large choice of methods to suitably prepare and analyse a given dataset. Yet it remains a challenge for the average user to integrate methods for batch processing of the increasingly large datasets of modern research, and compare methods to choose an optimal approach across the many possible parameter configurations. Additionally, many tools still require a high degree of manual decision making for, e.g., the classification of artifacts in channels, epochs or segments. This introduces extra subjectivity, is slow, and is not reproducible. Batching and well-designed automation can help to regularize EEG preprocessing, and thus reduce human effort, subjectivity, and consequent error. The Computational Testing for Automated Preprocessing (CTAP) toolbox facilitates: (i) batch processing that is easy for experts and novices alike; (ii) testing and comparison of preprocessing methods. Here we demonstrate the application of CTAP to high-resolution EEG data in three modes of use. First, a linear processing pipeline with mostly default parameters illustrates ease-of-use for naive users. Second, a branching pipeline illustrates CTAP's support for comparison of competing methods. Third, a pipeline with built-in parameter-sweeping illustrates CTAP's capability to support data-driven method parameterization. CTAP extends the existing functions and data structure from the well-known EEGLAB toolbox, based on Matlab, and produces extensive quality control outputs. CTAP is available under MIT open-source licence from https://github.com/bwrc/ctap. PMID:29692705

Computational Testing for Automated Preprocessing 2: Practical Demonstration of a System for Scientific Data-Processing Workflow Management for High-Volume EEG.

PubMed

Cowley, Benjamin U; Korpela, Jussi

2018-01-01

Existing tools for the preprocessing of EEG data provide a large choice of methods to suitably prepare and analyse a given dataset. Yet it remains a challenge for the average user to integrate methods for batch processing of the increasingly large datasets of modern research, and compare methods to choose an optimal approach across the many possible parameter configurations. Additionally, many tools still require a high degree of manual decision making for, e.g., the classification of artifacts in channels, epochs or segments. This introduces extra subjectivity, is slow, and is not reproducible. Batching and well-designed automation can help to regularize EEG preprocessing, and thus reduce human effort, subjectivity, and consequent error. The Computational Testing for Automated Preprocessing (CTAP) toolbox facilitates: (i) batch processing that is easy for experts and novices alike; (ii) testing and comparison of preprocessing methods. Here we demonstrate the application of CTAP to high-resolution EEG data in three modes of use. First, a linear processing pipeline with mostly default parameters illustrates ease-of-use for naive users. Second, a branching pipeline illustrates CTAP's support for comparison of competing methods. Third, a pipeline with built-in parameter-sweeping illustrates CTAP's capability to support data-driven method parameterization. CTAP extends the existing functions and data structure from the well-known EEGLAB toolbox, based on Matlab, and produces extensive quality control outputs. CTAP is available under MIT open-source licence from https://github.com/bwrc/ctap.

Computational test bench and flow chart for wavefront sensors

NASA Astrophysics Data System (ADS)

Abecassis, Úrsula V.; de Lima Monteiro, Davies W.; Salles, Luciana P.; Stanigher, Rafaela; Borges, Euller

2014-05-01

The wavefront reconstruction diagram has come to supply the need in literature of an ampler vision over the many methods and optronic devices used for the reconstruction of wavefronts and to show the existing interactions between those. A computational platform has been developed using the diagram's orientation for the taking of decision over the best technique and the photo sensible and electronic structures to be implemented. This work will be directed to an ophthalmological application in the development of an instrument of help for the diagnosis of optical aberrations of the human eye.

Research on Computer Aided Innovation Model of Weapon Equipment Requirement Demonstration

NASA Astrophysics Data System (ADS)

Li, Yong; Guo, Qisheng; Wang, Rui; Li, Liang

Firstly, in order to overcome the shortcoming of using only AD or TRIZ solely, and solve the problems currently existed in weapon equipment requirement demonstration, the paper construct the method system of weapon equipment requirement demonstration combining QFD, AD, TRIZ, FA. Then, we construct a CAI model frame of weapon equipment requirement demonstration, which include requirement decomposed model, requirement mapping model and requirement plan optimization model. Finally, we construct the computer aided innovation model of weapon equipment requirement demonstration, and developed CAI software of equipment requirement demonstration.

Semantic Interaction for Visual Analytics: Toward Coupling Cognition and Computation

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

Endert, Alexander

2014-07-01

The dissertation discussed in this article [1] was written in the midst of an era of digitization. The world is becoming increasingly instrumented with sensors, monitoring, and other methods for generating data describing social, physical, and natural phenomena. Thus, data exist with the potential of being analyzed to uncover, or discover, the phenomena from which it was created. However, as the analytic models leveraged to analyze these data continue to increase in complexity and computational capability, how can visualizations and user interaction methodologies adapt and evolve to continue to foster discovery and sensemaking?

Computed tomography of orbital tumors in the dog.

PubMed

LeCouteur, R A; Fike, J R; Scagliotti, R H; Cann, C E

1982-04-15

Computed tomography (CT) was used to investigate orbital tumors in 3 dogs. Tumors were clearly defined on transverse CT scans by their inherent density and gross distortion of normal orbital anatomy. Dorsal images synthesized from the original transverse scans were also used to visualize size and extent of tumors. Use of an iodinated contrast medium did not appear to improve localization of tumors in the orbit but was useful for identification of tumor extension into the calvaria. It was concluded that CT offered advantages over existing methods of radiographic diagnosis of orbital tumors and exophthalmos.

BCILAB: a platform for brain-computer interface development

NASA Astrophysics Data System (ADS)

Kothe, Christian Andreas; Makeig, Scott

2013-10-01

Objective. The past two decades have seen dramatic progress in our ability to model brain signals recorded by electroencephalography, functional near-infrared spectroscopy, etc., and to derive real-time estimates of user cognitive state, response, or intent for a variety of purposes: to restore communication by the severely disabled, to effect brain-actuated control and, more recently, to augment human-computer interaction. Continuing these advances, largely achieved through increases in computational power and methods, requires software tools to streamline the creation, testing, evaluation and deployment of new data analysis methods. Approach. Here we present BCILAB, an open-source MATLAB-based toolbox built to address the need for the development and testing of brain-computer interface (BCI) methods by providing an organized collection of over 100 pre-implemented methods and method variants, an easily extensible framework for the rapid prototyping of new methods, and a highly automated framework for systematic testing and evaluation of new implementations. Main results. To validate and illustrate the use of the framework, we present two sample analyses of publicly available data sets from recent BCI competitions and from a rapid serial visual presentation task. We demonstrate the straightforward use of BCILAB to obtain results compatible with the current BCI literature. Significance. The aim of the BCILAB toolbox is to provide the BCI community a powerful toolkit for methods research and evaluation, thereby helping to accelerate the pace of innovation in the field, while complementing the existing spectrum of tools for real-time BCI experimentation, deployment and use.

A Hyperspherical Adaptive Sparse-Grid Method for High-Dimensional Discontinuity Detection

DOE PAGES

Zhang, Guannan; Webster, Clayton G.; Gunzburger, Max D.; ...

2015-06-24

This study proposes and analyzes a hyperspherical adaptive hierarchical sparse-grid method for detecting jump discontinuities of functions in high-dimensional spaces. The method is motivated by the theoretical and computational inefficiencies of well-known adaptive sparse-grid methods for discontinuity detection. Our novel approach constructs a function representation of the discontinuity hypersurface of an N-dimensional discontinuous quantity of interest, by virtue of a hyperspherical transformation. Then, a sparse-grid approximation of the transformed function is built in the hyperspherical coordinate system, whose value at each point is estimated by solving a one-dimensional discontinuity detection problem. Due to the smoothness of the hypersurface, the newmore » technique can identify jump discontinuities with significantly reduced computational cost, compared to existing methods. In addition, hierarchical acceleration techniques are also incorporated to further reduce the overall complexity. Rigorous complexity analyses of the new method are provided as are several numerical examples that illustrate the effectiveness of the approach.« less

A hyper-spherical adaptive sparse-grid method for high-dimensional discontinuity detection

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

Zhang, Guannan; Webster, Clayton G.; Gunzburger, Max D.

This work proposes and analyzes a hyper-spherical adaptive hierarchical sparse-grid method for detecting jump discontinuities of functions in high-dimensional spaces is proposed. The method is motivated by the theoretical and computational inefficiencies of well-known adaptive sparse-grid methods for discontinuity detection. Our novel approach constructs a function representation of the discontinuity hyper-surface of an N-dimensional dis- continuous quantity of interest, by virtue of a hyper-spherical transformation. Then, a sparse-grid approximation of the transformed function is built in the hyper-spherical coordinate system, whose value at each point is estimated by solving a one-dimensional discontinuity detection problem. Due to the smoothness of themore » hyper-surface, the new technique can identify jump discontinuities with significantly reduced computational cost, compared to existing methods. Moreover, hierarchical acceleration techniques are also incorporated to further reduce the overall complexity. Rigorous error estimates and complexity analyses of the new method are provided as are several numerical examples that illustrate the effectiveness of the approach.« less

The Quantum Human Computer (QHC) Hypothesis

ERIC Educational Resources Information Center

Salmani-Nodoushan, Mohammad Ali

2008-01-01

This article attempts to suggest the existence of a human computer called Quantum Human Computer (QHC) on the basis of an analogy between human beings and computers. To date, there are two types of computers: Binary and Quantum. The former operates on the basis of binary logic where an object is said to exist in either of the two states of 1 and…

On the existence of mosaic-skeleton approximations for discrete analogues of integral operators

NASA Astrophysics Data System (ADS)

Kashirin, A. A.; Taltykina, M. Yu.

2017-09-01

Exterior three-dimensional Dirichlet problems for the Laplace and Helmholtz equations are considered. By applying methods of potential theory, they are reduced to equivalent Fredholm boundary integral equations of the first kind, for which discrete analogues, i.e., systems of linear algebraic equations (SLAEs) are constructed. The existence of mosaic-skeleton approximations for the matrices of the indicated systems is proved. These approximations make it possible to reduce the computational complexity of an iterative solution of the SLAEs. Numerical experiments estimating the capabilities of the proposed approach are described.

Computational gestalts and perception thresholds.

PubMed

Desolneux, Agnès; Moisan, Lionel; Morel, Jean-Michel

2003-01-01

In 1923, Max Wertheimer proposed a research programme and method in visual perception. He conjectured the existence of a small set of geometric grouping laws governing the perceptual synthesis of phenomenal objects, or "gestalt" from the atomic retina input. In this paper, we review this set of geometric grouping laws, using the works of Metzger, Kanizsa and their schools. In continuation, we explain why the Gestalt theory research programme can be translated into a Computer Vision programme. This translation is not straightforward, since Gestalt theory never addressed two fundamental matters: image sampling and image information measurements. Using these advances, we shall show that gestalt grouping laws can be translated into quantitative laws allowing the automatic computation of gestalts in digital images. From the psychophysical viewpoint, a main issue is raised: the computer vision gestalt detection methods deliver predictable perception thresholds. Thus, we are set in a position where we can build artificial images and check whether some kind of agreement can be found between the computationally predicted thresholds and the psychophysical ones. We describe and discuss two preliminary sets of experiments, where we compared the gestalt detection performance of several subjects with the predictable detection curve. In our opinion, the results of this experimental comparison support the idea of a much more systematic interaction between computational predictions in Computer Vision and psychophysical experiments.

A multi-scale network method for two-phase flow in porous media

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

Khayrat, Karim, E-mail: khayratk@ifd.mavt.ethz.ch; Jenny, Patrick

Pore-network models of porous media are useful in the study of pore-scale flow in porous media. In order to extract macroscopic properties from flow simulations in pore-networks, it is crucial the networks are large enough to be considered representative elementary volumes. However, existing two-phase network flow solvers are limited to relatively small domains. For this purpose, a multi-scale pore-network (MSPN) method, which takes into account flow-rate effects and can simulate larger domains compared to existing methods, was developed. In our solution algorithm, a large pore network is partitioned into several smaller sub-networks. The algorithm to advance the fluid interfaces withinmore » each subnetwork consists of three steps. First, a global pressure problem on the network is solved approximately using the multiscale finite volume (MSFV) method. Next, the fluxes across the subnetworks are computed. Lastly, using fluxes as boundary conditions, a dynamic two-phase flow solver is used to advance the solution in time. Simulation results of drainage scenarios at different capillary numbers and unfavourable viscosity ratios are presented and used to validate the MSPN method against solutions obtained by an existing dynamic network flow solver.« less

An efficient and general numerical method to compute steady uniform vortices

NASA Astrophysics Data System (ADS)

Luzzatto-Fegiz, Paolo; Williamson, Charles H. K.

2011-07-01

Steady uniform vortices are widely used to represent high Reynolds number flows, yet their efficient computation still presents some challenges. Existing Newton iteration methods become inefficient as the vortices develop fine-scale features; in addition, these methods cannot, in general, find solutions with specified Casimir invariants. On the other hand, available relaxation approaches are computationally inexpensive, but can fail to converge to a solution. In this paper, we overcome these limitations by introducing a new discretization, based on an inverse-velocity map, which radically increases the efficiency of Newton iteration methods. In addition, we introduce a procedure to prescribe Casimirs and remove the degeneracies in the steady vorticity equation, thus ensuring convergence for general vortex configurations. We illustrate our methodology by considering several unbounded flows involving one or two vortices. Our method enables the computation, for the first time, of steady vortices that do not exhibit any geometric symmetry. In addition, we discover that, as the limiting vortex state for each flow is approached, each family of solutions traces a clockwise spiral in a bifurcation plot consisting of a velocity-impulse diagram. By the recently introduced "IVI diagram" stability approach [Phys. Rev. Lett. 104 (2010) 044504], each turn of this spiral is associated with a loss of stability for the steady flows. Such spiral structure is suggested to be a universal feature of steady, uniform-vorticity flows.

FMLRC: Hybrid long read error correction using an FM-index.

PubMed

Wang, Jeremy R; Holt, James; McMillan, Leonard; Jones, Corbin D

2018-02-09

Long read sequencing is changing the landscape of genomic research, especially de novo assembly. Despite the high error rate inherent to long read technologies, increased read lengths dramatically improve the continuity and accuracy of genome assemblies. However, the cost and throughput of these technologies limits their application to complex genomes. One solution is to decrease the cost and time to assemble novel genomes by leveraging "hybrid" assemblies that use long reads for scaffolding and short reads for accuracy. We describe a novel method leveraging a multi-string Burrows-Wheeler Transform with auxiliary FM-index to correct errors in long read sequences using a set of complementary short reads. We demonstrate that our method efficiently produces significantly more high quality corrected sequence than existing hybrid error-correction methods. We also show that our method produces more contiguous assemblies, in many cases, than existing state-of-the-art hybrid and long-read only de novo assembly methods. Our method accurately corrects long read sequence data using complementary short reads. We demonstrate higher total throughput of corrected long reads and a corresponding increase in contiguity of the resulting de novo assemblies. Improved throughput and computational efficiency than existing methods will help better economically utilize emerging long read sequencing technologies.

Problems Discovery of Final Graduation Projects During the Software Development Processes

NASA Astrophysics Data System (ADS)

Al-Hagery, Mohammed Abdullah Hassan

2012-01-01

The traditional techniques and methods used by students during systems development at the College of Computer, Qassim University is leading to this study. It leads to identify problems that hinder the construction and development of information systems, and identify their causes. The most important stages of systems development are analysis and design, which represent a solid foundation to build strong systems that are free from errors. The motivation of this research is the existence of many problems that impede getting exact output after the development of systems by the university graduates within departments of computer. The research concentrates on discovering the problems during the development tasks. The required data were collected using a questionnaire method, which formulated and judged and distributed to the target population. The research results were analyzed by three statistic methods.

A method of computationally enhanced detection of chromatogram regions with apparent high relative agonist activity.

PubMed

Price, J A

1998-08-01

An occasional but difficult problem arises in drug discovery during a chromatographic analysis in which high background activity is associated with the presence of most eluting molecular species. This makes the isolation of material of high relative activity difficult. A computational method is shown that clarifies the identification of regions of the chromatogram of interest. The data for bioactivity and absorbance are normalized to percent of maximal response, filtered to raise very small or zero values to a minimal level, and the activity/absorbance ratio is plotted per fraction. The fractions with relatively high activity become evident. This technique is a helpful adjunct to existing graphical methods and provides an objective relationship between the data sets. It is simple to implement with Visual Basic and spreadsheet data, making it widely accessible.

Motion-induced error reduction by combining Fourier transform profilometry with phase-shifting profilometry.

PubMed

Li, Beiwen; Liu, Ziping; Zhang, Song

2016-10-03

We propose a hybrid computational framework to reduce motion-induced measurement error by combining the Fourier transform profilometry (FTP) and phase-shifting profilometry (PSP). The proposed method is composed of three major steps: Step 1 is to extract continuous relative phase maps for each isolated object with single-shot FTP method and spatial phase unwrapping; Step 2 is to obtain an absolute phase map of the entire scene using PSP method, albeit motion-induced errors exist on the extracted absolute phase map; and Step 3 is to shift the continuous relative phase maps from Step 1 to generate final absolute phase maps for each isolated object by referring to the absolute phase map with error from Step 2. Experiments demonstrate the success of the proposed computational framework for measuring multiple isolated rapidly moving objects.

Computational analysis of an aortic valve jet

NASA Astrophysics Data System (ADS)

Shadden, Shawn C.; Astorino, Matteo; Gerbeau, Jean-Frédéric

2009-11-01

In this work we employ a coupled FSI scheme using an immersed boundary method to simulate flow through a realistic deformable, 3D aortic valve model. This data was used to compute Lagrangian coherent structures, which revealed flow separation from the valve leaflets during systole, and correspondingly, the boundary between the jet of ejected fluid and the regions of separated, recirculating flow. Advantages of computing LCS in multi-dimensional FSI models of the aortic valve are twofold. For one, the quality and effectiveness of existing clinical indices used to measure aortic jet size can be tested by taking advantage of the accurate measure of the jet area derived from LCS. Secondly, as an ultimate goal, a reliable computational framework for the assessment of the aortic valve stenosis could be developed.

Plans and Example Results for the 2nd AIAA Aeroelastic Prediction Workshop

NASA Technical Reports Server (NTRS)

Heeg, Jennifer; Chwalowski, Pawel; Schuster, David M.; Raveh, Daniella; Jirasek, Adam; Dalenbring, Mats

2015-01-01

This paper summarizes the plans for the second AIAA Aeroelastic Prediction Workshop. The workshop is designed to assess the state-of-the-art of computational methods for predicting unsteady flow fields and aeroelastic response. The goals are to provide an impartial forum to evaluate the effectiveness of existing computer codes and modeling techniques, and to identify computational and experimental areas needing additional research and development. This paper provides guidelines and instructions for participants including the computational aerodynamic model, the structural dynamic properties, the experimental comparison data and the expected output data from simulations. The Benchmark Supercritical Wing (BSCW) has been chosen as the configuration for this workshop. The analyses to be performed will include aeroelastic flutter solutions of the wing mounted on a pitch-and-plunge apparatus.

Solution of quadratic matrix equations for free vibration analysis of structures.

NASA Technical Reports Server (NTRS)

Gupta, K. K.

1973-01-01

An efficient digital computer procedure and the related numerical algorithm are presented herein for the solution of quadratic matrix equations associated with free vibration analysis of structures. Such a procedure enables accurate and economical analysis of natural frequencies and associated modes of discretized structures. The numerically stable algorithm is based on the Sturm sequence method, which fully exploits the banded form of associated stiffness and mass matrices. The related computer program written in FORTRAN V for the JPL UNIVAC 1108 computer proves to be substantially more accurate and economical than other existing procedures of such analysis. Numerical examples are presented for two structures - a cantilever beam and a semicircular arch.

Creating, documenting and sharing network models.

PubMed

Crook, Sharon M; Bednar, James A; Berger, Sandra; Cannon, Robert; Davison, Andrew P; Djurfeldt, Mikael; Eppler, Jochen; Kriener, Birgit; Furber, Steve; Graham, Bruce; Plesser, Hans E; Schwabe, Lars; Smith, Leslie; Steuber, Volker; van Albada, Sacha

2012-01-01

As computational neuroscience matures, many simulation environments are available that are useful for neuronal network modeling. However, methods for successfully documenting models for publication and for exchanging models and model components among these projects are still under development. Here we briefly review existing software and applications for network model creation, documentation and exchange. Then we discuss a few of the larger issues facing the field of computational neuroscience regarding network modeling and suggest solutions to some of these problems, concentrating in particular on standardized network model terminology, notation, and descriptions and explicit documentation of model scaling. We hope this will enable and encourage computational neuroscientists to share their models more systematically in the future.

Improving salt marsh digital elevation model accuracy with full-waveform lidar and nonparametric predictive modeling

NASA Astrophysics Data System (ADS)

Rogers, Jeffrey N.; Parrish, Christopher E.; Ward, Larry G.; Burdick, David M.

2018-03-01

Salt marsh vegetation tends to increase vertical uncertainty in light detection and ranging (lidar) derived elevation data, often causing the data to become ineffective for analysis of topographic features governing tidal inundation or vegetation zonation. Previous attempts at improving lidar data collected in salt marsh environments range from simply computing and subtracting the global elevation bias to more complex methods such as computing vegetation-specific, constant correction factors. The vegetation specific corrections can be used along with an existing habitat map to apply separate corrections to different areas within a study site. It is hypothesized here that correcting salt marsh lidar data by applying location-specific, point-by-point corrections, which are computed from lidar waveform-derived features, tidal-datum based elevation, distance from shoreline and other lidar digital elevation model based variables, using nonparametric regression will produce better results. The methods were developed and tested using full-waveform lidar and ground truth for three marshes in Cape Cod, Massachusetts, U.S.A. Five different model algorithms for nonparametric regression were evaluated, with TreeNet's stochastic gradient boosting algorithm consistently producing better regression and classification results. Additionally, models were constructed to predict the vegetative zone (high marsh and low marsh). The predictive modeling methods used in this study estimated ground elevation with a mean bias of 0.00 m and a standard deviation of 0.07 m (0.07 m root mean square error). These methods appear very promising for correction of salt marsh lidar data and, importantly, do not require an existing habitat map, biomass measurements, or image based remote sensing data such as multi/hyperspectral imagery.

A Systematic Prediction of Drug-Target Interactions Using Molecular Fingerprints and Protein Sequences.

PubMed

Huang, Yu-An; You, Zhu-Hong; Chen, Xing

2018-01-01

Drug-Target Interactions (DTI) play a crucial role in discovering new drug candidates and finding new proteins to target for drug development. Although the number of detected DTI obtained by high-throughput techniques has been increasing, the number of known DTI is still limited. On the other hand, the experimental methods for detecting the interactions among drugs and proteins are costly and inefficient. Therefore, computational approaches for predicting DTI are drawing increasing attention in recent years. In this paper, we report a novel computational model for predicting the DTI using extremely randomized trees model and protein amino acids information. More specifically, the protein sequence is represented as a Pseudo Substitution Matrix Representation (Pseudo-SMR) descriptor in which the influence of biological evolutionary information is retained. For the representation of drug molecules, a novel fingerprint feature vector is utilized to describe its substructure information. Then the DTI pair is characterized by concatenating the two vector spaces of protein sequence and drug substructure. Finally, the proposed method is explored for predicting the DTI on four benchmark datasets: Enzyme, Ion Channel, GPCRs and Nuclear Receptor. The experimental results demonstrate that this method achieves promising prediction accuracies of 89.85%, 87.87%, 82.99% and 81.67%, respectively. For further evaluation, we compared the performance of Extremely Randomized Trees model with that of the state-of-the-art Support Vector Machine classifier. And we also compared the proposed model with existing computational models, and confirmed 15 potential drug-target interactions by looking for existing databases. The experiment results show that the proposed method is feasible and promising for predicting drug-target interactions for new drug candidate screening based on sizeable features. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

Computers and the Internet: Tools for Youth Empowerment

PubMed Central

2005-01-01

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

A Comprehensive Review of Existing Risk Assessment Models in Cloud Computing

NASA Astrophysics Data System (ADS)

Amini, Ahmad; Jamil, Norziana

2018-05-01

Cloud computing is a popular paradigm in information technology and computing as it offers numerous advantages in terms of economical saving and minimal management effort. Although elasticity and flexibility brings tremendous benefits, it still raises many information security issues due to its unique characteristic that allows ubiquitous computing. Therefore, the vulnerabilities and threats in cloud computing have to be identified and proper risk assessment mechanism has to be in place for better cloud computing management. Various quantitative and qualitative risk assessment models have been proposed but up to our knowledge, none of them is suitable for cloud computing environment. This paper, we compare and analyse the strengths and weaknesses of existing risk assessment models. We then propose a new risk assessment model that sufficiently address all the characteristics of cloud computing, which was not appeared in the existing models.

An extended set of yeast-based functional assays accurately identifies human disease mutations

PubMed Central

Sun, Song; Yang, Fan; Tan, Guihong; Costanzo, Michael; Oughtred, Rose; Hirschman, Jodi; Theesfeld, Chandra L.; Bansal, Pritpal; Sahni, Nidhi; Yi, Song; Yu, Analyn; Tyagi, Tanya; Tie, Cathy; Hill, David E.; Vidal, Marc; Andrews, Brenda J.; Boone, Charles; Dolinski, Kara; Roth, Frederick P.

2016-01-01

We can now routinely identify coding variants within individual human genomes. A pressing challenge is to determine which variants disrupt the function of disease-associated genes. Both experimental and computational methods exist to predict pathogenicity of human genetic variation. However, a systematic performance comparison between them has been lacking. Therefore, we developed and exploited a panel of 26 yeast-based functional complementation assays to measure the impact of 179 variants (101 disease- and 78 non-disease-associated variants) from 22 human disease genes. Using the resulting reference standard, we show that experimental functional assays in a 1-billion-year diverged model organism can identify pathogenic alleles with significantly higher precision and specificity than current computational methods. PMID:26975778

The estimation of the rate of change of yawing moment with sideslip

NASA Technical Reports Server (NTRS)

Imlay, Frederick H

1938-01-01

Wind-tunnel data are presented on the rate of change of yawing moment with sideslip for tests of 9 complete airplane models, 20 fuselage shapes, and 3 wing models with various combinations of dihedral, sweepback, and twist. The data were collected during a survey of existing information, which was made to find a reliable method of computing the yawing moment due to sideslip. Important errors common to methods of computation used at present appear to be due to large interference effects, the investigation of which will undoubtedly require an extensive program of systematic wind-tunnel tests. At present it is necessary to place considerable reliance on past design experience in proportioning an airplane so as to obtain a reasonable degree of directional stability.

Evaluation of Content-Matched Range Monitoring Queries over Moving Objects in Mobile Computing Environments.

PubMed

Jung, HaRim; Song, MoonBae; Youn, Hee Yong; Kim, Ung Mo

2015-09-18

A content-matched (CM) rangemonitoring query overmoving objects continually retrieves the moving objects (i) whose non-spatial attribute values are matched to given non-spatial query values; and (ii) that are currently located within a given spatial query range. In this paper, we propose a new query indexing structure, called the group-aware query region tree (GQR-tree) for efficient evaluation of CMrange monitoring queries. The primary role of the GQR-tree is to help the server leverage the computational capabilities of moving objects in order to improve the system performance in terms of the wireless communication cost and server workload. Through a series of comprehensive simulations, we verify the superiority of the GQR-tree method over the existing methods.

Vision-based calibration of parallax barrier displays

NASA Astrophysics Data System (ADS)

Ranieri, Nicola; Gross, Markus

2014-03-01

Static and dynamic parallax barrier displays became very popular over the past years. Especially for single viewer applications like tablets, phones and other hand-held devices, parallax barriers provide a convenient solution to render stereoscopic content. In our work we present a computer vision based calibration approach to relate image layer and barrier layer of parallax barrier displays with unknown display geometry for static or dynamic viewer positions using homographies. We provide the math and methods to compose the required homographies on the fly and present a way to compute the barrier without the need of any iteration. Our GPU implementation is stable and general and can be used to reduce latency and increase refresh rate of existing and upcoming barrier methods.

SCCT guidelines for the performance and acquisition of coronary computed tomographic angiography: A report of the society of Cardiovascular Computed Tomography Guidelines Committee: Endorsed by the North American Society for Cardiovascular Imaging (NASCI).

PubMed

Abbara, Suhny; Blanke, Philipp; Maroules, Christopher D; Cheezum, Michael; Choi, Andrew D; Han, B Kelly; Marwan, Mohamed; Naoum, Chris; Norgaard, Bjarne L; Rubinshtein, Ronen; Schoenhagen, Paul; Villines, Todd; Leipsic, Jonathon

In response to recent technological advancements in acquisition techniques as well as a growing body of evidence regarding the optimal performance of coronary computed tomography angiography (coronary CTA), the Society of Cardiovascular Computed Tomography Guidelines Committee has produced this update to its previously established 2009 "Guidelines for the Performance of Coronary CTA" (1). The purpose of this document is to provide standards meant to ensure reliable practice methods and quality outcomes based on the best available data in order to improve the diagnostic care of patients. Society of Cardiovascular Computed Tomography Guidelines for the Interpretation is published separately (2). The Society of Cardiovascular Computed Tomography Guidelines Committee ensures compliance with all existing standards for the declaration of conflict of interest by all authors and reviewers for the purpose ofclarity and transparency. Copyright © 2016 Society of Cardiovascular Computed Tomography. All rights reserved.

FIND: difFerential chromatin INteractions Detection using a spatial Poisson process

PubMed Central

Chen, Yang; Zhang, Michael Q.

2018-01-01

Polymer-based simulations and experimental studies indicate the existence of a spatial dependency between the adjacent DNA fibers involved in the formation of chromatin loops. However, the existing strategies for detecting differential chromatin interactions assume that the interacting segments are spatially independent from the other segments nearby. To resolve this issue, we developed a new computational method, FIND, which considers the local spatial dependency between interacting loci. FIND uses a spatial Poisson process to detect differential chromatin interactions that show a significant difference in their interaction frequency and the interaction frequency of their neighbors. Simulation and biological data analysis show that FIND outperforms the widely used count-based methods and has a better signal-to-noise ratio. PMID:29440282

Differential privacy based on importance weighting

PubMed Central

Ji, Zhanglong

2014-01-01

This paper analyzes a novel method for publishing data while still protecting privacy. The method is based on computing weights that make an existing dataset, for which there are no confidentiality issues, analogous to the dataset that must be kept private. The existing dataset may be genuine but public already, or it may be synthetic. The weights are importance sampling weights, but to protect privacy, they are regularized and have noise added. The weights allow statistical queries to be answered approximately while provably guaranteeing differential privacy. We derive an expression for the asymptotic variance of the approximate answers. Experiments show that the new mechanism performs well even when the privacy budget is small, and when the public and private datasets are drawn from different populations. PMID:24482559

Velocity profile, water-surface slope, and bed-material size for selected streams in Colorado

USGS Publications Warehouse

Marchand, J.P.; Jarrett, R.D.; Jones, L.L.

1984-01-01

Existing methods for determining the mean velocity in a vertical sampling section do not address the conditions present in high-gradient, shallow-depth streams common to mountainous regions such as Colorado. The report presents velocity-profile data that were collected for 11 streamflow-gaging stations in Colorado using both a standard Price type AA current meter and a prototype Price Model PAA current meter. Computational results are compiled that will enable mean velocities calculated from measurements by the two current meters to be compared with each other and with existing methods for determining mean velocity. Water-surface slope, bed-material size, and flow-characteristic data for the 11 sites studied also are presented. (USGS)

Legendre-tau approximation for functional differential equations. Part 2: The linear quadratic optimal control problem

NASA Technical Reports Server (NTRS)

Ito, K.; Teglas, R.

1984-01-01

The numerical scheme based on the Legendre-tau approximation is proposed to approximate the feedback solution to the linear quadratic optimal control problem for hereditary differential systems. The convergence property is established using Trotter ideas. The method yields very good approximations at low orders and provides an approximation technique for computing closed-loop eigenvalues of the feedback system. A comparison with existing methods (based on averaging and spline approximations) is made.

Legendre-tau approximation for functional differential equations. II - The linear quadratic optimal control problem

NASA Technical Reports Server (NTRS)

Ito, Kazufumi; Teglas, Russell

1987-01-01

The numerical scheme based on the Legendre-tau approximation is proposed to approximate the feedback solution to the linear quadratic optimal control problem for hereditary differential systems. The convergence property is established using Trotter ideas. The method yields very good approximations at low orders and provides an approximation technique for computing closed-loop eigenvalues of the feedback system. A comparison with existing methods (based on averaging and spline approximations) is made.

Big climate data analysis

NASA Astrophysics Data System (ADS)

Mudelsee, Manfred

2015-04-01

The Big Data era has begun also in the climate sciences, not only in economics or molecular biology. We measure climate at increasing spatial resolution by means of satellites and look farther back in time at increasing temporal resolution by means of natural archives and proxy data. We use powerful supercomputers to run climate models. The model output of the calculations made for the IPCC's Fifth Assessment Report amounts to ~650 TB. The 'scientific evolution' of grid computing has started, and the 'scientific revolution' of quantum computing is being prepared. This will increase computing power, and data amount, by several orders of magnitude in the future. However, more data does not automatically mean more knowledge. We need statisticians, who are at the core of transforming data into knowledge. Statisticians notably also explore the limits of our knowledge (uncertainties, that is, confidence intervals and P-values). Mudelsee (2014 Climate Time Series Analysis: Classical Statistical and Bootstrap Methods. Second edition. Springer, Cham, xxxii + 454 pp.) coined the term 'optimal estimation'. Consider the hyperspace of climate estimation. It has many, but not infinite, dimensions. It consists of the three subspaces Monte Carlo design, method and measure. The Monte Carlo design describes the data generating process. The method subspace describes the estimation and confidence interval construction. The measure subspace describes how to detect the optimal estimation method for the Monte Carlo experiment. The envisaged large increase in computing power may bring the following idea of optimal climate estimation into existence. Given a data sample, some prior information (e.g. measurement standard errors) and a set of questions (parameters to be estimated), the first task is simple: perform an initial estimation on basis of existing knowledge and experience with such types of estimation problems. The second task requires the computing power: explore the hyperspace to find the suitable method, that is, the mode of estimation and uncertainty-measure determination that optimizes a selected measure for prescribed values close to the initial estimates. Also here, intelligent exploration methods (gradient, Brent, etc.) are useful. The third task is to apply the optimal estimation method to the climate dataset. This conference paper illustrates by means of three examples that optimal estimation has the potential to shape future big climate data analysis. First, we consider various hypothesis tests to study whether climate extremes are increasing in their occurrence. Second, we compare Pearson's and Spearman's correlation measures. Third, we introduce a novel estimator of the tail index, which helps to better quantify climate-change related risks.

Automation of CT-based haemorrhagic stroke assessment for improved clinical outcomes: study protocol and design

PubMed Central

Chinda, Betty; Medvedev, George; Siu, William; Ester, Martin; Arab, Ali; Gu, Tao; Moreno, Sylvain; D’Arcy, Ryan C N; Song, Xiaowei

2018-01-01

Introduction Haemorrhagic stroke is of significant healthcare concern due to its association with high mortality and lasting impact on the survivors’ quality of life. Treatment decisions and clinical outcomes depend strongly on the size, spread and location of the haematoma. Non-contrast CT (NCCT) is the primary neuroimaging modality for haematoma assessment in haemorrhagic stroke diagnosis. Current procedures do not allow convenient NCCT-based haemorrhage volume calculation in clinical settings, while research-based approaches are yet to be tested for clinical utility; there is a demonstrated need for developing effective solutions. The project under review investigates the development of an automatic NCCT-based haematoma computation tool in support of accurate quantification of haematoma volumes. Methods and analysis Several existing research methods for haematoma volume estimation are studied. Selected methods are tested using NCCT images of patients diagnosed with acute haemorrhagic stroke. For inter-rater and intrarater reliability evaluation, different raters will analyse haemorrhage volumes independently. The efficiency with respect to time of haematoma volume assessments will be examined to compare with the results from routine clinical evaluations and planimetry assessment that are known to be more accurate. The project will target the development of an enhanced solution by adapting existing methods and integrating machine learning algorithms. NCCT-based information of brain haemorrhage (eg, size, volume, location) and other relevant information (eg, age, sex, risk factor, comorbidities) will be used in relation to clinical outcomes with future project development. Validity and reliability of the solution will be examined for potential clinical utility. Ethics and dissemination The project including procedures for deidentification of NCCT data has been ethically approved. The study involves secondary use of existing data and does not require new consent of participation. The team consists of clinical neuroimaging scientists, computing scientists and clinical professionals in neurology and neuroradiology and includes patient representatives. Research outputs will be disseminated following knowledge translation plans towards improving stroke patient care. Significant findings will be published in scientific journals. Anticipated deliverables include computer solutions for improved clinical assessment of haematoma using NCCT. PMID:29674371

Intra- and Inter-Fractional Variation Prediction of Lung Tumors Using Fuzzy Deep Learning

PubMed Central

Park, Seonyeong; Lee, Suk Jin; Weiss, Elisabeth

2016-01-01

Tumor movements should be accurately predicted to improve delivery accuracy and reduce unnecessary radiation exposure to healthy tissue during radiotherapy. The tumor movements pertaining to respiration are divided into intra-fractional variation occurring in a single treatment session and inter-fractional variation arising between different sessions. Most studies of patients’ respiration movements deal with intra-fractional variation. Previous studies on inter-fractional variation are hardly mathematized and cannot predict movements well due to inconstant variation. Moreover, the computation time of the prediction should be reduced. To overcome these limitations, we propose a new predictor for intra- and inter-fractional data variation, called intra- and inter-fraction fuzzy deep learning (IIFDL), where FDL, equipped with breathing clustering, predicts the movement accurately and decreases the computation time. Through the experimental results, we validated that the IIFDL improved root-mean-square error (RMSE) by 29.98% and prediction overshoot by 70.93%, compared with existing methods. The results also showed that the IIFDL enhanced the average RMSE and overshoot by 59.73% and 83.27%, respectively. In addition, the average computation time of IIFDL was 1.54 ms for both intra- and inter-fractional variation, which was much smaller than the existing methods. Therefore, the proposed IIFDL might achieve real-time estimation as well as better tracking techniques in radiotherapy. PMID:27170914

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

PubMed

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

2017-12-18

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

Stochastic weighted particle methods for population balance equations with coagulation, fragmentation and spatial inhomogeneity

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

Lee, Kok Foong; Patterson, Robert I.A.; Wagner, Wolfgang

2015-12-15

Graphical abstract: -- Highlights: •Problems concerning multi-compartment population balance equations are studied. •A class of fragmentation weight transfer functions is presented. •Three stochastic weighted algorithms are compared against the direct simulation algorithm. •The numerical errors of the stochastic solutions are assessed as a function of fragmentation rate. •The algorithms are applied to a multi-dimensional granulation model. -- Abstract: This paper introduces stochastic weighted particle algorithms for the solution of multi-compartment population balance equations. In particular, it presents a class of fragmentation weight transfer functions which are constructed such that the number of computational particles stays constant during fragmentation events. Themore » weight transfer functions are constructed based on systems of weighted computational particles and each of it leads to a stochastic particle algorithm for the numerical treatment of population balance equations. Besides fragmentation, the algorithms also consider physical processes such as coagulation and the exchange of mass with the surroundings. The numerical properties of the algorithms are compared to the direct simulation algorithm and an existing method for the fragmentation of weighted particles. It is found that the new algorithms show better numerical performance over the two existing methods especially for systems with significant amount of large particles and high fragmentation rates.« less

A meta-analysis of outcomes from the use of computer-simulated experiments in science education

NASA Astrophysics Data System (ADS)

Lejeune, John Van

The purpose of this study was to synthesize the findings from existing research on the effects of computer simulated experiments on students in science education. Results from 40 reports were integrated by the process of meta-analysis to examine the effect of computer-simulated experiments and interactive videodisc simulations on student achievement and attitudes. Findings indicated significant positive differences in both low-level and high-level achievement of students who use computer-simulated experiments and interactive videodisc simulations as compared to students who used more traditional learning activities. No significant differences in retention, student attitudes toward the subject, or toward the educational method were found. Based on the findings of this study, computer-simulated experiments and interactive videodisc simulations should be used to enhance students' learning in science, especially in cases where the use of traditional laboratory activities are expensive, dangerous, or impractical.

Review methods for image segmentation from computed tomography images

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

Mamat, Nurwahidah; Rahman, Wan Eny Zarina Wan Abdul; Soh, Shaharuddin Cik

Image segmentation is a challenging process in order to get the accuracy of segmentation, automation and robustness especially in medical images. There exist many segmentation methods that can be implemented to medical images but not all methods are suitable. For the medical purposes, the aims of image segmentation are to study the anatomical structure, identify the region of interest, measure tissue volume to measure growth of tumor and help in treatment planning prior to radiation therapy. In this paper, we present a review method for segmentation purposes using Computed Tomography (CT) images. CT images has their own characteristics that affectmore » the ability to visualize anatomic structures and pathologic features such as blurring of the image and visual noise. The details about the methods, the goodness and the problem incurred in the methods will be defined and explained. It is necessary to know the suitable segmentation method in order to get accurate segmentation. This paper can be a guide to researcher to choose the suitable segmentation method especially in segmenting the images from CT scan.« less

Comparison of Spatiotemporal Mapping Techniques for Enormous Etl and Exploitation Patterns

NASA Astrophysics Data System (ADS)

Deiotte, R.; La Valley, R.

2017-10-01

The need to extract, transform, and exploit enormous volumes of spatiotemporal data has exploded with the rise of social media, advanced military sensors, wearables, automotive tracking, etc. However, current methods of spatiotemporal encoding and exploitation simultaneously limit the use of that information and increase computing complexity. Current spatiotemporal encoding methods from Niemeyer and Usher rely on a Z-order space filling curve, a relative of Peano's 1890 space filling curve, for spatial hashing and interleaving temporal hashes to generate a spatiotemporal encoding. However, there exist other space-filling curves, and that provide different manifold coverings that could promote better hashing techniques for spatial data and have the potential to map spatiotemporal data without interleaving. The concatenation of Niemeyer's and Usher's techniques provide a highly efficient space-time index. However, other methods have advantages and disadvantages regarding computational cost, efficiency, and utility. This paper explores the several methods using a range of sizes of data sets from 1K to 10M observations and provides a comparison of the methods.

Clinical MR-mammography: are computer-assisted methods superior to visual or manual measurements for curve type analysis? A systematic approach.

PubMed

Baltzer, Pascal Andreas Thomas; Freiberg, Christian; Beger, Sebastian; Vag, Tibor; Dietzel, Matthias; Herzog, Aimee B; Gajda, Mieczyslaw; Camara, Oumar; Kaiser, Werner A

2009-09-01

Enhancement characteristics after administration of a contrast agent are regarded as a major criterion for differential diagnosis in magnetic resonance mammography (MRM). However, no consensus exists about the best measurement method to assess contrast enhancement kinetics. This systematic investigation was performed to compare visual estimation with manual region of interest (ROI) and computer-aided diagnosis (CAD) analysis for time curve measurements in MRM. A total of 329 patients undergoing surgery after MRM (1.5 T) were analyzed prospectively. Dynamic data were measured using visual estimation, including ROI as well as CAD methods, and classified depending on initial signal increase and delayed enhancement. Pathology revealed 469 lesions (279 malignant, 190 benign). Kappa agreement between the methods ranged from 0.78 to 0.81. Diagnostic accuracies of 74.4% (visual), 75.7% (ROI), and 76.6% (CAD) were found without statistical significant differences. According to our results, curve type measurements are useful as a diagnostic criterion in breast lesions irrespective of the method used.

Findings from the 2012 West Virginia Online Writing Scoring Comparability Study

ERIC Educational Resources Information Center

Hixson, Nate; Rhudy, Vaughn

2013-01-01

Student responses to the West Virginia Educational Standards Test (WESTEST) 2 Online Writing Assessment are scored by a computer-scoring engine. The scoring method is not widely understood among educators, and there exists a misperception that it is not comparable to hand scoring. To address these issues, the West Virginia Department of Education…

Teaching Evolution through the Hardy-Weinberg Principle: A Real-Time, Active-Learning Exercise Using Classroom Response Devices

ERIC Educational Resources Information Center

Brewer, Michael S.; Gardner, Grant E.

2013-01-01

Teaching population genetics provides a bridge between genetics and evolution by using examples of the mechanisms that underlie changes in allele frequencies over time. Existing methods of teaching these concepts often rely on computer simulations or hand calculations, which distract students from the material and are problematic for those with…

Developing a Diagnosis System of Work-Related Capabilities for Students: A Computer-Assisted Assessment

ERIC Educational Resources Information Center

Liao, C. H.; Yang, M. H.; Yang, B. C.

2013-01-01

A gap exists between students' employment needs and higher education offerings. Thus, developing the capability to meet the learning needs of students in supporting their future aspirations should be facilitated. To bridge this gap in practice, this study uses multiple methods (i.e., nominal group technique and instructional systems development)…

Fabrication techniques for superconducting readout loops

NASA Technical Reports Server (NTRS)

Payne, J. E.

1982-01-01

Procedures for the fabrication of superconducting readout loops out of niobium on glass substrates were developed. A computer program for an existing fabrication system was developed. Both positive and negative resist procedures for the production of the readout loops were investigated. Methods used to produce satisfactory loops are described and the various parameters affecting the performance of the loops are analyzed.

Probabilistic finite elements for fatigue and fracture analysis

NASA Astrophysics Data System (ADS)

Belytschko, Ted; Liu, Wing Kam

Attenuation is focused on the development of Probabilistic Finite Element Method (PFEM), which combines the finite element method with statistics and reliability methods, and its application to linear, nonlinear structural mechanics problems and fracture mechanics problems. The computational tool based on the Stochastic Boundary Element Method is also given for the reliability analysis of a curvilinear fatigue crack growth. The existing PFEM's have been applied to solve for two types of problems: (1) determination of the response uncertainty in terms of the means, variance and correlation coefficients; and (2) determination the probability of failure associated with prescribed limit states.

Probabilistic finite elements for fatigue and fracture analysis

NASA Technical Reports Server (NTRS)

Belytschko, Ted; Liu, Wing Kam

1992-01-01

Attenuation is focused on the development of Probabilistic Finite Element Method (PFEM), which combines the finite element method with statistics and reliability methods, and its application to linear, nonlinear structural mechanics problems and fracture mechanics problems. The computational tool based on the Stochastic Boundary Element Method is also given for the reliability analysis of a curvilinear fatigue crack growth. The existing PFEM's have been applied to solve for two types of problems: (1) determination of the response uncertainty in terms of the means, variance and correlation coefficients; and (2) determination the probability of failure associated with prescribed limit states.

Stabilization of computational procedures for constrained dynamical systems

NASA Technical Reports Server (NTRS)

Park, K. C.; Chiou, J. C.

1988-01-01

A new stabilization method of treating constraints in multibody dynamical systems is presented. By tailoring a penalty form of the constraint equations, the method achieves stabilization without artificial damping and yields a companion matrix differential equation for the constraint forces; hence, the constraint forces are obtained by integrating the companion differential equation for the constraint forces in time. A principal feature of the method is that the errors committed in each constraint condition decay with its corresponding characteristic time scale associated with its constraint force. Numerical experiments indicate that the method yields a marked improvement over existing techniques.

Parallel mutual information estimation for inferring gene regulatory networks on GPUs

PubMed Central

2011-01-01

Background Mutual information is a measure of similarity between two variables. It has been widely used in various application domains including computational biology, machine learning, statistics, image processing, and financial computing. Previously used simple histogram based mutual information estimators lack the precision in quality compared to kernel based methods. The recently introduced B-spline function based mutual information estimation method is competitive to the kernel based methods in terms of quality but at a lower computational complexity. Results We present a new approach to accelerate the B-spline function based mutual information estimation algorithm with commodity graphics hardware. To derive an efficient mapping onto this type of architecture, we have used the Compute Unified Device Architecture (CUDA) programming model to design and implement a new parallel algorithm. Our implementation, called CUDA-MI, can achieve speedups of up to 82 using double precision on a single GPU compared to a multi-threaded implementation on a quad-core CPU for large microarray datasets. We have used the results obtained by CUDA-MI to infer gene regulatory networks (GRNs) from microarray data. The comparisons to existing methods including ARACNE and TINGe show that CUDA-MI produces GRNs of higher quality in less time. Conclusions CUDA-MI is publicly available open-source software, written in CUDA and C++ programming languages. It obtains significant speedup over sequential multi-threaded implementation by fully exploiting the compute capability of commonly used CUDA-enabled low-cost GPUs. PMID:21672264

Slicing Method for curved façade and window extraction from point clouds

NASA Astrophysics Data System (ADS)

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

2016-09-01

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

A new approach to estimate time-to-cure from cancer registries data.

PubMed

Boussari, Olayidé; Romain, Gaëlle; Remontet, Laurent; Bossard, Nadine; Mounier, Morgane; Bouvier, Anne-Marie; Binquet, Christine; Colonna, Marc; Jooste, Valérie

2018-04-01

Cure models have been adapted to net survival context to provide important indicators from population-based cancer data, such as the cure fraction and the time-to-cure. However existing methods for computing time-to-cure suffer from some limitations. Cure models in net survival framework were briefly overviewed and a new definition of time-to-cure was introduced as the time TTC at which P(t), the estimated covariate-specific probability of being cured at a given time t after diagnosis, reaches 0.95. We applied flexible parametric cure models to data of four cancer sites provided by the French network of cancer registries (FRANCIM). Then estimates of the time-to-cure by TTC and by two existing methods were derived and compared. Cure fractions and probabilities P(t) were also computed. Depending on the age group, TTC ranged from to 8 to 10 years for colorectal and pancreatic cancer and was nearly 12 years for breast cancer. In thyroid cancer patients under 55 years at diagnosis, TTC was strikingly 0: the probability of being cured was >0.95 just after diagnosis. This is an interesting result regarding the health insurance premiums of these patients. The estimated values of time-to-cure from the three approaches were close for colorectal cancer only. We propose a new approach, based on estimated covariate-specific probability of being cured, to estimate time-to-cure. Compared to two existing methods, the new approach seems to be more intuitive and natural and less sensitive to the survival time distribution. Copyright © 2018 Elsevier Ltd. All rights reserved.

Configuration of automatic exposure control on mammography units for computed radiography to match patient dose of screen film systems

NASA Astrophysics Data System (ADS)

Yang, Chang-Ying Joseph; Huang, Weidong

2009-02-01

Computed radiography (CR) is considered a drop-in addition or replacement for traditional screen-film (SF) systems in digital mammography. Unlike other technologies, CR has the advantage of being compatible with existing mammography units. One of the challenges, however, is to properly configure the automatic exposure control (AEC) on existing mammography units for CR use. Unlike analogue systems, the capture and display of digital CR images is decoupled. The function of AEC is changed from ensuring proper and consistent optical density of the captured image on film to balancing image quality with patient dose needed for CR. One of the preferences when acquiring CR images under AEC is to use the same patient dose as SF systems. The challenge is whether the existing AEC design and calibration process-most of them proprietary from the X-ray systems manufacturers and tailored specifically for SF response properties-can be adapted for CR cassettes, in order to compensate for their response and attenuation differences. This paper describes the methods for configuring the AEC of three different mammography units models to match the patient dose used for CR with those that are used for a KODAK MIN-R 2000 SF System. Based on phantom test results, these methods provide the dose level under AEC for the CR systems to match with the dose of SF systems. These methods can be used in clinical environments that require the acquisition of CR images under AEC at the same dose levels as those used for SF systems.

Comparison of Coupled Radiative Flow Solutions with Project Fire 2 Flight Data

NASA Technical Reports Server (NTRS)

Olynick, David R.; Henline, W. D.; Chambers, Lin Hartung; Candler, G. V.

1995-01-01

A nonequilibrium, axisymmetric, Navier-Stokes flow solver with coupled radiation has been developed for use in the design or thermal protection systems for vehicles where radiation effects are important. The present method has been compared with an existing now and radiation solver and with the Project Fire 2 experimental data. Good agreement has been obtained over the entire Fire 2 trajectory with the experimentally determined values of the stagnation radiation intensity in the 0.2-6.2 eV range and with the total stagnation heating. The effects of a number of flow models are examined to determine which combination of physical models produces the best agreement with the experimental data. These models include radiation coupling, multitemperature thermal models, and finite rate chemistry. Finally, the computational efficiency of the present model is evaluated. The radiation properties model developed for this study is shown to offer significant computational savings compared to existing codes.

On the validity of the use of a localized approximation for helical beams. I. Formal aspects

NASA Astrophysics Data System (ADS)

Gouesbet, Gérard; André Ambrosio, Leonardo

2018-03-01

The description of an electromagnetic beam for use in light scattering theories may be carried out by using an expansion over vector spherical wave functions with expansion coefficients expressed in terms of Beam Shape Coefficients (BSCs). A celebrated method to evaluate these BSCs has been the use of localized approximations (with several existing variants). We recently established that the use of any existing localized approximation is of limited validity in the case of Bessel and Mathieu beams. In the present paper, we address a warning against the use of any existing localized approximation in the case of helical beams. More specifically, we demonstrate that a procedure used to validate any existing localized approximation fails in the case of helical beams. Numerical computations in a companion paper will confirm that existing localized approximations are of limited validity in the case of helical beams.

Evaluation of direct and indirect additive manufacture of maxillofacial prostheses.

PubMed

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

2012-09-01

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

Efficient computation of the joint sample frequency spectra for multiple populations.

PubMed

Kamm, John A; Terhorst, Jonathan; Song, Yun S

2017-01-01

A wide range of studies in population genetics have employed the sample frequency spectrum (SFS), a summary statistic which describes the distribution of mutant alleles at a polymorphic site in a sample of DNA sequences and provides a highly efficient dimensional reduction of large-scale population genomic variation data. Recently, there has been much interest in analyzing the joint SFS data from multiple populations to infer parameters of complex demographic histories, including variable population sizes, population split times, migration rates, admixture proportions, and so on. SFS-based inference methods require accurate computation of the expected SFS under a given demographic model. Although much methodological progress has been made, existing methods suffer from numerical instability and high computational complexity when multiple populations are involved and the sample size is large. In this paper, we present new analytic formulas and algorithms that enable accurate, efficient computation of the expected joint SFS for thousands of individuals sampled from hundreds of populations related by a complex demographic model with arbitrary population size histories (including piecewise-exponential growth). Our results are implemented in a new software package called momi (MOran Models for Inference). Through an empirical study we demonstrate our improvements to numerical stability and computational complexity.

Efficient computation of the joint sample frequency spectra for multiple populations

PubMed Central

Kamm, John A.; Terhorst, Jonathan; Song, Yun S.

2016-01-01

A wide range of studies in population genetics have employed the sample frequency spectrum (SFS), a summary statistic which describes the distribution of mutant alleles at a polymorphic site in a sample of DNA sequences and provides a highly efficient dimensional reduction of large-scale population genomic variation data. Recently, there has been much interest in analyzing the joint SFS data from multiple populations to infer parameters of complex demographic histories, including variable population sizes, population split times, migration rates, admixture proportions, and so on. SFS-based inference methods require accurate computation of the expected SFS under a given demographic model. Although much methodological progress has been made, existing methods suffer from numerical instability and high computational complexity when multiple populations are involved and the sample size is large. In this paper, we present new analytic formulas and algorithms that enable accurate, efficient computation of the expected joint SFS for thousands of individuals sampled from hundreds of populations related by a complex demographic model with arbitrary population size histories (including piecewise-exponential growth). Our results are implemented in a new software package called momi (MOran Models for Inference). Through an empirical study we demonstrate our improvements to numerical stability and computational complexity. PMID:28239248

OMPC: an Open-Source MATLAB-to-Python Compiler.

PubMed

Jurica, Peter; van Leeuwen, Cees

2009-01-01

Free access to scientific information facilitates scientific progress. Open-access scientific journals are a first step in this direction; a further step is to make auxiliary and supplementary materials that accompany scientific publications, such as methodological procedures and data-analysis tools, open and accessible to the scientific community. To this purpose it is instrumental to establish a software base, which will grow toward a comprehensive free and open-source language of technical and scientific computing. Endeavors in this direction are met with an important obstacle. MATLAB((R)), the predominant computation tool in many fields of research, is a closed-source commercial product. To facilitate the transition to an open computation platform, we propose Open-source MATLAB((R))-to-Python Compiler (OMPC), a platform that uses syntax adaptation and emulation to allow transparent import of existing MATLAB((R)) functions into Python programs. The imported MATLAB((R)) modules will run independently of MATLAB((R)), relying on Python's numerical and scientific libraries. Python offers a stable and mature open source platform that, in many respects, surpasses commonly used, expensive commercial closed source packages. The proposed software will therefore facilitate the transparent transition towards a free and general open-source lingua franca for scientific computation, while enabling access to the existing methods and algorithms of technical computing already available in MATLAB((R)). OMPC is available at http://ompc.juricap.com.

A personal computer-based nuclear magnetic resonance spectrometer

NASA Astrophysics Data System (ADS)

Job, Constantin; Pearson, Robert M.; Brown, Michael F.

1994-11-01

Nuclear magnetic resonance (NMR) spectroscopy using personal computer-based hardware has the potential of enabling the application of NMR methods to fields where conventional state of the art equipment is either impractical or too costly. With such a strategy for data acquisition and processing, disciplines including civil engineering, agriculture, geology, archaeology, and others have the possibility of utilizing magnetic resonance techniques within the laboratory or conducting applications directly in the field. Another aspect is the possibility of utilizing existing NMR magnets which may be in good condition but unused because of outdated or nonrepairable electronics. Moreover, NMR applications based on personal computer technology may open up teaching possibilities at the college or even secondary school level. The goal of developing such a personal computer (PC)-based NMR standard is facilitated by existing technologies including logic cell arrays, direct digital frequency synthesis, use of PC-based electrical engineering software tools to fabricate electronic circuits, and the use of permanent magnets based on neodymium-iron-boron alloy. Utilizing such an approach, we have been able to place essentially an entire NMR spectrometer console on two printed circuit boards, with the exception of the receiver and radio frequency power amplifier. Future upgrades to include the deuterium lock and the decoupler unit are readily envisioned. The continued development of such PC-based NMR spectrometers is expected to benefit from the fast growing, practical, and low cost personal computer market.

Computer-Aided Drug Design Methods.

PubMed

Yu, Wenbo; MacKerell, Alexander D

2017-01-01

Computational approaches are useful tools to interpret and guide experiments to expedite the antibiotic drug design process. Structure-based drug design (SBDD) and ligand-based drug design (LBDD) are the two general types of computer-aided drug design (CADD) approaches in existence. SBDD methods analyze macromolecular target 3-dimensional structural information, typically of proteins or RNA, to identify key sites and interactions that are important for their respective biological functions. Such information can then be utilized to design antibiotic drugs that can compete with essential interactions involving the target and thus interrupt the biological pathways essential for survival of the microorganism(s). LBDD methods focus on known antibiotic ligands for a target to establish a relationship between their physiochemical properties and antibiotic activities, referred to as a structure-activity relationship (SAR), information that can be used for optimization of known drugs or guide the design of new drugs with improved activity. In this chapter, standard CADD protocols for both SBDD and LBDD will be presented with a special focus on methodologies and targets routinely studied in our laboratory for antibiotic drug discoveries.

3D object retrieval using salient views

PubMed Central

Shapiro, Linda G.

2013-01-01

This paper presents a method for selecting salient 2D views to describe 3D objects for the purpose of retrieval. The views are obtained by first identifying salient points via a learning approach that uses shape characteristics of the 3D points (Atmosukarto and Shapiro in International workshop on structural, syntactic, and statistical pattern recognition, 2008; Atmosukarto and Shapiro in ACM multimedia information retrieval, 2008). The salient views are selected by choosing views with multiple salient points on the silhouette of the object. Silhouette-based similarity measures from Chen et al. (Comput Graph Forum 22(3):223–232, 2003) are then used to calculate the similarity between two 3D objects. Retrieval experiments were performed on three datasets: the Heads dataset, the SHREC2008 dataset, and the Princeton dataset. Experimental results show that the retrieval results using the salient views are comparable to the existing light field descriptor method (Chen et al. in Comput Graph Forum 22(3):223–232, 2003), and our method achieves a 15-fold speedup in the feature extraction computation time. PMID:23833704

Fast and accurate genotype imputation in genome-wide association studies through pre-phasing

PubMed Central

Howie, Bryan; Fuchsberger, Christian; Stephens, Matthew; Marchini, Jonathan; Abecasis, Gonçalo R.

2013-01-01

Sequencing efforts, including the 1000 Genomes Project and disease-specific efforts, are producing large collections of haplotypes that can be used for genotype imputation in genome-wide association studies (GWAS). Imputing from these reference panels can help identify new risk alleles, but the use of large panels with existing methods imposes a high computational burden. To keep imputation broadly accessible, we introduce a strategy called “pre-phasing” that maintains the accuracy of leading methods while cutting computational costs by orders of magnitude. In brief, we first statistically estimate the haplotypes for each GWAS individual (“pre-phasing”) and then impute missing genotypes into these estimated haplotypes. This reduces the computational cost because: (i) the GWAS samples must be phased only once, whereas standard methods would implicitly re-phase with each reference panel update; (ii) it is much faster to match a phased GWAS haplotype to one reference haplotype than to match unphased GWAS genotypes to a pair of reference haplotypes. This strategy will be particularly valuable for repeated imputation as reference panels evolve. PMID:22820512

An optimization approach for fitting canonical tensor decompositions.

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

Dunlavy, Daniel M.; Acar, Evrim; Kolda, Tamara Gibson

Tensor decompositions are higher-order analogues of matrix decompositions and have proven to be powerful tools for data analysis. In particular, we are interested in the canonical tensor decomposition, otherwise known as the CANDECOMP/PARAFAC decomposition (CPD), which expresses a tensor as the sum of component rank-one tensors and is used in a multitude of applications such as chemometrics, signal processing, neuroscience, and web analysis. The task of computing the CPD, however, can be difficult. The typical approach is based on alternating least squares (ALS) optimization, which can be remarkably fast but is not very accurate. Previously, nonlinear least squares (NLS) methodsmore » have also been recommended; existing NLS methods are accurate but slow. In this paper, we propose the use of gradient-based optimization methods. We discuss the mathematical calculation of the derivatives and further show that they can be computed efficiently, at the same cost as one iteration of ALS. Computational experiments demonstrate that the gradient-based optimization methods are much more accurate than ALS and orders of magnitude faster than NLS.« less

Using Business Simulations as Authentic Assessment Tools

ERIC Educational Resources Information Center

Neely, Pat; Tucker, Jan

2012-01-01

New modalities for assessing student learning exist as a result of advances in computer technology. Conventional measurement practices have been transformed into computer based testing. Although current testing replicates assessment processes used in college classrooms, a greater opportunity exists to use computer technology to create authentic…

Methodology and Estimates of Scour at Selected Bridge Sites in Alaska

USGS Publications Warehouse

Heinrichs, Thomas A.; Kennedy, Ben W.; Langley, Dustin E.; Burrows, Robert L.

2001-01-01

The U.S. Geological Survey estimated scour depths at 325 bridges in Alaska as part of a cooperative agreement with the Alaska Department of Transportation and Public Facilities. The department selected these sites from approximately 806 State-owned bridges as potentially susceptible to scour during extreme floods. Pier scour and contraction scour were computed for the selected bridges by using methods recommended by the Federal Highway Administration. The U.S. Geological Survey used a four-step procedure to estimate scour: (1) Compute magnitudes of the 100- and 500-year floods. (2) Determine cross-section geometry and hydraulic properties for each bridge site. (3) Compute the water-surface profile for the 100- and 500-year floods. (4) Compute contraction and pier scour. This procedure is unique because the cross sections were developed from existing data on file to make a quantitative estimate of scour. This screening method has the advantage of providing scour depths and bed elevations for comparison with bridge-foundation elevations without the time and expense of a field survey. Four examples of bridge-scour analyses are summarized in the appendix.

Computation of rare transitions in the barotropic quasi-geostrophic equations

NASA Astrophysics Data System (ADS)

Laurie, Jason; Bouchet, Freddy

2015-01-01

We investigate the theoretical and numerical computation of rare transitions in simple geophysical turbulent models. We consider the barotropic quasi-geostrophic and two-dimensional Navier-Stokes equations in regimes where bistability between two coexisting large-scale attractors exist. By means of large deviations and instanton theory with the use of an Onsager-Machlup path integral formalism for the transition probability, we show how one can directly compute the most probable transition path between two coexisting attractors analytically in an equilibrium (Langevin) framework and numerically otherwise. We adapt a class of numerical optimization algorithms known as minimum action methods to simple geophysical turbulent models. We show that by numerically minimizing an appropriate action functional in a large deviation limit, one can predict the most likely transition path for a rare transition between two states. By considering examples where theoretical predictions can be made, we show that the minimum action method successfully predicts the most likely transition path. Finally, we discuss the application and extension of such numerical optimization schemes to the computation of rare transitions observed in direct numerical simulations and experiments and to other, more complex, turbulent systems.

Rapid Calculation of Max-Min Fair Rates for Multi-Commodity Flows in Fat-Tree Networks

DOE PAGES

Mollah, Md Atiqul; Yuan, Xin; Pakin, Scott; ...

2017-08-29

Max-min fairness is often used in the performance modeling of interconnection networks. Existing methods to compute max-min fair rates for multi-commodity flows have high complexity and are computationally infeasible for large networks. In this paper, we show that by considering topological features, this problem can be solved efficiently for the fat-tree topology that is widely used in data centers and high performance compute clusters. Several efficient new algorithms are developed for this problem, including a parallel algorithm that can take advantage of multi-core and shared-memory architectures. Using these algorithms, we demonstrate that it is possible to find the max-min fairmore » rate allocation for multi-commodity flows in fat-tree networks that support tens of thousands of nodes. We evaluate the run-time performance of the proposed algorithms and show improvement in orders of magnitude over the previously best known method. Finally, we further demonstrate a new application of max-min fair rate allocation that is only computationally feasible using our new algorithms.« less

Rapid Calculation of Max-Min Fair Rates for Multi-Commodity Flows in Fat-Tree Networks

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

Mollah, Md Atiqul; Yuan, Xin; Pakin, Scott

Max-min fairness is often used in the performance modeling of interconnection networks. Existing methods to compute max-min fair rates for multi-commodity flows have high complexity and are computationally infeasible for large networks. In this paper, we show that by considering topological features, this problem can be solved efficiently for the fat-tree topology that is widely used in data centers and high performance compute clusters. Several efficient new algorithms are developed for this problem, including a parallel algorithm that can take advantage of multi-core and shared-memory architectures. Using these algorithms, we demonstrate that it is possible to find the max-min fairmore » rate allocation for multi-commodity flows in fat-tree networks that support tens of thousands of nodes. We evaluate the run-time performance of the proposed algorithms and show improvement in orders of magnitude over the previously best known method. Finally, we further demonstrate a new application of max-min fair rate allocation that is only computationally feasible using our new algorithms.« less

Uncertainty Aware Structural Topology Optimization Via a Stochastic Reduced Order Model Approach

NASA Technical Reports Server (NTRS)

Aguilo, Miguel A.; Warner, James E.

2017-01-01

This work presents a stochastic reduced order modeling strategy for the quantification and propagation of uncertainties in topology optimization. Uncertainty aware optimization problems can be computationally complex due to the substantial number of model evaluations that are necessary to accurately quantify and propagate uncertainties. This computational complexity is greatly magnified if a high-fidelity, physics-based numerical model is used for the topology optimization calculations. Stochastic reduced order model (SROM) methods are applied here to effectively 1) alleviate the prohibitive computational cost associated with an uncertainty aware topology optimization problem; and 2) quantify and propagate the inherent uncertainties due to design imperfections. A generic SROM framework that transforms the uncertainty aware, stochastic topology optimization problem into a deterministic optimization problem that relies only on independent calls to a deterministic numerical model is presented. This approach facilitates the use of existing optimization and modeling tools to accurately solve the uncertainty aware topology optimization problems in a fraction of the computational demand required by Monte Carlo methods. Finally, an example in structural topology optimization is presented to demonstrate the effectiveness of the proposed uncertainty aware structural topology optimization approach.

Computational Pollutant Environment Assessment from Propulsion-System Testing

NASA Technical Reports Server (NTRS)

Wang, Ten-See; McConnaughey, Paul; Chen, Yen-Sen; Warsi, Saif

1996-01-01

An asymptotic plume growth method based on a time-accurate three-dimensional computational fluid dynamics formulation has been developed to assess the exhaust-plume pollutant environment from a simulated RD-170 engine hot-fire test on the F1 Test Stand at Marshall Space Flight Center. Researchers have long known that rocket-engine hot firing has the potential for forming thermal nitric oxides, as well as producing carbon monoxide when hydrocarbon fuels are used. Because of the complex physics involved, most attempts to predict the pollutant emissions from ground-based engine testing have used simplified methods, which may grossly underpredict and/or overpredict the pollutant formations in a test environment. The objective of this work has been to develop a computational fluid dynamics-based methodology that replicates the underlying test-stand flow physics to accurately and efficiently assess pollutant emissions from ground-based rocket-engine testing. A nominal RD-170 engine hot-fire test was computed, and pertinent test-stand flow physics was captured. The predicted total emission rates compared reasonably well with those of the existing hydrocarbon engine hot-firing test data.

Detection and Evaluation of Spatio-Temporal Spike Patterns in Massively Parallel Spike Train Data with SPADE.

PubMed

Quaglio, Pietro; Yegenoglu, Alper; Torre, Emiliano; Endres, Dominik M; Grün, Sonja

2017-01-01

Repeated, precise sequences of spikes are largely considered a signature of activation of cell assemblies. These repeated sequences are commonly known under the name of spatio-temporal patterns (STPs). STPs are hypothesized to play a role in the communication of information in the computational process operated by the cerebral cortex. A variety of statistical methods for the detection of STPs have been developed and applied to electrophysiological recordings, but such methods scale poorly with the current size of available parallel spike train recordings (more than 100 neurons). In this work, we introduce a novel method capable of overcoming the computational and statistical limits of existing analysis techniques in detecting repeating STPs within massively parallel spike trains (MPST). We employ advanced data mining techniques to efficiently extract repeating sequences of spikes from the data. Then, we introduce and compare two alternative approaches to distinguish statistically significant patterns from chance sequences. The first approach uses a measure known as conceptual stability, of which we investigate a computationally cheap approximation for applications to such large data sets. The second approach is based on the evaluation of pattern statistical significance. In particular, we provide an extension to STPs of a method we recently introduced for the evaluation of statistical significance of synchronous spike patterns. The performance of the two approaches is evaluated in terms of computational load and statistical power on a variety of artificial data sets that replicate specific features of experimental data. Both methods provide an effective and robust procedure for detection of STPs in MPST data. The method based on significance evaluation shows the best overall performance, although at a higher computational cost. We name the novel procedure the spatio-temporal Spike PAttern Detection and Evaluation (SPADE) analysis.

Detection and Evaluation of Spatio-Temporal Spike Patterns in Massively Parallel Spike Train Data with SPADE

PubMed Central

Quaglio, Pietro; Yegenoglu, Alper; Torre, Emiliano; Endres, Dominik M.; Grün, Sonja

2017-01-01

Repeated, precise sequences of spikes are largely considered a signature of activation of cell assemblies. These repeated sequences are commonly known under the name of spatio-temporal patterns (STPs). STPs are hypothesized to play a role in the communication of information in the computational process operated by the cerebral cortex. A variety of statistical methods for the detection of STPs have been developed and applied to electrophysiological recordings, but such methods scale poorly with the current size of available parallel spike train recordings (more than 100 neurons). In this work, we introduce a novel method capable of overcoming the computational and statistical limits of existing analysis techniques in detecting repeating STPs within massively parallel spike trains (MPST). We employ advanced data mining techniques to efficiently extract repeating sequences of spikes from the data. Then, we introduce and compare two alternative approaches to distinguish statistically significant patterns from chance sequences. The first approach uses a measure known as conceptual stability, of which we investigate a computationally cheap approximation for applications to such large data sets. The second approach is based on the evaluation of pattern statistical significance. In particular, we provide an extension to STPs of a method we recently introduced for the evaluation of statistical significance of synchronous spike patterns. The performance of the two approaches is evaluated in terms of computational load and statistical power on a variety of artificial data sets that replicate specific features of experimental data. Both methods provide an effective and robust procedure for detection of STPs in MPST data. The method based on significance evaluation shows the best overall performance, although at a higher computational cost. We name the novel procedure the spatio-temporal Spike PAttern Detection and Evaluation (SPADE) analysis. PMID:28596729

Manifold learning of brain MRIs by deep learning.

PubMed

Brosch, Tom; Tam, Roger

2013-01-01

Manifold learning of medical images plays a potentially important role for modeling anatomical variability within a population with pplications that include segmentation, registration, and prediction of clinical parameters. This paper describes a novel method for learning the manifold of 3D brain images that, unlike most existing manifold learning methods, does not require the manifold space to be locally linear, and does not require a predefined similarity measure or a prebuilt proximity graph. Our manifold learning method is based on deep learning, a machine learning approach that uses layered networks (called deep belief networks, or DBNs) and has received much attention recently in the computer vision field due to their success in object recognition tasks. DBNs have traditionally been too computationally expensive for application to 3D images due to the large number of trainable parameters. Our primary contributions are (1) a much more computationally efficient training method for DBNs that makes training on 3D medical images with a resolution of up to 128 x 128 x 128 practical, and (2) the demonstration that DBNs can learn a low-dimensional manifold of brain volumes that detects modes of variations that correlate to demographic and disease parameters.

Computational domain discretization in numerical analysis of flow within granular materials

NASA Astrophysics Data System (ADS)

Sosnowski, Marcin

2018-06-01

The discretization of computational domain is a crucial step in Computational Fluid Dynamics (CFD) because it influences not only the numerical stability of the analysed model but also the agreement of obtained results and real data. Modelling flow in packed beds of granular materials is a very challenging task in terms of discretization due to the existence of narrow spaces between spherical granules contacting tangentially in a single point. Standard approach to this issue results in a low quality mesh and unreliable results in consequence. Therefore the common method is to reduce the diameter of the modelled granules in order to eliminate the single-point contact between the individual granules. The drawback of such method is the adulteration of flow and contact heat resistance among others. Therefore an innovative method is proposed in the paper: single-point contact is extended to a cylinder-shaped volume contact. Such approach eliminates the low quality mesh elements and simultaneously introduces only slight distortion to the flow as well as contact heat transfer. The performed analysis of numerous test cases prove the great potential of the proposed method of meshing the packed beds of granular materials.

Optimized distributed computing environment for mask data preparation

NASA Astrophysics Data System (ADS)

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

2005-11-01

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

Fast Multipole Methods for Three-Dimensional N-body Problems

NASA Technical Reports Server (NTRS)

Koumoutsakos, P.

1995-01-01

We are developing computational tools for the simulations of three-dimensional flows past bodies undergoing arbitrary motions. High resolution viscous vortex methods have been developed that allow for extended simulations of two-dimensional configurations such as vortex generators. Our objective is to extend this methodology to three dimensions and develop a robust computational scheme for the simulation of such flows. A fundamental issue in the use of vortex methods is the ability of employing efficiently large numbers of computational elements to resolve the large range of scales that exist in complex flows. The traditional cost of the method scales as Omicron (N(sup 2)) as the N computational elements/particles induce velocities at each other, making the method unacceptable for simulations involving more than a few tens of thousands of particles. In the last decade fast methods have been developed that have operation counts of Omicron (N log N) or Omicron (N) (referred to as BH and GR respectively) depending on the details of the algorithm. These methods are based on the observation that the effect of a cluster of particles at a certain distance may be approximated by a finite series expansion. In order to exploit this observation we need to decompose the element population spatially into clusters of particles and build a hierarchy of clusters (a tree data structure) - smaller neighboring clusters combine to form a cluster of the next size up in the hierarchy and so on. This hierarchy of clusters allows one to determine efficiently when the approximation is valid. This algorithm is an N-body solver that appears in many fields of engineering and science. Some examples of its diverse use are in astrophysics, molecular dynamics, micro-magnetics, boundary element simulations of electromagnetic problems, and computer animation. More recently these N-body solvers have been implemented and applied in simulations involving vortex methods. Koumoutsakos and Leonard (1995) implemented the GR scheme in two dimensions for vector computer architectures allowing for simulations of bluff body flows using millions of particles. Winckelmans presented three-dimensional, viscous simulations of interacting vortex rings, using vortons and an implementation of a BH scheme for parallel computer architectures. Bhatt presented a vortex filament method to perform inviscid vortex ring interactions, with an alternative implementation of a BH scheme for a Connection Machine parallel computer architecture.

Hole filling with oriented sticks in ultrasound volume reconstruction

PubMed Central

Vaughan, Thomas; Lasso, Andras; Ungi, Tamas; Fichtinger, Gabor

2015-01-01

Abstract. Volumes reconstructed from tracked planar ultrasound images often contain regions where no information was recorded. Existing interpolation methods introduce image artifacts and tend to be slow in filling large missing regions. Our goal was to develop a computationally efficient method that fills missing regions while adequately preserving image features. We use directional sticks to interpolate between pairs of known opposing voxels in nearby images. We tested our method on 30 volumetric ultrasound scans acquired from human subjects, and compared its performance to that of other published hole-filling methods. Reconstruction accuracy, fidelity, and time were improved compared with other methods. PMID:26839907

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

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

Lazic, Predrag; Stefancic, Hrvoje; Abraham, Hrvoje

2006-03-20

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

The Filament Sensor for Near Real-Time Detection of Cytoskeletal Fiber Structures

PubMed Central

Eltzner, Benjamin; Wollnik, Carina; Gottschlich, Carsten; Huckemann, Stephan; Rehfeldt, Florian

2015-01-01

A reliable extraction of filament data from microscopic images is of high interest in the analysis of acto-myosin structures as early morphological markers in mechanically guided differentiation of human mesenchymal stem cells and the understanding of the underlying fiber arrangement processes. In this paper, we propose the filament sensor (FS), a fast and robust processing sequence which detects and records location, orientation, length, and width for each single filament of an image, and thus allows for the above described analysis. The extraction of these features has previously not been possible with existing methods. We evaluate the performance of the proposed FS in terms of accuracy and speed in comparison to three existing methods with respect to their limited output. Further, we provide a benchmark dataset of real cell images along with filaments manually marked by a human expert as well as simulated benchmark images. The FS clearly outperforms existing methods in terms of computational runtime and filament extraction accuracy. The implementation of the FS and the benchmark database are available as open source. PMID:25996921

Thermodynamic heuristics with case-based reasoning: combined insights for RNA pseudoknot secondary structure.

PubMed

Al-Khatib, Ra'ed M; Rashid, Nur'Aini Abdul; Abdullah, Rosni

2011-08-01

The secondary structure of RNA pseudoknots has been extensively inferred and scrutinized by computational approaches. Experimental methods for determining RNA structure are time consuming and tedious; therefore, predictive computational approaches are required. Predicting the most accurate and energy-stable pseudoknot RNA secondary structure has been proven to be an NP-hard problem. In this paper, a new RNA folding approach, termed MSeeker, is presented; it includes KnotSeeker (a heuristic method) and Mfold (a thermodynamic algorithm). The global optimization of this thermodynamic heuristic approach was further enhanced by using a case-based reasoning technique as a local optimization method. MSeeker is a proposed algorithm for predicting RNA pseudoknot structure from individual sequences, especially long ones. This research demonstrates that MSeeker improves the sensitivity and specificity of existing RNA pseudoknot structure predictions. The performance and structural results from this proposed method were evaluated against seven other state-of-the-art pseudoknot prediction methods. The MSeeker method had better sensitivity than the DotKnot, FlexStem, HotKnots, pknotsRG, ILM, NUPACK and pknotsRE methods, with 79% of the predicted pseudoknot base-pairs being correct.

Monte-Carlo methods make Dempster-Shafer formalism feasible

NASA Technical Reports Server (NTRS)

Kreinovich, Vladik YA.; Bernat, Andrew; Borrett, Walter; Mariscal, Yvonne; Villa, Elsa

1991-01-01

One of the main obstacles to the applications of Dempster-Shafer formalism is its computational complexity. If we combine m different pieces of knowledge, then in general case we have to perform up to 2(sup m) computational steps, which for large m is infeasible. For several important cases algorithms with smaller running time were proposed. We prove, however, that if we want to compute the belief bel(Q) in any given query Q, then exponential time is inevitable. It is still inevitable, if we want to compute bel(Q) with given precision epsilon. This restriction corresponds to the natural idea that since initial masses are known only approximately, there is no sense in trying to compute bel(Q) precisely. A further idea is that there is always some doubt in the whole knowledge, so there is always a probability p(sub o) that the expert's knowledge is wrong. In view of that it is sufficient to have an algorithm that gives a correct answer a probability greater than 1-p(sub o). If we use the original Dempster's combination rule, this possibility diminishes the running time, but still leaves the problem infeasible in the general case. We show that for the alternative combination rules proposed by Smets and Yager feasible methods exist. We also show how these methods can be parallelized, and what parallelization model fits this problem best.

Birth/birth-death processes and their computable transition probabilities with biological applications.

PubMed

Ho, Lam Si Tung; Xu, Jason; Crawford, Forrest W; Minin, Vladimir N; Suchard, Marc A

2018-03-01

Birth-death processes track the size of a univariate population, but many biological systems involve interaction between populations, necessitating models for two or more populations simultaneously. A lack of efficient methods for evaluating finite-time transition probabilities of bivariate processes, however, has restricted statistical inference in these models. Researchers rely on computationally expensive methods such as matrix exponentiation or Monte Carlo approximation, restricting likelihood-based inference to small systems, or indirect methods such as approximate Bayesian computation. In this paper, we introduce the birth/birth-death process, a tractable bivariate extension of the birth-death process, where rates are allowed to be nonlinear. We develop an efficient algorithm to calculate its transition probabilities using a continued fraction representation of their Laplace transforms. Next, we identify several exemplary models arising in molecular epidemiology, macro-parasite evolution, and infectious disease modeling that fall within this class, and demonstrate advantages of our proposed method over existing approaches to inference in these models. Notably, the ubiquitous stochastic susceptible-infectious-removed (SIR) model falls within this class, and we emphasize that computable transition probabilities newly enable direct inference of parameters in the SIR model. We also propose a very fast method for approximating the transition probabilities under the SIR model via a novel branching process simplification, and compare it to the continued fraction representation method with application to the 17th century plague in Eyam. Although the two methods produce similar maximum a posteriori estimates, the branching process approximation fails to capture the correlation structure in the joint posterior distribution.

An efficient, large-scale, non-lattice-detection algorithm for exhaustive structural auditing of biomedical ontologies.

PubMed

Zhang, Guo-Qiang; Xing, Guangming; Cui, Licong

2018-04-01

One of the basic challenges in developing structural methods for systematic audition on the quality of biomedical ontologies is the computational cost usually involved in exhaustive sub-graph analysis. We introduce ANT-LCA, a new algorithm for computing all non-trivial lowest common ancestors (LCA) of each pair of concepts in the hierarchical order induced by an ontology. The computation of LCA is a fundamental step for non-lattice approach for ontology quality assurance. Distinct from existing approaches, ANT-LCA only computes LCAs for non-trivial pairs, those having at least one common ancestor. To skip all trivial pairs that may be of no practical interest, ANT-LCA employs a simple but innovative algorithmic strategy combining topological order and dynamic programming to keep track of non-trivial pairs. We provide correctness proofs and demonstrate a substantial reduction in computational time for two largest biomedical ontologies: SNOMED CT and Gene Ontology (GO). ANT-LCA achieved an average computation time of 30 and 3 sec per version for SNOMED CT and GO, respectively, about 2 orders of magnitude faster than the best known approaches. Our algorithm overcomes a fundamental computational barrier in sub-graph based structural analysis of large ontological systems. It enables the implementation of a new breed of structural auditing methods that not only identifies potential problematic areas, but also automatically suggests changes to fix the issues. Such structural auditing methods can lead to more effective tools supporting ontology quality assurance work. Copyright © 2018 Elsevier Inc. All rights reserved.