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

PubMed Central

Patwary, Nurmohammed; Preza, Chrysanthe

2015-01-01

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

A fast identification algorithm for Box-Cox transformation based radial basis function neural network.

PubMed

Hong, Xia

2006-07-01

In this letter, a Box-Cox transformation-based radial basis function (RBF) neural network is introduced using the RBF neural network to represent the transformed system output. Initially a fixed and moderate sized RBF model base is derived based on a rank revealing orthogonal matrix triangularization (QR decomposition). Then a new fast identification algorithm is introduced using Gauss-Newton algorithm to derive the required Box-Cox transformation, based on a maximum likelihood estimator. The main contribution of this letter is to explore the special structure of the proposed RBF neural network for computational efficiency by utilizing the inverse of matrix block decomposition lemma. Finally, the Box-Cox transformation-based RBF neural network, with good generalization and sparsity, is identified based on the derived optimal Box-Cox transformation and a D-optimality-based orthogonal forward regression algorithm. The proposed algorithm and its efficacy are demonstrated with an illustrative example in comparison with support vector machine regression.

Direct recovery of regional tracer kinetics from temporally inconsistent dynamic ECT projections using dimension-reduced time-activity basis

NASA Astrophysics Data System (ADS)

Maltz, Jonathan S.

2000-11-01

We present an algorithm of reduced computational cost which is able to estimate kinetic model parameters directly from dynamic ECT sinograms made up of temporally inconsistent projections. The algorithm exploits the extreme degree of parameter redundancy inherent in linear combinations of the exponential functions which represent the modes of first-order compartmental systems. The singular value decomposition is employed to find a small set of orthogonal functions, the linear combinations of which are able to accurately represent all modes within the physiologically anticipated range in a given study. The reduced-dimension basis is formed as the convolution of this orthogonal set with a measured input function. The Moore-Penrose pseudoinverse is used to find coefficients of this basis. Algorithm performance is evaluated at realistic count rates using MCAT phantom and clinical 99mTc-teboroxime myocardial study data. Phantom data are modelled as originating from a Poisson process. For estimates recovered from a single slice projection set containing 2.5×105 total counts, recovered tissue responses compare favourably with those obtained using more computationally intensive methods. The corresponding kinetic parameter estimates (coefficients of the new basis) exhibit negligible bias, while parameter variances are low, falling within 30% of the Cramér-Rao lower bound.

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

McKemmish, Laura K., E-mail: laura.mckemmish@gmail.com; Research School of Chemistry, Australian National University, Canberra

Algorithms for the efficient calculation of two-electron integrals in the newly developed mixed ramp-Gaussian basis sets are presented, alongside a Fortran90 implementation of these algorithms, RAMPITUP. These new basis sets have significant potential to (1) give some speed-up (estimated at up to 20% for large molecules in fully optimised code) to general-purpose Hartree-Fock (HF) and density functional theory quantum chemistry calculations, replacing all-Gaussian basis sets, and (2) give very large speed-ups for calculations of core-dependent properties, such as electron density at the nucleus, NMR parameters, relativistic corrections, and total energies, replacing the current use of Slater basis functions or verymore » large specialised all-Gaussian basis sets for these purposes. This initial implementation already demonstrates roughly 10% speed-ups in HF/R-31G calculations compared to HF/6-31G calculations for large linear molecules, demonstrating the promise of this methodology, particularly for the second application. As well as the reduction in the total primitive number in R-31G compared to 6-31G, this timing advantage can be attributed to the significant reduction in the number of mathematically complex intermediate integrals after modelling each ramp-Gaussian basis-function-pair as a sum of ramps on a single atomic centre.« less

Computation of indirect nuclear spin-spin couplings with reduced complexity in pure and hybrid density functional approximations.

PubMed

Luenser, Arne; Kussmann, Jörg; Ochsenfeld, Christian

2016-09-28

We present a (sub)linear-scaling algorithm to determine indirect nuclear spin-spin coupling constants at the Hartree-Fock and Kohn-Sham density functional levels of theory. Employing efficient integral algorithms and sparse algebra routines, an overall (sub)linear scaling behavior can be obtained for systems with a non-vanishing HOMO-LUMO gap. Calculations on systems with over 1000 atoms and 20 000 basis functions illustrate the performance and accuracy of our reference implementation. Specifically, we demonstrate that linear algebra dominates the runtime of conventional algorithms for 10 000 basis functions and above. Attainable speedups of our method exceed 6 × in total runtime and 10 × in the linear algebra steps for the tested systems. Furthermore, a convergence study of spin-spin couplings of an aminopyrazole peptide upon inclusion of the water environment is presented: using the new method it is shown that large solvent spheres are necessary to converge spin-spin coupling values.

An algorithm to identify functional groups in organic molecules.

PubMed

Ertl, Peter

2017-06-07

The concept of functional groups forms a basis of organic chemistry, medicinal chemistry, toxicity assessment, spectroscopy and also chemical nomenclature. All current software systems to identify functional groups are based on a predefined list of substructures. We are not aware of any program that can identify all functional groups in a molecule automatically. The algorithm presented in this article is an attempt to solve this scientific challenge. An algorithm to identify functional groups in a molecule based on iterative marching through its atoms is described. The procedure is illustrated by extracting functional groups from the bioactive portion of the ChEMBL database, resulting in identification of 3080 unique functional groups. A new algorithm to identify all functional groups in organic molecules is presented. The algorithm is relatively simple and full details with examples are provided, therefore implementation in any cheminformatics toolkit should be relatively easy. The new method allows the analysis of functional groups in large chemical databases in a way that was not possible using previous approaches. Graphical abstract .

An analysis of value function learning with piecewise linear control

NASA Astrophysics Data System (ADS)

Tutsoy, Onder; Brown, Martin

2016-05-01

Reinforcement learning (RL) algorithms attempt to learn optimal control actions by iteratively estimating a long-term measure of system performance, the so-called value function. For example, RL algorithms have been applied to walking robots to examine the connection between robot motion and the brain, which is known as embodied cognition. In this paper, RL algorithms are analysed using an exemplar test problem. A closed form solution for the value function is calculated and this is represented in terms of a set of basis functions and parameters, which is used to investigate parameter convergence. The value function expression is shown to have a polynomial form where the polynomial terms depend on the plant's parameters and the value function's discount factor. It is shown that the temporal difference error introduces a null space for the differenced higher order basis associated with the effects of controller switching (saturated to linear control or terminating an experiment) apart from the time of the switch. This leads to slow convergence in the relevant subspace. It is also shown that badly conditioned learning problems can occur, and this is a function of the value function discount factor and the controller switching points. Finally, a comparison is performed between the residual gradient and TD(0) learning algorithms, and it is shown that the former has a faster rate of convergence for this test problem.

A Sparsity-Promoted Method Based on Majorization-Minimization for Weak Fault Feature Enhancement

PubMed Central

Hao, Yansong; Song, Liuyang; Tang, Gang; Yuan, Hongfang

2018-01-01

Fault transient impulses induced by faulty components in rotating machinery usually contain substantial interference. Fault features are comparatively weak in the initial fault stage, which renders fault diagnosis more difficult. In this case, a sparse representation method based on the Majorzation-Minimization (MM) algorithm is proposed to enhance weak fault features and extract the features from strong background noise. However, the traditional MM algorithm suffers from two issues, which are the choice of sparse basis and complicated calculations. To address these challenges, a modified MM algorithm is proposed in which a sparse optimization objective function is designed firstly. Inspired by the Basis Pursuit (BP) model, the optimization function integrates an impulsive feature-preserving factor and a penalty function factor. Second, a modified Majorization iterative method is applied to address the convex optimization problem of the designed function. A series of sparse coefficients can be achieved through iterating, which only contain transient components. It is noteworthy that there is no need to select the sparse basis in the proposed iterative method because it is fixed as a unit matrix. Then the reconstruction step is omitted, which can significantly increase detection efficiency. Eventually, envelope analysis of the sparse coefficients is performed to extract weak fault features. Simulated and experimental signals including bearings and gearboxes are employed to validate the effectiveness of the proposed method. In addition, comparisons are made to prove that the proposed method outperforms the traditional MM algorithm in terms of detection results and efficiency. PMID:29597280

A Sparsity-Promoted Method Based on Majorization-Minimization for Weak Fault Feature Enhancement.

PubMed

Ren, Bangyue; Hao, Yansong; Wang, Huaqing; Song, Liuyang; Tang, Gang; Yuan, Hongfang

2018-03-28

Fault transient impulses induced by faulty components in rotating machinery usually contain substantial interference. Fault features are comparatively weak in the initial fault stage, which renders fault diagnosis more difficult. In this case, a sparse representation method based on the Majorzation-Minimization (MM) algorithm is proposed to enhance weak fault features and extract the features from strong background noise. However, the traditional MM algorithm suffers from two issues, which are the choice of sparse basis and complicated calculations. To address these challenges, a modified MM algorithm is proposed in which a sparse optimization objective function is designed firstly. Inspired by the Basis Pursuit (BP) model, the optimization function integrates an impulsive feature-preserving factor and a penalty function factor. Second, a modified Majorization iterative method is applied to address the convex optimization problem of the designed function. A series of sparse coefficients can be achieved through iterating, which only contain transient components. It is noteworthy that there is no need to select the sparse basis in the proposed iterative method because it is fixed as a unit matrix. Then the reconstruction step is omitted, which can significantly increase detection efficiency. Eventually, envelope analysis of the sparse coefficients is performed to extract weak fault features. Simulated and experimental signals including bearings and gearboxes are employed to validate the effectiveness of the proposed method. In addition, comparisons are made to prove that the proposed method outperforms the traditional MM algorithm in terms of detection results and efficiency.

Image processing via VLSI: A concept paper

NASA Technical Reports Server (NTRS)

Nathan, R.

1982-01-01

Implementing specific image processing algorithms via very large scale integrated systems offers a potent solution to the problem of handling high data rates. Two algorithms stand out as being particularly critical -- geometric map transformation and filtering or correlation. These two functions form the basis for data calibration, registration and mosaicking. VLSI presents itself as an inexpensive ancillary function to be added to almost any general purpose computer and if the geometry and filter algorithms are implemented in VLSI, the processing rate bottleneck would be significantly relieved. A set of image processing functions that limit present systems to deal with future throughput needs, translates these functions to algorithms, implements via VLSI technology and interfaces the hardware to a general purpose digital computer is developed.

Phase retrieval algorithm for JWST Flight and Testbed Telescope

NASA Astrophysics Data System (ADS)

Dean, Bruce H.; Aronstein, David L.; Smith, J. Scott; Shiri, Ron; Acton, D. Scott

2006-06-01

An image-based wavefront sensing and control algorithm for the James Webb Space Telescope (JWST) is presented. The algorithm heritage is discussed in addition to implications for algorithm performance dictated by NASA's Technology Readiness Level (TRL) 6. The algorithm uses feedback through an adaptive diversity function to avoid the need for phase-unwrapping post-processing steps. Algorithm results are demonstrated using JWST Testbed Telescope (TBT) commissioning data and the accuracy is assessed by comparison with interferometer results on a multi-wave phase aberration. Strategies for minimizing aliasing artifacts in the recovered phase are presented and orthogonal basis functions are implemented for representing wavefronts in irregular hexagonal apertures. Algorithm implementation on a parallel cluster of high-speed digital signal processors (DSPs) is also discussed.

Ab initio molecular simulations with numeric atom-centered orbitals

NASA Astrophysics Data System (ADS)

Blum, Volker; Gehrke, Ralf; Hanke, Felix; Havu, Paula; Havu, Ville; Ren, Xinguo; Reuter, Karsten; Scheffler, Matthias

2009-11-01

We describe a complete set of algorithms for ab initio molecular simulations based on numerically tabulated atom-centered orbitals (NAOs) to capture a wide range of molecular and materials properties from quantum-mechanical first principles. The full algorithmic framework described here is embodied in the Fritz Haber Institute "ab initio molecular simulations" (FHI-aims) computer program package. Its comprehensive description should be relevant to any other first-principles implementation based on NAOs. The focus here is on density-functional theory (DFT) in the local and semilocal (generalized gradient) approximations, but an extension to hybrid functionals, Hartree-Fock theory, and MP2/GW electron self-energies for total energies and excited states is possible within the same underlying algorithms. An all-electron/full-potential treatment that is both computationally efficient and accurate is achieved for periodic and cluster geometries on equal footing, including relaxation and ab initio molecular dynamics. We demonstrate the construction of transferable, hierarchical basis sets, allowing the calculation to range from qualitative tight-binding like accuracy to meV-level total energy convergence with the basis set. Since all basis functions are strictly localized, the otherwise computationally dominant grid-based operations scale as O(N) with system size N. Together with a scalar-relativistic treatment, the basis sets provide access to all elements from light to heavy. Both low-communication parallelization of all real-space grid based algorithms and a ScaLapack-based, customized handling of the linear algebra for all matrix operations are possible, guaranteeing efficient scaling (CPU time and memory) up to massively parallel computer systems with thousands of CPUs.

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

Zhu, Xiaojun; Lei, Guangtsai; Pan, Guangwen

In this paper, the continuous operator is discretized into matrix forms by Galerkin`s procedure, using periodic Battle-Lemarie wavelets as basis/testing functions. The polynomial decomposition of wavelets is applied to the evaluation of matrix elements, which makes the computational effort of the matrix elements no more expensive than that of method of moments (MoM) with conventional piecewise basis/testing functions. A new algorithm is developed employing the fast wavelet transform (FWT). Owing to localization, cancellation, and orthogonal properties of wavelets, very sparse matrices have been obtained, which are then solved by the LSQR iterative method. This algorithm is also adaptive in thatmore » one can add at will finer wavelet bases in the regions where fields vary rapidly, without any damage to the system orthogonality of the wavelet basis functions. To demonstrate the effectiveness of the new algorithm, we applied it to the evaluation of frequency-dependent resistance and inductance matrices of multiple lossy transmission lines. Numerical results agree with previously published data and laboratory measurements. The valid frequency range of the boundary integral equation results has been extended two to three decades in comparison with the traditional MoM approach. The new algorithm has been integrated into the computer aided design tool, MagiCAD, which is used for the design and simulation of high-speed digital systems and multichip modules Pan et al. 29 refs., 7 figs., 6 tabs.« less

Functional Data Approximation on Bounded Domains using Polygonal Finite Elements.

PubMed

Cao, Juan; Xiao, Yanyang; Chen, Zhonggui; Wang, Wenping; Bajaj, Chandrajit

2018-07-01

We construct and analyze piecewise approximations of functional data on arbitrary 2D bounded domains using generalized barycentric finite elements, and particularly quadratic serendipity elements for planar polygons. We compare approximation qualities (precision/convergence) of these partition-of-unity finite elements through numerical experiments, using Wachspress coordinates, natural neighbor coordinates, Poisson coordinates, mean value coordinates, and quadratic serendipity bases over polygonal meshes on the domain. For a convex n -sided polygon, the quadratic serendipity elements have 2 n basis functions, associated in a Lagrange-like fashion to each vertex and each edge midpoint, rather than the usual n ( n + 1)/2 basis functions to achieve quadratic convergence. Two greedy algorithms are proposed to generate Voronoi meshes for adaptive functional/scattered data approximations. Experimental results show space/accuracy advantages for these quadratic serendipity finite elements on polygonal domains versus traditional finite elements over simplicial meshes. Polygonal meshes and parameter coefficients of the quadratic serendipity finite elements obtained by our greedy algorithms can be further refined using an L 2 -optimization to improve the piecewise functional approximation. We conduct several experiments to demonstrate the efficacy of our algorithm for modeling features/discontinuities in functional data/image approximation.

New algorithm for tensor contractions on multi-core CPUs, GPUs, and accelerators enables CCSD and EOM-CCSD calculations with over 1000 basis functions on a single compute node.

PubMed

Kaliman, Ilya A; Krylov, Anna I

2017-04-30

A new hardware-agnostic contraction algorithm for tensors of arbitrary symmetry and sparsity is presented. The algorithm is implemented as a stand-alone open-source code libxm. This code is also integrated with general tensor library libtensor and with the Q-Chem quantum-chemistry package. An overview of the algorithm, its implementation, and benchmarks are presented. Similarly to other tensor software, the algorithm exploits efficient matrix multiplication libraries and assumes that tensors are stored in a block-tensor form. The distinguishing features of the algorithm are: (i) efficient repackaging of the individual blocks into large matrices and back, which affords efficient graphics processing unit (GPU)-enabled calculations without modifications of higher-level codes; (ii) fully asynchronous data transfer between disk storage and fast memory. The algorithm enables canonical all-electron coupled-cluster and equation-of-motion coupled-cluster calculations with single and double substitutions (CCSD and EOM-CCSD) with over 1000 basis functions on a single quad-GPU machine. We show that the algorithm exhibits predicted theoretical scaling for canonical CCSD calculations, O(N 6 ), irrespective of the data size on disk. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

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

PubMed

Baker, Jon; Pulay, Peter

2002-09-01

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

Basis Expansion Approaches for Regularized Sequential Dictionary Learning Algorithms With Enforced Sparsity for fMRI Data Analysis.

PubMed

Seghouane, Abd-Krim; Iqbal, Asif

2017-09-01

Sequential dictionary learning algorithms have been successfully applied to functional magnetic resonance imaging (fMRI) data analysis. fMRI data sets are, however, structured data matrices with the notions of temporal smoothness in the column direction. This prior information, which can be converted into a constraint of smoothness on the learned dictionary atoms, has seldomly been included in classical dictionary learning algorithms when applied to fMRI data analysis. In this paper, we tackle this problem by proposing two new sequential dictionary learning algorithms dedicated to fMRI data analysis by accounting for this prior information. These algorithms differ from the existing ones in their dictionary update stage. The steps of this stage are derived as a variant of the power method for computing the SVD. The proposed algorithms generate regularized dictionary atoms via the solution of a left regularized rank-one matrix approximation problem where temporal smoothness is enforced via regularization through basis expansion and sparse basis expansion in the dictionary update stage. Applications on synthetic data experiments and real fMRI data sets illustrating the performance of the proposed algorithms are provided.

Diffusion Forecasting Model with Basis Functions from QR-Decomposition

NASA Astrophysics Data System (ADS)

Harlim, John; Yang, Haizhao

2018-06-01

The diffusion forecasting is a nonparametric approach that provably solves the Fokker-Planck PDE corresponding to Itô diffusion without knowing the underlying equation. The key idea of this method is to approximate the solution of the Fokker-Planck equation with a discrete representation of the shift (Koopman) operator on a set of basis functions generated via the diffusion maps algorithm. While the choice of these basis functions is provably optimal under appropriate conditions, computing these basis functions is quite expensive since it requires the eigendecomposition of an N× N diffusion matrix, where N denotes the data size and could be very large. For large-scale forecasting problems, only a few leading eigenvectors are computationally achievable. To overcome this computational bottleneck, a new set of basis functions constructed by orthonormalizing selected columns of the diffusion matrix and its leading eigenvectors is proposed. This computation can be carried out efficiently via the unpivoted Householder QR factorization. The efficiency and effectiveness of the proposed algorithm will be shown in both deterministically chaotic and stochastic dynamical systems; in the former case, the superiority of the proposed basis functions over purely eigenvectors is significant, while in the latter case forecasting accuracy is improved relative to using a purely small number of eigenvectors. Supporting arguments will be provided on three- and six-dimensional chaotic ODEs, a three-dimensional SDE that mimics turbulent systems, and also on the two spatial modes associated with the boreal winter Madden-Julian Oscillation obtained from applying the Nonlinear Laplacian Spectral Analysis on the measured Outgoing Longwave Radiation.

Diffusion Forecasting Model with Basis Functions from QR-Decomposition

NASA Astrophysics Data System (ADS)

Harlim, John; Yang, Haizhao

2017-12-01

The diffusion forecasting is a nonparametric approach that provably solves the Fokker-Planck PDE corresponding to Itô diffusion without knowing the underlying equation. The key idea of this method is to approximate the solution of the Fokker-Planck equation with a discrete representation of the shift (Koopman) operator on a set of basis functions generated via the diffusion maps algorithm. While the choice of these basis functions is provably optimal under appropriate conditions, computing these basis functions is quite expensive since it requires the eigendecomposition of an N× N diffusion matrix, where N denotes the data size and could be very large. For large-scale forecasting problems, only a few leading eigenvectors are computationally achievable. To overcome this computational bottleneck, a new set of basis functions constructed by orthonormalizing selected columns of the diffusion matrix and its leading eigenvectors is proposed. This computation can be carried out efficiently via the unpivoted Householder QR factorization. The efficiency and effectiveness of the proposed algorithm will be shown in both deterministically chaotic and stochastic dynamical systems; in the former case, the superiority of the proposed basis functions over purely eigenvectors is significant, while in the latter case forecasting accuracy is improved relative to using a purely small number of eigenvectors. Supporting arguments will be provided on three- and six-dimensional chaotic ODEs, a three-dimensional SDE that mimics turbulent systems, and also on the two spatial modes associated with the boreal winter Madden-Julian Oscillation obtained from applying the Nonlinear Laplacian Spectral Analysis on the measured Outgoing Longwave Radiation.

Application of multivariable search techniques to structural design optimization

NASA Technical Reports Server (NTRS)

Jones, R. T.; Hague, D. S.

1972-01-01

Multivariable optimization techniques are applied to a particular class of minimum weight structural design problems: the design of an axially loaded, pressurized, stiffened cylinder. Minimum weight designs are obtained by a variety of search algorithms: first- and second-order, elemental perturbation, and randomized techniques. An exterior penalty function approach to constrained minimization is employed. Some comparisons are made with solutions obtained by an interior penalty function procedure. In general, it would appear that an interior penalty function approach may not be as well suited to the class of design problems considered as the exterior penalty function approach. It is also shown that a combination of search algorithms will tend to arrive at an extremal design in a more reliable manner than a single algorithm. The effect of incorporating realistic geometrical constraints on stiffener cross-sections is investigated. A limited comparison is made between minimum weight cylinders designed on the basis of a linear stability analysis and cylinders designed on the basis of empirical buckling data. Finally, a technique for locating more than one extremal is demonstrated.

Potential Representation - Global vs. Local Trial Functions

NASA Astrophysics Data System (ADS)

Michel, Volker

2014-05-01

Many systems of trial functions are available for representing potential fields on the sphere or parts of the sphere. We distinguish global trial functions (such as spherical harmonics) from localized trial functions (such as spline basis functions, scaling functions, wavelets, and Slepian functions). All these systems have their own pros and cons. We discuss the advantages and disadvantages of several selected systems of trial functions and propose criteria for their applicability. Moreover, we present an algorithm which is able to combine different types of trial functions. This yields a sparser solution which combines the features of the different basis systems which are used.

Polychromatic sparse image reconstruction and mass attenuation spectrum estimation via B-spline basis function expansion

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

Gu, Renliang, E-mail: Venliang@iastate.edu, E-mail: ald@iastate.edu; Dogandžić, Aleksandar, E-mail: Venliang@iastate.edu, E-mail: ald@iastate.edu

2015-03-31

We develop a sparse image reconstruction method for polychromatic computed tomography (CT) measurements under the blind scenario where the material of the inspected object and the incident energy spectrum are unknown. To obtain a parsimonious measurement model parameterization, we first rewrite the measurement equation using our mass-attenuation parameterization, which has the Laplace integral form. The unknown mass-attenuation spectrum is expanded into basis functions using a B-spline basis of order one. We develop a block coordinate-descent algorithm for constrained minimization of a penalized negative log-likelihood function, where constraints and penalty terms ensure nonnegativity of the spline coefficients and sparsity of themore » density map image in the wavelet domain. This algorithm alternates between a Nesterov’s proximal-gradient step for estimating the density map image and an active-set step for estimating the incident spectrum parameters. Numerical simulations demonstrate the performance of the proposed scheme.« less

Communication: Practical and rigorous reduction of the many-electron quantum mechanical Coulomb problem to O(N{sup 2/3}) storage

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

Pederson, Mark R., E-mail: mark.pederson@science.doe.gov

2015-04-14

It is tacitly accepted that, for practical basis sets consisting of N functions, solution of the two-electron Coulomb problem in quantum mechanics requires storage of O(N{sup 4}) integrals in the small N limit. For localized functions, in the large N limit, or for planewaves, due to closure, the storage can be reduced to O(N{sup 2}) integrals. Here, it is shown that the storage can be further reduced to O(N{sup 2/3}) for separable basis functions. A practical algorithm, that uses standard one-dimensional Gaussian-quadrature sums, is demonstrated. The resulting algorithm allows for the simultaneous storage, or fast reconstruction, of any two-electron Coulombmore » integral required for a many-electron calculation on processors with limited memory and disk space. For example, for calculations involving a basis of 9171 planewaves, the memory required to effectively store all Coulomb integrals decreases from 2.8 Gbytes to less than 2.4 Mbytes.« less

High-resolution time-frequency representation of EEG data using multi-scale wavelets

NASA Astrophysics Data System (ADS)

Li, Yang; Cui, Wei-Gang; Luo, Mei-Lin; Li, Ke; Wang, Lina

2017-09-01

An efficient time-varying autoregressive (TVAR) modelling scheme that expands the time-varying parameters onto the multi-scale wavelet basis functions is presented for modelling nonstationary signals and with applications to time-frequency analysis (TFA) of electroencephalogram (EEG) signals. In the new parametric modelling framework, the time-dependent parameters of the TVAR model are locally represented by using a novel multi-scale wavelet decomposition scheme, which can allow the capability to capture the smooth trends as well as track the abrupt changes of time-varying parameters simultaneously. A forward orthogonal least square (FOLS) algorithm aided by mutual information criteria are then applied for sparse model term selection and parameter estimation. Two simulation examples illustrate that the performance of the proposed multi-scale wavelet basis functions outperforms the only single-scale wavelet basis functions or Kalman filter algorithm for many nonstationary processes. Furthermore, an application of the proposed method to a real EEG signal demonstrates the new approach can provide highly time-dependent spectral resolution capability.

Communication: practical and rigorous reduction of the many-electron quantum mechanical Coulomb problem to O(N(2/3)) storage.

PubMed

Pederson, Mark R

2015-04-14

It is tacitly accepted that, for practical basis sets consisting of N functions, solution of the two-electron Coulomb problem in quantum mechanics requires storage of O(N(4)) integrals in the small N limit. For localized functions, in the large N limit, or for planewaves, due to closure, the storage can be reduced to O(N(2)) integrals. Here, it is shown that the storage can be further reduced to O(N(2/3)) for separable basis functions. A practical algorithm, that uses standard one-dimensional Gaussian-quadrature sums, is demonstrated. The resulting algorithm allows for the simultaneous storage, or fast reconstruction, of any two-electron Coulomb integral required for a many-electron calculation on processors with limited memory and disk space. For example, for calculations involving a basis of 9171 planewaves, the memory required to effectively store all Coulomb integrals decreases from 2.8 Gbytes to less than 2.4 Mbytes.

The Ozone Mapping and Profiler Suite (OMPS) Limb Profiler (LP) Version 1 aerosol extinction retrieval algorithm: theoretical basis

NASA Astrophysics Data System (ADS)

Loughman, Robert; Bhartia, Pawan K.; Chen, Zhong; Xu, Philippe; Nyaku, Ernest; Taha, Ghassan

2018-05-01

The theoretical basis of the Ozone Mapping and Profiler Suite (OMPS) Limb Profiler (LP) Version 1 aerosol extinction retrieval algorithm is presented. The algorithm uses an assumed bimodal lognormal aerosol size distribution to retrieve aerosol extinction profiles at 675 nm from OMPS LP radiance measurements. A first-guess aerosol extinction profile is updated by iteration using the Chahine nonlinear relaxation method, based on comparisons between the measured radiance profile at 675 nm and the radiance profile calculated by the Gauss-Seidel limb-scattering (GSLS) radiative transfer model for a spherical-shell atmosphere. This algorithm is discussed in the context of previous limb-scattering aerosol extinction retrieval algorithms, and the most significant error sources are enumerated. The retrieval algorithm is limited primarily by uncertainty about the aerosol phase function. Horizontal variations in aerosol extinction, which violate the spherical-shell atmosphere assumed in the version 1 algorithm, may also limit the quality of the retrieved aerosol extinction profiles significantly.

Efficient and Flexible Computation of Many-Electron Wave Function Overlaps.

PubMed

Plasser, Felix; Ruckenbauer, Matthias; Mai, Sebastian; Oppel, Markus; Marquetand, Philipp; González, Leticia

2016-03-08

A new algorithm for the computation of the overlap between many-electron wave functions is described. This algorithm allows for the extensive use of recurring intermediates and thus provides high computational efficiency. Because of the general formalism employed, overlaps can be computed for varying wave function types, molecular orbitals, basis sets, and molecular geometries. This paves the way for efficiently computing nonadiabatic interaction terms for dynamics simulations. In addition, other application areas can be envisaged, such as the comparison of wave functions constructed at different levels of theory. Aside from explaining the algorithm and evaluating the performance, a detailed analysis of the numerical stability of wave function overlaps is carried out, and strategies for overcoming potential severe pitfalls due to displaced atoms and truncated wave functions are presented.

Efficient O(N) integration for all-electron electronic structure calculation using numeric basis functions

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

Havu, V.; Fritz Haber Institute of the Max Planck Society, Berlin; Blum, V.

2009-12-01

We consider the problem of developing O(N) scaling grid-based operations needed in many central operations when performing electronic structure calculations with numeric atom-centered orbitals as basis functions. We outline the overall formulation of localized algorithms, and specifically the creation of localized grid batches. The choice of the grid partitioning scheme plays an important role in the performance and memory consumption of the grid-based operations. Three different top-down partitioning methods are investigated, and compared with formally more rigorous yet much more expensive bottom-up algorithms. We show that a conceptually simple top-down grid partitioning scheme achieves essentially the same efficiency as themore » more rigorous bottom-up approaches.« less

The tensor hypercontracted parametric reduced density matrix algorithm: coupled-cluster accuracy with O(r(4)) scaling.

PubMed

Shenvi, Neil; van Aggelen, Helen; Yang, Yang; Yang, Weitao; Schwerdtfeger, Christine; Mazziotti, David

2013-08-07

Tensor hypercontraction is a method that allows the representation of a high-rank tensor as a product of lower-rank tensors. In this paper, we show how tensor hypercontraction can be applied to both the electron repulsion integral tensor and the two-particle excitation amplitudes used in the parametric 2-electron reduced density matrix (p2RDM) algorithm. Because only O(r) auxiliary functions are needed in both of these approximations, our overall algorithm can be shown to scale as O(r(4)), where r is the number of single-particle basis functions. We apply our algorithm to several small molecules, hydrogen chains, and alkanes to demonstrate its low formal scaling and practical utility. Provided we use enough auxiliary functions, we obtain accuracy similar to that of the standard p2RDM algorithm, somewhere between that of CCSD and CCSD(T).

A Class of Manifold Regularized Multiplicative Update Algorithms for Image Clustering.

PubMed

Yang, Shangming; Yi, Zhang; He, Xiaofei; Li, Xuelong

2015-12-01

Multiplicative update algorithms are important tools for information retrieval, image processing, and pattern recognition. However, when the graph regularization is added to the cost function, different classes of sample data may be mapped to the same subspace, which leads to the increase of data clustering error rate. In this paper, an improved nonnegative matrix factorization (NMF) cost function is introduced. Based on the cost function, a class of novel graph regularized NMF algorithms is developed, which results in a class of extended multiplicative update algorithms with manifold structure regularization. Analysis shows that in the learning, the proposed algorithms can efficiently minimize the rank of the data representation matrix. Theoretical results presented in this paper are confirmed by simulations. For different initializations and data sets, variation curves of cost functions and decomposition data are presented to show the convergence features of the proposed update rules. Basis images, reconstructed images, and clustering results are utilized to present the efficiency of the new algorithms. Last, the clustering accuracies of different algorithms are also investigated, which shows that the proposed algorithms can achieve state-of-the-art performance in applications of image clustering.

Projection pursuit water quality evaluation model based on chicken swam algorithm

NASA Astrophysics Data System (ADS)

Hu, Zhe

2018-03-01

In view of the uncertainty and ambiguity of each index in water quality evaluation, in order to solve the incompatibility of evaluation results of individual water quality indexes, a projection pursuit model based on chicken swam algorithm is proposed. The projection index function which can reflect the water quality condition is constructed, the chicken group algorithm (CSA) is introduced, the projection index function is optimized, the best projection direction of the projection index function is sought, and the best projection value is obtained to realize the water quality evaluation. The comparison between this method and other methods shows that it is reasonable and feasible to provide decision-making basis for water pollution control in the basin.

Common spatial pattern combined with kernel linear discriminate and generalized radial basis function for motor imagery-based brain computer interface applications

NASA Astrophysics Data System (ADS)

Hekmatmanesh, Amin; Jamaloo, Fatemeh; Wu, Huapeng; Handroos, Heikki; Kilpeläinen, Asko

2018-04-01

Brain Computer Interface (BCI) can be a challenge for developing of robotic, prosthesis and human-controlled systems. This work focuses on the implementation of a common spatial pattern (CSP) base algorithm to detect event related desynchronization patterns. Utilizing famous previous work in this area, features are extracted by filter bank with common spatial pattern (FBCSP) method, and then weighted by a sensitive learning vector quantization (SLVQ) algorithm. In the current work, application of the radial basis function (RBF) as a mapping kernel of linear discriminant analysis (KLDA) method on the weighted features, allows the transfer of data into a higher dimension for more discriminated data scattering by RBF kernel. Afterwards, support vector machine (SVM) with generalized radial basis function (GRBF) kernel is employed to improve the efficiency and robustness of the classification. Averagely, 89.60% accuracy and 74.19% robustness are achieved. BCI Competition III, Iva data set is used to evaluate the algorithm for detecting right hand and foot imagery movement patterns. Results show that combination of KLDA with SVM-GRBF classifier makes 8.9% and 14.19% improvements in accuracy and robustness, respectively. For all the subjects, it is concluded that mapping the CSP features into a higher dimension by RBF and utilization GRBF as a kernel of SVM, improve the accuracy and reliability of the proposed method.

Calculating vibrational spectra with sum of product basis functions without storing full-dimensional vectors or matrices.

PubMed

Leclerc, Arnaud; Carrington, Tucker

2014-05-07

We propose an iterative method for computing vibrational spectra that significantly reduces the memory cost of calculations. It uses a direct product primitive basis, but does not require storing vectors with as many components as there are product basis functions. Wavefunctions are represented in a basis each of whose functions is a sum of products (SOP) and the factorizable structure of the Hamiltonian is exploited. If the factors of the SOP basis functions are properly chosen, wavefunctions are linear combinations of a small number of SOP basis functions. The SOP basis functions are generated using a shifted block power method. The factors are refined with a rank reduction algorithm to cap the number of terms in a SOP basis function. The ideas are tested on a 20-D model Hamiltonian and a realistic CH3CN (12 dimensional) potential. For the 20-D problem, to use a standard direct product iterative approach one would need to store vectors with about 10(20) components and would hence require about 8 × 10(11) GB. With the approach of this paper only 1 GB of memory is necessary. Results for CH3CN agree well with those of a previous calculation on the same potential.

Zombie algorithms: a timesaving remote sensing systems engineering tool

NASA Astrophysics Data System (ADS)

Ardanuy, Philip E.; Powell, Dylan C.; Marley, Stephen

2008-08-01

In modern horror fiction, zombies are generally undead corpses brought back from the dead by supernatural or scientific means, and are rarely under anyone's direct control. They typically have very limited intelligence, and hunger for the flesh of the living [1]. Typical spectroradiometric or hyperspectral instruments providess calibrated radiances for a number of remote sensing algorithms. The algorithms typically must meet specified latency and availability requirements while yielding products at the required quality. These systems, whether research, operational, or a hybrid, are typically cost constrained. Complexity of the algorithms can be high, and may evolve and mature over time as sensor characterization changes, product validation occurs, and areas of scientific basis improvement are identified and completed. This suggests the need for a systems engineering process for algorithm maintenance that is agile, cost efficient, repeatable, and predictable. Experience on remote sensing science data systems suggests the benefits of "plug-n-play" concepts of operation. The concept, while intuitively simple, can be challenging to implement in practice. The use of zombie algorithms-empty shells that outwardly resemble the form, fit, and function of a "complete" algorithm without the implemented theoretical basis-provides the ground systems advantages equivalent to those obtained by integrating sensor engineering models onto the spacecraft bus. Combined with a mature, repeatable process for incorporating the theoretical basis, or scientific core, into the "head" of the zombie algorithm, along with associated scripting and registration, provides an easy "on ramp" for the rapid and low-risk integration of scientific applications into operational systems.

Common spaceborne multicomputer operating system and development environment

NASA Technical Reports Server (NTRS)

Craymer, L. G.; Lewis, B. F.; Hayes, P. J.; Jones, R. L.

1994-01-01

A preliminary technical specification for a multicomputer operating system is developed. The operating system is targeted for spaceborne flight missions and provides a broad range of real-time functionality, dynamic remote code-patching capability, and system fault tolerance and long-term survivability features. Dataflow concepts are used for representing application algorithms. Functional features are included to ensure real-time predictability for a class of algorithms which require data-driven execution on an iterative steady state basis. The development environment supports the development of algorithm code, design of control parameters, performance analysis, simulation of real-time dataflow applications, and compiling and downloading of the resulting application.

Training the Recurrent neural network by the Fuzzy Min-Max algorithm for fault prediction

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

Zemouri, Ryad; Racoceanu, Daniel; Zerhouni, Noureddine

2009-03-05

In this paper, we present a training technique of a Recurrent Radial Basis Function neural network for fault prediction. We use the Fuzzy Min-Max technique to initialize the k-center of the RRBF neural network. The k-means algorithm is then applied to calculate the centers that minimize the mean square error of the prediction task. The performances of the k-means algorithm are then boosted by the Fuzzy Min-Max technique.

Comparison of l₁-Norm SVR and Sparse Coding Algorithms for Linear Regression.

PubMed

Zhang, Qingtian; Hu, Xiaolin; Zhang, Bo

2015-08-01

Support vector regression (SVR) is a popular function estimation technique based on Vapnik's concept of support vector machine. Among many variants, the l1-norm SVR is known to be good at selecting useful features when the features are redundant. Sparse coding (SC) is a technique widely used in many areas and a number of efficient algorithms are available. Both l1-norm SVR and SC can be used for linear regression. In this brief, the close connection between the l1-norm SVR and SC is revealed and some typical algorithms are compared for linear regression. The results show that the SC algorithms outperform the Newton linear programming algorithm, an efficient l1-norm SVR algorithm, in efficiency. The algorithms are then used to design the radial basis function (RBF) neural networks. Experiments on some benchmark data sets demonstrate the high efficiency of the SC algorithms. In particular, one of the SC algorithms, the orthogonal matching pursuit is two orders of magnitude faster than a well-known RBF network designing algorithm, the orthogonal least squares algorithm.

Generalization of some hidden subgroup algorithms for input sets of arbitrary size

NASA Astrophysics Data System (ADS)

Poslu, Damla; Say, A. C. Cem

2006-05-01

We consider the problem of generalizing some quantum algorithms so that they will work on input domains whose cardinalities are not necessarily powers of two. When analyzing the algorithms we assume that generating superpositions of arbitrary subsets of basis states whose cardinalities are not necessarily powers of two perfectly is possible. We have taken Ballhysa's model as a template and have extended it to Chi, Kim and Lee's generalizations of the Deutsch-Jozsa algorithm and to Simon's algorithm. With perfectly equal superpositions of input sets of arbitrary size, Chi, Kim and Lee's generalized Deutsch-Jozsa algorithms, both for evenly-distributed and evenly-balanced functions, worked with one-sided error property. For Simon's algorithm the success probability of the generalized algorithm is the same as that of the original for input sets of arbitrary cardinalities with equiprobable superpositions, since the property that the measured strings are all those which have dot product zero with the string we search, for the case where the function is 2-to-1, is not lost.

Joint refinement model for the spin resolved one-electron reduced density matrix of YTiO3 using magnetic structure factors and magnetic Compton profiles data.

PubMed

Gueddida, Saber; Yan, Zeyin; Kibalin, Iurii; Voufack, Ariste Bolivard; Claiser, Nicolas; Souhassou, Mohamed; Lecomte, Claude; Gillon, Béatrice; Gillet, Jean-Michel

2018-04-28

In this paper, we propose a simple cluster model with limited basis sets to reproduce the unpaired electron distributions in a YTiO 3 ferromagnetic crystal. The spin-resolved one-electron-reduced density matrix is reconstructed simultaneously from theoretical magnetic structure factors and directional magnetic Compton profiles using our joint refinement algorithm. This algorithm is guided by the rescaling of basis functions and the adjustment of the spin population matrix. The resulting spin electron density in both position and momentum spaces from the joint refinement model is in agreement with theoretical and experimental results. Benefits brought from magnetic Compton profiles to the entire spin density matrix are illustrated. We studied the magnetic properties of the YTiO 3 crystal along the Ti-O 1 -Ti bonding. We found that the basis functions are mostly rescaled by means of magnetic Compton profiles, while the molecular occupation numbers are mainly modified by the magnetic structure factors.

Constructing diabatic representations using adiabatic and approximate diabatic data--Coping with diabolical singularities.

PubMed

Zhu, Xiaolei; Yarkony, David R

2016-01-28

We have recently introduced a diabatization scheme, which simultaneously fits and diabatizes adiabatic ab initio electronic wave functions, Zhu and Yarkony J. Chem. Phys. 140, 024112 (2014). The algorithm uses derivative couplings in the defining equations for the diabatic Hamiltonian, H(d), and fits all its matrix elements simultaneously to adiabatic state data. This procedure ultimately provides an accurate, quantifiably diabatic, representation of the adiabatic electronic structure data. However, optimizing the large number of nonlinear parameters in the basis functions and adjusting the number and kind of basis functions from which the fit is built, which provide the essential flexibility, has proved challenging. In this work, we introduce a procedure that combines adiabatic state and diabatic state data to efficiently optimize the nonlinear parameters and basis function expansion. Further, we consider using direct properties based diabatizations to initialize the fitting procedure. To address this issue, we introduce a systematic method for eliminating the debilitating (diabolical) singularities in the defining equations of properties based diabatizations. We exploit the observation that if approximate diabatic data are available, the commonly used approach of fitting each matrix element of H(d) individually provides a starting point (seed) from which convergence of the full H(d) construction algorithm is rapid. The optimization of nonlinear parameters and basis functions and the elimination of debilitating singularities are, respectively, illustrated using the 1,2,3,4(1)A states of phenol and the 1,2(1)A states of NH3, states which are coupled by conical intersections.

Reconstruction of 2D PET data with Monte Carlo generated system matrix for generalized natural pixels

NASA Astrophysics Data System (ADS)

Vandenberghe, Stefaan; Staelens, Steven; Byrne, Charles L.; Soares, Edward J.; Lemahieu, Ignace; Glick, Stephen J.

2006-06-01

In discrete detector PET, natural pixels are image basis functions calculated from the response of detector pairs. By using reconstruction with natural pixel basis functions, the discretization of the object into a predefined grid can be avoided. Here, we propose to use generalized natural pixel reconstruction. Using this approach, the basis functions are not the detector sensitivity functions as in the natural pixel case but uniform parallel strips. The backprojection of the strip coefficients results in the reconstructed image. This paper proposes an easy and efficient way to generate the matrix M directly by Monte Carlo simulation. Elements of the generalized natural pixel system matrix are formed by calculating the intersection of a parallel strip with the detector sensitivity function. These generalized natural pixels are easier to use than conventional natural pixels because the final step from solution to a square pixel representation is done by simple backprojection. Due to rotational symmetry in the PET scanner, the matrix M is block circulant and only the first blockrow needs to be stored. Data were generated using a fast Monte Carlo simulator using ray tracing. The proposed method was compared to a listmode MLEM algorithm, which used ray tracing for doing forward and backprojection. Comparison of the algorithms with different phantoms showed that an improved resolution can be obtained using generalized natural pixel reconstruction with accurate system modelling. In addition, it was noted that for the same resolution a lower noise level is present in this reconstruction. A numerical observer study showed the proposed method exhibited increased performance as compared to a standard listmode EM algorithm. In another study, more realistic data were generated using the GATE Monte Carlo simulator. For these data, a more uniform contrast recovery and a better contrast-to-noise performance were observed. It was observed that major improvements in contrast recovery were obtained with MLEM when the correct system matrix was used instead of simple ray tracing. The correct modelling was the major cause of improved contrast for the same background noise. Less important factors were the choice of the algorithm (MLEM performed better than ART) and the basis functions (generalized natural pixels gave better results than pixels).

A Novel RSSI Prediction Using Imperialist Competition Algorithm (ICA), Radial Basis Function (RBF) and Firefly Algorithm (FFA) in Wireless Networks

PubMed Central

Goudarzi, Shidrokh; Haslina Hassan, Wan; Abdalla Hashim, Aisha-Hassan; Soleymani, Seyed Ahmad; Anisi, Mohammad Hossein; Zakaria, Omar M.

2016-01-01

This study aims to design a vertical handover prediction method to minimize unnecessary handovers for a mobile node (MN) during the vertical handover process. This relies on a novel method for the prediction of a received signal strength indicator (RSSI) referred to as IRBF-FFA, which is designed by utilizing the imperialist competition algorithm (ICA) to train the radial basis function (RBF), and by hybridizing with the firefly algorithm (FFA) to predict the optimal solution. The prediction accuracy of the proposed IRBF–FFA model was validated by comparing it to support vector machines (SVMs) and multilayer perceptron (MLP) models. In order to assess the model’s performance, we measured the coefficient of determination (R2), correlation coefficient (r), root mean square error (RMSE) and mean absolute percentage error (MAPE). The achieved results indicate that the IRBF–FFA model provides more precise predictions compared to different ANNs, namely, support vector machines (SVMs) and multilayer perceptron (MLP). The performance of the proposed model is analyzed through simulated and real-time RSSI measurements. The results also suggest that the IRBF–FFA model can be applied as an efficient technique for the accurate prediction of vertical handover. PMID:27438600

A Novel RSSI Prediction Using Imperialist Competition Algorithm (ICA), Radial Basis Function (RBF) and Firefly Algorithm (FFA) in Wireless Networks.

PubMed

Goudarzi, Shidrokh; Haslina Hassan, Wan; Abdalla Hashim, Aisha-Hassan; Soleymani, Seyed Ahmad; Anisi, Mohammad Hossein; Zakaria, Omar M

2016-01-01

This study aims to design a vertical handover prediction method to minimize unnecessary handovers for a mobile node (MN) during the vertical handover process. This relies on a novel method for the prediction of a received signal strength indicator (RSSI) referred to as IRBF-FFA, which is designed by utilizing the imperialist competition algorithm (ICA) to train the radial basis function (RBF), and by hybridizing with the firefly algorithm (FFA) to predict the optimal solution. The prediction accuracy of the proposed IRBF-FFA model was validated by comparing it to support vector machines (SVMs) and multilayer perceptron (MLP) models. In order to assess the model's performance, we measured the coefficient of determination (R2), correlation coefficient (r), root mean square error (RMSE) and mean absolute percentage error (MAPE). The achieved results indicate that the IRBF-FFA model provides more precise predictions compared to different ANNs, namely, support vector machines (SVMs) and multilayer perceptron (MLP). The performance of the proposed model is analyzed through simulated and real-time RSSI measurements. The results also suggest that the IRBF-FFA model can be applied as an efficient technique for the accurate prediction of vertical handover.

A Mathematical Basis for the Safety Analysis of Conflict Prevention Algorithms

NASA Technical Reports Server (NTRS)

Maddalon, Jeffrey M.; Butler, Ricky W.; Munoz, Cesar A.; Dowek, Gilles

2009-01-01

In air traffic management systems, a conflict prevention system examines the traffic and provides ranges of guidance maneuvers that avoid conflicts. This guidance takes the form of ranges of track angles, vertical speeds, or ground speeds. These ranges may be assembled into prevention bands: maneuvers that should not be taken. Unlike conflict resolution systems, which presume that the aircraft already has a conflict, conflict prevention systems show conflicts for all maneuvers. Without conflict prevention information, a pilot might perform a maneuver that causes a near-term conflict. Because near-term conflicts can lead to safety concerns, strong verification of correct operation is required. This paper presents a mathematical framework to analyze the correctness of algorithms that produce conflict prevention information. This paper examines multiple mathematical approaches: iterative, vector algebraic, and trigonometric. The correctness theories are structured first to analyze conflict prevention information for all aircraft. Next, these theories are augmented to consider aircraft which will create a conflict within a given lookahead time. Certain key functions for a candidate algorithm, which satisfy this mathematical basis are presented; however, the proof that a full algorithm using these functions completely satisfies the definition of safety is not provided.

Point Set Denoising Using Bootstrap-Based Radial Basis Function.

PubMed

Liew, Khang Jie; Ramli, Ahmad; Abd Majid, Ahmad

2016-01-01

This paper examines the application of a bootstrap test error estimation of radial basis functions, specifically thin-plate spline fitting, in surface smoothing. The presence of noisy data is a common issue of the point set model that is generated from 3D scanning devices, and hence, point set denoising is one of the main concerns in point set modelling. Bootstrap test error estimation, which is applied when searching for the smoothing parameters of radial basis functions, is revisited. The main contribution of this paper is a smoothing algorithm that relies on a bootstrap-based radial basis function. The proposed method incorporates a k-nearest neighbour search and then projects the point set to the approximated thin-plate spline surface. Therefore, the denoising process is achieved, and the features are well preserved. A comparison of the proposed method with other smoothing methods is also carried out in this study.

Simulated quantum computation of molecular energies.

PubMed

Aspuru-Guzik, Alán; Dutoi, Anthony D; Love, Peter J; Head-Gordon, Martin

2005-09-09

The calculation time for the energy of atoms and molecules scales exponentially with system size on a classical computer but polynomially using quantum algorithms. We demonstrate that such algorithms can be applied to problems of chemical interest using modest numbers of quantum bits. Calculations of the water and lithium hydride molecular ground-state energies have been carried out on a quantum computer simulator using a recursive phase-estimation algorithm. The recursive algorithm reduces the number of quantum bits required for the readout register from about 20 to 4. Mappings of the molecular wave function to the quantum bits are described. An adiabatic method for the preparation of a good approximate ground-state wave function is described and demonstrated for a stretched hydrogen molecule. The number of quantum bits required scales linearly with the number of basis functions, and the number of gates required grows polynomially with the number of quantum bits.

Application of GA package in functional packaging

NASA Astrophysics Data System (ADS)

Belousova, D. A.; Noskova, E. E.; Kapulin, D. V.

2018-05-01

The approach to application program for the task of configuration of the elements of the commutation circuit for design of the radio-electronic equipment on the basis of the genetic algorithm is offered. The efficiency of the used approach for commutation circuits with different characteristics for computer-aided design on radio-electronic manufacturing is shown. The prototype of the computer-aided design subsystem on the basis of a package GA for R with a set of the general functions for optimization of multivariate models is programmed.

Automated cross-modal mapping in robotic eye/hand systems using plastic radial basis function networks

NASA Astrophysics Data System (ADS)

Meng, Qinggang; Lee, M. H.

2007-03-01

Advanced autonomous artificial systems will need incremental learning and adaptive abilities similar to those seen in humans. Knowledge from biology, psychology and neuroscience is now inspiring new approaches for systems that have sensory-motor capabilities and operate in complex environments. Eye/hand coordination is an important cross-modal cognitive function, and is also typical of many of the other coordinations that must be involved in the control and operation of embodied intelligent systems. This paper examines a biologically inspired approach for incrementally constructing compact mapping networks for eye/hand coordination. We present a simplified node-decoupled extended Kalman filter for radial basis function networks, and compare this with other learning algorithms. An experimental system consisting of a robot arm and a pan-and-tilt head with a colour camera is used to produce results and test the algorithms in this paper. We also present three approaches for adapting to structural changes during eye/hand coordination tasks, and the robustness of the algorithms under noise are investigated. The learning and adaptation approaches in this paper have similarities with current ideas about neural growth in the brains of humans and animals during tool-use, and infants during early cognitive development.

Stable computations with flat radial basis functions using vector-valued rational approximations

NASA Astrophysics Data System (ADS)

Wright, Grady B.; Fornberg, Bengt

2017-02-01

One commonly finds in applications of smooth radial basis functions (RBFs) that scaling the kernels so they are 'flat' leads to smaller discretization errors. However, the direct numerical approach for computing with flat RBFs (RBF-Direct) is severely ill-conditioned. We present an algorithm for bypassing this ill-conditioning that is based on a new method for rational approximation (RA) of vector-valued analytic functions with the property that all components of the vector share the same singularities. This new algorithm (RBF-RA) is more accurate, robust, and easier to implement than the Contour-Padé method, which is similarly based on vector-valued rational approximation. In contrast to the stable RBF-QR and RBF-GA algorithms, which are based on finding a better conditioned base in the same RBF-space, the new algorithm can be used with any type of smooth radial kernel, and it is also applicable to a wider range of tasks (including calculating Hermite type implicit RBF-FD stencils). We present a series of numerical experiments demonstrating the effectiveness of this new method for computing RBF interpolants in the flat regime. We also demonstrate the flexibility of the method by using it to compute implicit RBF-FD formulas in the flat regime and then using these for solving Poisson's equation in a 3-D spherical shell.

New algorithms for solving high even-order differential equations using third and fourth Chebyshev-Galerkin methods

NASA Astrophysics Data System (ADS)

Doha, E. H.; Abd-Elhameed, W. M.; Bassuony, M. A.

2013-03-01

This paper is concerned with spectral Galerkin algorithms for solving high even-order two point boundary value problems in one dimension subject to homogeneous and nonhomogeneous boundary conditions. The proposed algorithms are extended to solve two-dimensional high even-order differential equations. The key to the efficiency of these algorithms is to construct compact combinations of Chebyshev polynomials of the third and fourth kinds as basis functions. The algorithms lead to linear systems with specially structured matrices that can be efficiently inverted. Numerical examples are included to demonstrate the validity and applicability of the proposed algorithms, and some comparisons with some other methods are made.

Adiabatic superconducting cells for ultra-low-power artificial neural networks.

PubMed

Schegolev, Andrey E; Klenov, Nikolay V; Soloviev, Igor I; Tereshonok, Maxim V

2016-01-01

We propose the concept of using superconducting quantum interferometers for the implementation of neural network algorithms with extremely low power dissipation. These adiabatic elements are Josephson cells with sigmoid- and Gaussian-like activation functions. We optimize their parameters for application in three-layer perceptron and radial basis function networks.

An exact variational method to calculate vibrational energies of five atom molecules beyond the normal mode approach

DOE PAGES

Yu, Hua-Gen

2002-01-01

We present a full dimensional variational algorithm to calculate vibrational energies of penta-atomic molecules. The quantum mechanical Hamiltonian of the system for J=0 is derived in a set of orthogonal polyspherical coordinates in the body-fixed frame without any dynamical approximation. Moreover, the vibrational Hamiltonian has been obtained in an explicitly Hermitian form. Variational calculations are performed in a direct product discrete variable representation basis set. The sine functions are used for the radial coordinates, whereas the Legendre polynomials are employed for the polar angles. For the azimuthal angles, the symmetrically adapted Fourier–Chebyshev basis functions are utilized. The eigenvalue problem ismore » solved by a Lanczos iterative diagonalization algorithm. The preliminary application to methane is given. Ultimately, we made a comparison with previous results.« less

A Computationally Inexpensive Optimal Guidance via Radial-Basis-Function Neural Network for Autonomous Soft Landing on Asteroids

PubMed Central

Zhang, Peng; Liu, Keping; Zhao, Bo; Li, Yuanchun

2015-01-01

Optimal guidance is essential for the soft landing task. However, due to its high computational complexities, it is hardly applied to the autonomous guidance. In this paper, a computationally inexpensive optimal guidance algorithm based on the radial basis function neural network (RBFNN) is proposed. The optimization problem of the trajectory for soft landing on asteroids is formulated and transformed into a two-point boundary value problem (TPBVP). Combining the database of initial states with the relative initial co-states, an RBFNN is trained offline. The optimal trajectory of the soft landing is determined rapidly by applying the trained network in the online guidance. The Monte Carlo simulations of soft landing on the Eros433 are performed to demonstrate the effectiveness of the proposed guidance algorithm. PMID:26367382

Convergence and objective functions of some fault/noise-injection-based online learning algorithms for RBF networks.

PubMed

Ho, Kevin I-J; Leung, Chi-Sing; Sum, John

2010-06-01

In the last two decades, many online fault/noise injection algorithms have been developed to attain a fault tolerant neural network. However, not much theoretical works related to their convergence and objective functions have been reported. This paper studies six common fault/noise-injection-based online learning algorithms for radial basis function (RBF) networks, namely 1) injecting additive input noise, 2) injecting additive/multiplicative weight noise, 3) injecting multiplicative node noise, 4) injecting multiweight fault (random disconnection of weights), 5) injecting multinode fault during training, and 6) weight decay with injecting multinode fault. Based on the Gladyshev theorem, we show that the convergence of these six online algorithms is almost sure. Moreover, their true objective functions being minimized are derived. For injecting additive input noise during training, the objective function is identical to that of the Tikhonov regularizer approach. For injecting additive/multiplicative weight noise during training, the objective function is the simple mean square training error. Thus, injecting additive/multiplicative weight noise during training cannot improve the fault tolerance of an RBF network. Similar to injective additive input noise, the objective functions of other fault/noise-injection-based online algorithms contain a mean square error term and a specialized regularization term.

A practical radial basis function equalizer.

PubMed

Lee, J; Beach, C; Tepedelenlioglu, N

1999-01-01

A radial basis function (RBF) equalizer design process has been developed in which the number of basis function centers used is substantially fewer than conventionally required. The reduction of centers is accomplished in two-steps. First an algorithm is used to select a reduced set of centers that lie close to the decision boundary. Then the centers in this reduced set are grouped, and an average position is chosen to represent each group. Channel order and delay, which are determining factors in setting the initial number of centers, are estimated from regression analysis. In simulation studies, an RBF equalizer with more than 2000-to-1 reduction in centers performed as well as the RBF equalizer without reduction in centers, and better than a conventional linear equalizer.

a Gsa-Svm Hybrid System for Classification of Binary Problems

NASA Astrophysics Data System (ADS)

Sarafrazi, Soroor; Nezamabadi-pour, Hossein; Barahman, Mojgan

2011-06-01

This paperhybridizesgravitational search algorithm (GSA) with support vector machine (SVM) and made a novel GSA-SVM hybrid system to improve the classification accuracy in binary problems. GSA is an optimization heuristic toolused to optimize the value of SVM kernel parameter (in this paper, radial basis function (RBF) is chosen as the kernel function). The experimental results show that this newapproach can achieve high classification accuracy and is comparable to or better than the particle swarm optimization (PSO)-SVM and genetic algorithm (GA)-SVM, which are two hybrid systems for classification.

Constructing diabatic representations using adiabatic and approximate diabatic data – Coping with diabolical singularities

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

Zhu, Xiaolei, E-mail: virtualzx@gmail.com; Yarkony, David R., E-mail: yarkony@jhu.edu

2016-01-28

We have recently introduced a diabatization scheme, which simultaneously fits and diabatizes adiabatic ab initio electronic wave functions, Zhu and Yarkony J. Chem. Phys. 140, 024112 (2014). The algorithm uses derivative couplings in the defining equations for the diabatic Hamiltonian, H{sup d}, and fits all its matrix elements simultaneously to adiabatic state data. This procedure ultimately provides an accurate, quantifiably diabatic, representation of the adiabatic electronic structure data. However, optimizing the large number of nonlinear parameters in the basis functions and adjusting the number and kind of basis functions from which the fit is built, which provide the essential flexibility,more » has proved challenging. In this work, we introduce a procedure that combines adiabatic state and diabatic state data to efficiently optimize the nonlinear parameters and basis function expansion. Further, we consider using direct properties based diabatizations to initialize the fitting procedure. To address this issue, we introduce a systematic method for eliminating the debilitating (diabolical) singularities in the defining equations of properties based diabatizations. We exploit the observation that if approximate diabatic data are available, the commonly used approach of fitting each matrix element of H{sup d} individually provides a starting point (seed) from which convergence of the full H{sup d} construction algorithm is rapid. The optimization of nonlinear parameters and basis functions and the elimination of debilitating singularities are, respectively, illustrated using the 1,2,3,4{sup 1}A states of phenol and the 1,2{sup 1}A states of NH{sub 3}, states which are coupled by conical intersections.« less

Ensembles of radial basis function networks for spectroscopic detection of cervical precancer

NASA Technical Reports Server (NTRS)

Tumer, K.; Ramanujam, N.; Ghosh, J.; Richards-Kortum, R.

1998-01-01

The mortality related to cervical cancer can be substantially reduced through early detection and treatment. However, current detection techniques, such as Pap smear and colposcopy, fail to achieve a concurrently high sensitivity and specificity. In vivo fluorescence spectroscopy is a technique which quickly, noninvasively and quantitatively probes the biochemical and morphological changes that occur in precancerous tissue. A multivariate statistical algorithm was used to extract clinically useful information from tissue spectra acquired from 361 cervical sites from 95 patients at 337-, 380-, and 460-nm excitation wavelengths. The multivariate statistical analysis was also employed to reduce the number of fluorescence excitation-emission wavelength pairs required to discriminate healthy tissue samples from precancerous tissue samples. The use of connectionist methods such as multilayered perceptrons, radial basis function (RBF) networks, and ensembles of such networks was investigated. RBF ensemble algorithms based on fluorescence spectra potentially provide automated and near real-time implementation of precancer detection in the hands of nonexperts. The results are more reliable, direct, and accurate than those achieved by either human experts or multivariate statistical algorithms.

Communication: A novel implementation to compute MP2 correlation energies without basis set superposition errors and complete basis set extrapolation.

PubMed

Dixit, Anant; Claudot, Julien; Lebègue, Sébastien; Rocca, Dario

2017-06-07

By using a formulation based on the dynamical polarizability, we propose a novel implementation of second-order Møller-Plesset perturbation (MP2) theory within a plane wave (PW) basis set. Because of the intrinsic properties of PWs, this method is not affected by basis set superposition errors. Additionally, results are converged without relying on complete basis set extrapolation techniques; this is achieved by using the eigenvectors of the static polarizability as an auxiliary basis set to compactly and accurately represent the response functions involved in the MP2 equations. Summations over the large number of virtual states are avoided by using a formalism inspired by density functional perturbation theory, and the Lanczos algorithm is used to include dynamical effects. To demonstrate this method, applications to three weakly interacting dimers are presented.

Development of an analytical guidance algorithm for lunar descent

NASA Astrophysics Data System (ADS)

Chomel, Christina Tvrdik

In recent years, NASA has indicated a desire to return humans to the moon. With NASA planning manned missions within the next couple of decades, the concept development for these lunar vehicles has begun. The guidance, navigation, and control (GN&C) computer programs that will perform the function of safely landing a spacecraft on the moon are part of that development. The lunar descent guidance algorithm takes the horizontally oriented spacecraft from orbital speeds hundreds of kilometers from the desired landing point to the landing point at an almost vertical orientation and very low speed. Existing lunar descent GN&C algorithms date back to the Apollo era with little work available for implementation since then. Though these algorithms met the criteria of the 1960's, they are cumbersome today. At the basis of the lunar descent phase are two elements: the targeting, which generates a reference trajectory, and the real-time guidance, which forces the spacecraft to fly that trajectory. The Apollo algorithm utilizes a complex, iterative, numerical optimization scheme for developing the reference trajectory. The real-time guidance utilizes this reference trajectory in the form of a quartic rather than a more general format to force the real-time trajectory errors to converge to zero; however, there exist no guarantees under any conditions for this convergence. The proposed algorithm implements a purely analytical targeting algorithm used to generate two-dimensional trajectories "on-the-fly"' or to retarget the spacecraft to another landing site altogether. It is based on the analytical solutions to the equations for speed, downrange, and altitude as a function of flight path angle and assumes two constant thrust acceleration curves. The proposed real-time guidance algorithm has at its basis the three-dimensional non-linear equations of motion and a control law that is proven to converge under certain conditions through Lyapunov analysis to a reference trajectory formatted as a function of downrange, altitude, speed, and flight path angle. The two elements of the guidance algorithm are joined in Monte Carlo analysis to prove their robustness to initial state dispersions and mass and thrust errors. The robustness of the retargeting algorithm is also demonstrated.

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

NASA Astrophysics Data System (ADS)

Gong, Pu; Zou, Dong; Wang, Jiayue

2018-06-01

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

Spline smoothing of histograms by linear programming

NASA Technical Reports Server (NTRS)

Bennett, J. O.

1972-01-01

An algorithm for an approximating function to the frequency distribution is obtained from a sample of size n. To obtain the approximating function a histogram is made from the data. Next, Euclidean space approximations to the graph of the histogram using central B-splines as basis elements are obtained by linear programming. The approximating function has area one and is nonnegative.

Development of Artificial Neural Network Model for Diesel Fuel Properties Prediction using Vibrational Spectroscopy.

PubMed

Bolanča, Tomislav; Marinović, Slavica; Ukić, Sime; Jukić, Ante; Rukavina, Vinko

2012-06-01

This paper describes development of artificial neural network models which can be used to correlate and predict diesel fuel properties from several FTIR-ATR absorbances and Raman intensities as input variables. Multilayer feed forward and radial basis function neural networks have been used to rapid and simultaneous prediction of cetane number, cetane index, density, viscosity, distillation temperatures at 10% (T10), 50% (T50) and 90% (T90) recovery, contents of total aromatics and polycyclic aromatic hydrocarbons of commercial diesel fuels. In this study two-phase training procedures for multilayer feed forward networks were applied. While first phase training algorithm was constantly the back propagation one, two second phase training algorithms were varied and compared, namely: conjugate gradient and quasi Newton. In case of radial basis function network, radial layer was trained using K-means radial assignment algorithm and three different radial spread algorithms: explicit, isotropic and K-nearest neighbour. The number of hidden layer neurons and experimental data points used for the training set have been optimized for both neural networks in order to insure good predictive ability by reducing unnecessary experimental work. This work shows that developed artificial neural network models can determine main properties of diesel fuels simultaneously based on a single and fast IR or Raman measurement.

Quantized kernel least mean square algorithm.

PubMed

Chen, Badong; Zhao, Songlin; Zhu, Pingping; Príncipe, José C

2012-01-01

In this paper, we propose a quantization approach, as an alternative of sparsification, to curb the growth of the radial basis function structure in kernel adaptive filtering. The basic idea behind this method is to quantize and hence compress the input (or feature) space. Different from sparsification, the new approach uses the "redundant" data to update the coefficient of the closest center. In particular, a quantized kernel least mean square (QKLMS) algorithm is developed, which is based on a simple online vector quantization method. The analytical study of the mean square convergence has been carried out. The energy conservation relation for QKLMS is established, and on this basis we arrive at a sufficient condition for mean square convergence, and a lower and upper bound on the theoretical value of the steady-state excess mean square error. Static function estimation and short-term chaotic time-series prediction examples are presented to demonstrate the excellent performance.

Unsteady Solution of Non-Linear Differential Equations Using Walsh Function Series

NASA Technical Reports Server (NTRS)

Gnoffo, Peter A.

2015-01-01

Walsh functions form an orthonormal basis set consisting of square waves. The discontinuous nature of square waves make the system well suited for representing functions with discontinuities. The product of any two Walsh functions is another Walsh function - a feature that can radically change an algorithm for solving non-linear partial differential equations (PDEs). The solution algorithm of non-linear differential equations using Walsh function series is unique in that integrals and derivatives may be computed using simple matrix multiplication of series representations of functions. Solutions to PDEs are derived as functions of wave component amplitude. Three sample problems are presented to illustrate the Walsh function series approach to solving unsteady PDEs. These include an advection equation, a Burgers equation, and a Riemann problem. The sample problems demonstrate the use of the Walsh function solution algorithms, exploiting Fast Walsh Transforms in multi-dimensions (O(Nlog(N))). Details of a Fast Walsh Reciprocal, defined here for the first time, enable inversion of aWalsh Symmetric Matrix in O(Nlog(N)) operations. Walsh functions have been derived using a fractal recursion algorithm and these fractal patterns are observed in the progression of pairs of wave number amplitudes in the solutions. These patterns are most easily observed in a remapping defined as a fractal fingerprint (FFP). A prolongation of existing solutions to the next highest order exploits these patterns. The algorithms presented here are considered a work in progress that provide new alternatives and new insights into the solution of non-linear PDEs.

A Regularizer Approach for RBF Networks Under the Concurrent Weight Failure Situation.

PubMed

Leung, Chi-Sing; Wan, Wai Yan; Feng, Ruibin

2017-06-01

Many existing results on fault-tolerant algorithms focus on the single fault source situation, where a trained network is affected by one kind of weight failure. In fact, a trained network may be affected by multiple kinds of weight failure. This paper first studies how the open weight fault and the multiplicative weight noise degrade the performance of radial basis function (RBF) networks. Afterward, we define the objective function for training fault-tolerant RBF networks. Based on the objective function, we then develop two learning algorithms, one batch mode and one online mode. Besides, the convergent conditions of our online algorithm are investigated. Finally, we develop a formula to estimate the test set error of faulty networks trained from our approach. This formula helps us to optimize some tuning parameters, such as RBF width.

A fast and accurate online sequential learning algorithm for feedforward networks.

PubMed

Liang, Nan-Ying; Huang, Guang-Bin; Saratchandran, P; Sundararajan, N

2006-11-01

In this paper, we develop an online sequential learning algorithm for single hidden layer feedforward networks (SLFNs) with additive or radial basis function (RBF) hidden nodes in a unified framework. The algorithm is referred to as online sequential extreme learning machine (OS-ELM) and can learn data one-by-one or chunk-by-chunk (a block of data) with fixed or varying chunk size. The activation functions for additive nodes in OS-ELM can be any bounded nonconstant piecewise continuous functions and the activation functions for RBF nodes can be any integrable piecewise continuous functions. In OS-ELM, the parameters of hidden nodes (the input weights and biases of additive nodes or the centers and impact factors of RBF nodes) are randomly selected and the output weights are analytically determined based on the sequentially arriving data. The algorithm uses the ideas of ELM of Huang et al. developed for batch learning which has been shown to be extremely fast with generalization performance better than other batch training methods. Apart from selecting the number of hidden nodes, no other control parameters have to be manually chosen. Detailed performance comparison of OS-ELM is done with other popular sequential learning algorithms on benchmark problems drawn from the regression, classification and time series prediction areas. The results show that the OS-ELM is faster than the other sequential algorithms and produces better generalization performance.

Parallel Fixed Point Implementation of a Radial Basis Function Network in an FPGA

PubMed Central

de Souza, Alisson C. D.; Fernandes, Marcelo A. C.

2014-01-01

This paper proposes a parallel fixed point radial basis function (RBF) artificial neural network (ANN), implemented in a field programmable gate array (FPGA) trained online with a least mean square (LMS) algorithm. The processing time and occupied area were analyzed for various fixed point formats. The problems of precision of the ANN response for nonlinear classification using the XOR gate and interpolation using the sine function were also analyzed in a hardware implementation. The entire project was developed using the System Generator platform (Xilinx), with a Virtex-6 xc6vcx240t-1ff1156 as the target FPGA. PMID:25268918

Improved Algorithm For Finite-Field Normal-Basis Multipliers

NASA Technical Reports Server (NTRS)

Wang, C. C.

1989-01-01

Improved algorithm reduces complexity of calculations that must precede design of Massey-Omura finite-field normal-basis multipliers, used in error-correcting-code equipment and cryptographic devices. Algorithm represents an extension of development reported in "Algorithm To Design Finite-Field Normal-Basis Multipliers" (NPO-17109), NASA Tech Briefs, Vol. 12, No. 5, page 82.

Collision detection for spacecraft proximity operations. Ph.D. Thesis - MIT

NASA Technical Reports Server (NTRS)

Vaughan, Robin M.

1987-01-01

The development of a new collision detection algorithm to be used when two spacecraft are operating in the same vicinity is described. The two spacecraft are modeled as unions of convex polyhedra, where the polyhedron resulting from the union may be either convex or nonconvex. The relative motion of the two spacecraft is assumed to be such that one vehicle is moving with constant linear and angular velocity with respect to the other. The algorithm determines if a collision is possible and, if so, predicts the time when the collision will take place. The theoretical basis for the new collision detection algorithm is the C-function formulation of the configuration space approach recently introduced by researchers in robotics. Three different types of C-functions are defined that model the contacts between the vertices, edges, and faces of the polyhedra representing the two spacecraft. The C-functions are shown to be transcendental functions of time for the assumed trajectory of the moving spacecraft. The capabilities of the new algorithm are demonstrated for several example cases.

Quartic scaling MP2 for solids: A highly parallelized algorithm in the plane wave basis

NASA Astrophysics Data System (ADS)

Schäfer, Tobias; Ramberger, Benjamin; Kresse, Georg

2017-03-01

We present a low-complexity algorithm to calculate the correlation energy of periodic systems in second-order Møller-Plesset (MP2) perturbation theory. In contrast to previous approximation-free MP2 codes, our implementation possesses a quartic scaling, O ( N 4 ) , with respect to the system size N and offers an almost ideal parallelization efficiency. The general issue that the correlation energy converges slowly with the number of basis functions is eased by an internal basis set extrapolation. The key concept to reduce the scaling is to eliminate all summations over virtual orbitals which can be elegantly achieved in the Laplace transformed MP2 formulation using plane wave basis sets and fast Fourier transforms. Analogously, this approach could allow us to calculate second order screened exchange as well as particle-hole ladder diagrams with a similar low complexity. Hence, the presented method can be considered as a step towards systematically improved correlation energies.

Perioperative fluid therapy: defining a clinical algorithm between insufficient and excessive.

PubMed

Strunden, Mike S; Tank, Sascha; Kerner, Thoralf

2016-12-01

In the perioperative scenario, adequate fluid and volume therapy is a challenging task. Despite improved knowledge on the physiology of the vascular barrier function and its respective pathophysiologic disturbances during the perioperative process, clear-cut therapeutic principles are difficult to implement. Neglecting the physiologic basis of the vascular barrier and the cardiovascular system, numerous studies proclaiming different approaches to fluid and volume therapy do not provide a rationale, as various surgical and patient risk groups, and different fluid regimens combined with varying hemodynamic measures and variable algorithms led to conflicting results. This review refers to the physiologic basis and answers questions inseparably conjoined to a rational approach to perioperative fluid and volume therapy: Why does fluid get lost from the vasculature perioperatively? Whereto does it get lost? Based on current findings and rationale considerations, which fluid replacement algorithm could be implemented into clinical routine? Copyright © 2016 Elsevier Inc. All rights reserved.

Vowel Imagery Decoding toward Silent Speech BCI Using Extreme Learning Machine with Electroencephalogram

PubMed Central

Kim, Jongin; Park, Hyeong-jun

2016-01-01

The purpose of this study is to classify EEG data on imagined speech in a single trial. We recorded EEG data while five subjects imagined different vowels, /a/, /e/, /i/, /o/, and /u/. We divided each single trial dataset into thirty segments and extracted features (mean, variance, standard deviation, and skewness) from all segments. To reduce the dimension of the feature vector, we applied a feature selection algorithm based on the sparse regression model. These features were classified using a support vector machine with a radial basis function kernel, an extreme learning machine, and two variants of an extreme learning machine with different kernels. Because each single trial consisted of thirty segments, our algorithm decided the label of the single trial by selecting the most frequent output among the outputs of the thirty segments. As a result, we observed that the extreme learning machine and its variants achieved better classification rates than the support vector machine with a radial basis function kernel and linear discrimination analysis. Thus, our results suggested that EEG responses to imagined speech could be successfully classified in a single trial using an extreme learning machine with a radial basis function and linear kernel. This study with classification of imagined speech might contribute to the development of silent speech BCI systems. PMID:28097128

Variational Calculations of Ro-Vibrational Energy Levels and Transition Intensities for Tetratomic Molecules

NASA Technical Reports Server (NTRS)

Schwenke, David W.; Langhoff, Stephen R. (Technical Monitor)

1995-01-01

A description is given of an algorithm for computing ro-vibrational energy levels for tetratomic molecules. The expressions required for evaluating transition intensities are also given. The variational principle is used to determine the energy levels and the kinetic energy operator is simple and evaluated exactly. The computational procedure is split up into the determination of one dimensional radial basis functions, the computation of a contracted rotational-bending basis, followed by a final variational step coupling all degrees of freedom. An angular basis is proposed whereby the rotational-bending contraction takes place in three steps. Angular matrix elements of the potential are evaluated by expansion in terms of a suitable basis and the angular integrals are given in a factorized form which simplifies their evaluation. The basis functions in the final variational step have the full permutation symmetries of the identical particles. Sample results are given for HCCH and BH3.

Parallel Algorithms for Groebner-Basis Reduction

DTIC Science & Technology

1987-09-25

22209 ELEMENT NO. NO. NO. ACCESSION NO. 11. TITLE (Include Security Classification) * PARALLEL ALGORITHMS FOR GROEBNER -BASIS REDUCTION 12. PERSONAL...All other editions are obsolete. Productivity Engineering in the UNIXt Environment p Parallel Algorithms for Groebner -Basis Reduction Technical Report

Approximate Dynamic Programming Algorithms for United States Air Force Officer Sustainment

DTIC Science & Technology

2015-03-26

level of correction needed. While paying bonuses has an easily calculable cost, RIFs have more subtle costs. Mone (1994) discovered that in a steady...a regression is performed utilizing instrumental variables to minimize Bellman error. This algorithm uses a set of basis functions to approximate the...transitioned to an all-volunteer force. Charnes et al. (1972) utilize a goal programming model for General Schedule civilian manpower management in the

Reconstruction of internal density distributions in porous bodies from laser ultrasonic data

NASA Technical Reports Server (NTRS)

Lu, Yichi; Goldman, Jeffrey A.; Wadley, Haydn N. G.

1992-01-01

It is presently shown that, for density-reconstruction problems in which information about the inhomogeneity is known a priori, the nonlinear least-squares algorithm yields satisfactory results on the basis of limited projection data. The back-projection algorithm, which obviates assumptions about the objective function to be reconstructed, does not recover the boundary of the inhomogeneity when the number of projections is limited and ray-bending is ignored.

3-D shape estimation of DNA molecules from stereo cryo-electron micro-graphs using a projection-steerable snake.

PubMed

Jacob, Mathews; Blu, Thierry; Vaillant, Cedric; Maddocks, John H; Unser, Michael

2006-01-01

We introduce a three-dimensional (3-D) parametric active contour algorithm for the shape estimation of DNA molecules from stereo cryo-electron micrographs. We estimate the shape by matching the projections of a 3-D global shape model with the micrographs; we choose the global model as a 3-D filament with a B-spline skeleton and a specified radial profile. The active contour algorithm iteratively updates the B-spline coefficients, which requires us to evaluate the projections and match them with the micrographs at every iteration. Since the evaluation of the projections of the global model is computationally expensive, we propose a fast algorithm based on locally approximating it by elongated blob-like templates. We introduce the concept of projection-steerability and derive a projection-steerable elongated template. Since the two-dimensional projections of such a blob at any 3-D orientation can be expressed as a linear combination of a few basis functions, matching the projections of such a 3-D template involves evaluating a weighted sum of inner products between the basis functions and the micrographs. The weights are simple functions of the 3-D orientation and the inner-products are evaluated efficiently by separable filtering. We choose an internal energy term that penalizes the average curvature magnitude. Since the exact length of the DNA molecule is known a priori, we introduce a constraint energy term that forces the curve to have this specified length. The sum of these energies along with the image energy derived from the matching process is minimized using the conjugate gradients algorithm. We validate the algorithm using real, as well as simulated, data and show that it performs well.

Health management system for rocket engines

NASA Technical Reports Server (NTRS)

Nemeth, Edward

1990-01-01

The functional framework of a failure detection algorithm for the Space Shuttle Main Engine (SSME) is developed. The basic algorithm is based only on existing SSME measurements. Supplemental measurements, expected to enhance failure detection effectiveness, are identified. To support the algorithm development, a figure of merit is defined to estimate the likelihood of SSME criticality 1 failure modes and the failure modes are ranked in order of likelihood of occurrence. Nine classes of failure detection strategies are evaluated and promising features are extracted as the basis for the failure detection algorithm. The failure detection algorithm provides early warning capabilities for a wide variety of SSME failure modes. Preliminary algorithm evaluation, using data from three SSME failures representing three different failure types, demonstrated indications of imminent catastrophic failure well in advance of redline cutoff in all three cases.

Local gravity field modeling using spherical radial basis functions and a genetic algorithm

NASA Astrophysics Data System (ADS)

Mahbuby, Hany; Safari, Abdolreza; Foroughi, Ismael

2017-05-01

Spherical Radial Basis Functions (SRBFs) can express the local gravity field model of the Earth if they are parameterized optimally on or below the Bjerhammar sphere. This parameterization is generally defined as the shape of the base functions, their number, center locations, bandwidths, and scale coefficients. The number/location and bandwidths of the base functions are the most important parameters for accurately representing the gravity field; once they are determined, the scale coefficients can then be computed accordingly. In this study, the point-mass kernel, as the simplest shape of SRBFs, is chosen to evaluate the synthesized free-air gravity anomalies over the rough area in Auvergne and GNSS/Leveling points (synthetic height anomalies) are used to validate the results. A two-step automatic approach is proposed to determine the optimum distribution of the base functions. First, the location of the base functions and their bandwidths are found using the genetic algorithm; second, the conjugate gradient least squares method is employed to estimate the scale coefficients. The proposed methodology shows promising results. On the one hand, when using the genetic algorithm, the base functions do not need to be set to a regular grid and they can move according to the roughness of topography. In this way, the models meet the desired accuracy with a low number of base functions. On the other hand, the conjugate gradient method removes the bias between derived quasigeoid heights from the model and from the GNSS/leveling points; this means there is no need for a corrector surface. The numerical test on the area of interest revealed an RMS of 0.48 mGal for the differences between predicted and observed gravity anomalies, and a corresponding 9 cm for the differences in GNSS/leveling points.

Efficient time-dependent density functional theory approximations for hybrid density functionals: analytical gradients and parallelization.

PubMed

Petrenko, Taras; Kossmann, Simone; Neese, Frank

2011-02-07

In this paper, we present the implementation of efficient approximations to time-dependent density functional theory (TDDFT) within the Tamm-Dancoff approximation (TDA) for hybrid density functionals. For the calculation of the TDDFT/TDA excitation energies and analytical gradients, we combine the resolution of identity (RI-J) algorithm for the computation of the Coulomb terms and the recently introduced "chain of spheres exchange" (COSX) algorithm for the calculation of the exchange terms. It is shown that for extended basis sets, the RIJCOSX approximation leads to speedups of up to 2 orders of magnitude compared to traditional methods, as demonstrated for hydrocarbon chains. The accuracy of the adiabatic transition energies, excited state structures, and vibrational frequencies is assessed on a set of 27 excited states for 25 molecules with the configuration interaction singles and hybrid TDDFT/TDA methods using various basis sets. Compared to the canonical values, the typical error in transition energies is of the order of 0.01 eV. Similar to the ground-state results, excited state equilibrium geometries differ by less than 0.3 pm in the bond distances and 0.5° in the bond angles from the canonical values. The typical error in the calculated excited state normal coordinate displacements is of the order of 0.01, and relative error in the calculated excited state vibrational frequencies is less than 1%. The errors introduced by the RIJCOSX approximation are, thus, insignificant compared to the errors related to the approximate nature of the TDDFT methods and basis set truncation. For TDDFT/TDA energy and gradient calculations on Ag-TB2-helicate (156 atoms, 2732 basis functions), it is demonstrated that the COSX algorithm parallelizes almost perfectly (speedup ~26-29 for 30 processors). The exchange-correlation terms also parallelize well (speedup ~27-29 for 30 processors). The solution of the Z-vector equations shows a speedup of ~24 on 30 processors. The parallelization efficiency for the Coulomb terms can be somewhat smaller (speedup ~15-25 for 30 processors), but their contribution to the total calculation time is small. Thus, the parallel program completes a Becke3-Lee-Yang-Parr energy and gradient calculation on the Ag-TB2-helicate in less than 4 h on 30 processors. We also present the necessary extension of the Lagrangian formalism, which enables the calculation of the TDDFT excited state properties in the frozen-core approximation. The algorithms described in this work are implemented into the ORCA electronic structure system.

Wavelet decomposition and radial basis function networks for system monitoring

NASA Astrophysics Data System (ADS)

Ikonomopoulos, A.; Endou, A.

1998-10-01

Two approaches are coupled to develop a novel collection of black box models for monitoring operational parameters in a complex system. The idea springs from the intention of obtaining multiple predictions for each system variable and fusing them before they are used to validate the actual measurement. The proposed architecture pairs the analytical abilities of the discrete wavelet decomposition with the computational power of radial basis function networks. Members of a wavelet family are constructed in a systematic way and chosen through a statistical selection criterion that optimizes the structure of the network. Network parameters are further optimized through a quasi-Newton algorithm. The methodology is demonstrated utilizing data obtained during two transients of the Monju fast breeder reactor. The models developed are benchmarked with respect to similar regressors based on Gaussian basis functions.

Conical : An extended module for computing a numerically satisfactory pair of solutions of the differential equation for conical functions

NASA Astrophysics Data System (ADS)

Dunster, T. M.; Gil, A.; Segura, J.; Temme, N. M.

2017-08-01

Conical functions appear in a large number of applications in physics and engineering. In this paper we describe an extension of our module Conical (Gil et al., 2012) for the computation of conical functions. Specifically, the module includes now a routine for computing the function R-1/2+ iτ m (x) , a real-valued numerically satisfactory companion of the function P-1/2+ iτ m (x) for x > 1. In this way, a natural basis for solving Dirichlet problems bounded by conical domains is provided. The module also improves the performance of our previous algorithm for the conical function P-1/2+ iτ m (x) and it includes now the computation of the first order derivative of the function. This is also considered for the function R-1/2+ iτ m (x) in the extended algorithm.

Integrand-level reduction of loop amplitudes by computational algebraic geometry methods

NASA Astrophysics Data System (ADS)

Zhang, Yang

2012-09-01

We present an algorithm for the integrand-level reduction of multi-loop amplitudes of renormalizable field theories, based on computational algebraic geometry. This algorithm uses (1) the Gröbner basis method to determine the basis for integrand-level reduction, (2) the primary decomposition of an ideal to classify all inequivalent solutions of unitarity cuts. The resulting basis and cut solutions can be used to reconstruct the integrand from unitarity cuts, via polynomial fitting techniques. The basis determination part of the algorithm has been implemented in the Mathematica package, BasisDet. The primary decomposition part can be readily carried out by algebraic geometry softwares, with the output of the package BasisDet. The algorithm works in both D = 4 and D = 4 - 2 ɛ dimensions, and we present some two and three-loop examples of applications of this algorithm.

A new clustering strategy

NASA Astrophysics Data System (ADS)

Feng, Jian-xin; Tang, Jia-fu; Wang, Guang-xing

2007-04-01

On the basis of the analysis of clustering algorithm that had been proposed for MANET, a novel clustering strategy was proposed in this paper. With the trust defined by statistical hypothesis in probability theory and the cluster head selected by node trust and node mobility, this strategy can realize the function of the malicious nodes detection which was neglected by other clustering algorithms and overcome the deficiency of being incapable of implementing the relative mobility metric of corresponding nodes in the MOBIC algorithm caused by the fact that the receiving power of two consecutive HELLO packet cannot be measured. It's an effective solution to cluster MANET securely.

Parallel Lattice Basis Reduction Using a Multi-threaded Schnorr-Euchner LLL Algorithm

NASA Astrophysics Data System (ADS)

Backes, Werner; Wetzel, Susanne

In this paper, we introduce a new parallel variant of the LLL lattice basis reduction algorithm. Our new, multi-threaded algorithm is the first to provide an efficient, parallel implementation of the Schorr-Euchner algorithm for today’s multi-processor, multi-core computer architectures. Experiments with sparse and dense lattice bases show a speed-up factor of about 1.8 for the 2-thread and about factor 3.2 for the 4-thread version of our new parallel lattice basis reduction algorithm in comparison to the traditional non-parallel algorithm.

Beamspace dual signal space projection (bDSSP): a method for selective detection of deep sources in MEG measurements.

PubMed

Sekihara, Kensuke; Adachi, Yoshiaki; Kubota, Hiroshi K; Cai, Chang; Nagarajan, Srikantan S

2018-06-01

Magnetoencephalography (MEG) has a well-recognized weakness at detecting deeper brain activities. This paper proposes a novel algorithm for selective detection of deep sources by suppressing interference signals from superficial sources in MEG measurements. The proposed algorithm combines the beamspace preprocessing method with the dual signal space projection (DSSP) interference suppression method. A prerequisite of the proposed algorithm is prior knowledge of the location of the deep sources. The proposed algorithm first derives the basis vectors that span a local region just covering the locations of the deep sources. It then estimates the time-domain signal subspace of the superficial sources by using the projector composed of these basis vectors. Signals from the deep sources are extracted by projecting the row space of the data matrix onto the direction orthogonal to the signal subspace of the superficial sources. Compared with the previously proposed beamspace signal space separation (SSS) method, the proposed algorithm is capable of suppressing much stronger interference from superficial sources. This capability is demonstrated in our computer simulation as well as experiments using phantom data. The proposed bDSSP algorithm can be a powerful tool in studies of physiological functions of midbrain and deep brain structures.

Beamspace dual signal space projection (bDSSP): a method for selective detection of deep sources in MEG measurements

NASA Astrophysics Data System (ADS)

Sekihara, Kensuke; Adachi, Yoshiaki; Kubota, Hiroshi K.; Cai, Chang; Nagarajan, Srikantan S.

2018-06-01

Objective. Magnetoencephalography (MEG) has a well-recognized weakness at detecting deeper brain activities. This paper proposes a novel algorithm for selective detection of deep sources by suppressing interference signals from superficial sources in MEG measurements. Approach. The proposed algorithm combines the beamspace preprocessing method with the dual signal space projection (DSSP) interference suppression method. A prerequisite of the proposed algorithm is prior knowledge of the location of the deep sources. The proposed algorithm first derives the basis vectors that span a local region just covering the locations of the deep sources. It then estimates the time-domain signal subspace of the superficial sources by using the projector composed of these basis vectors. Signals from the deep sources are extracted by projecting the row space of the data matrix onto the direction orthogonal to the signal subspace of the superficial sources. Main results. Compared with the previously proposed beamspace signal space separation (SSS) method, the proposed algorithm is capable of suppressing much stronger interference from superficial sources. This capability is demonstrated in our computer simulation as well as experiments using phantom data. Significance. The proposed bDSSP algorithm can be a powerful tool in studies of physiological functions of midbrain and deep brain structures.

Fast and accurate computation of projected two-point functions

NASA Astrophysics Data System (ADS)

Grasshorn Gebhardt, Henry S.; Jeong, Donghui

2018-01-01

We present the two-point function from the fast and accurate spherical Bessel transformation (2-FAST) algorithm1Our code is available at https://github.com/hsgg/twoFAST. for a fast and accurate computation of integrals involving one or two spherical Bessel functions. These types of integrals occur when projecting the galaxy power spectrum P (k ) onto the configuration space, ξℓν(r ), or spherical harmonic space, Cℓ(χ ,χ'). First, we employ the FFTLog transformation of the power spectrum to divide the calculation into P (k )-dependent coefficients and P (k )-independent integrations of basis functions multiplied by spherical Bessel functions. We find analytical expressions for the latter integrals in terms of special functions, for which recursion provides a fast and accurate evaluation. The algorithm, therefore, circumvents direct integration of highly oscillating spherical Bessel functions.

Self-organizing radial basis function networks for adaptive flight control and aircraft engine state estimation

NASA Astrophysics Data System (ADS)

Shankar, Praveen

The performance of nonlinear control algorithms such as feedback linearization and dynamic inversion is heavily dependent on the fidelity of the dynamic model being inverted. Incomplete or incorrect knowledge of the dynamics results in reduced performance and may lead to instability. Augmenting the baseline controller with approximators which utilize a parametrization structure that is adapted online reduces the effect of this error between the design model and actual dynamics. However, currently existing parameterizations employ a fixed set of basis functions that do not guarantee arbitrary tracking error performance. To address this problem, we develop a self-organizing parametrization structure that is proven to be stable and can guarantee arbitrary tracking error performance. The training algorithm to grow the network and adapt the parameters is derived from Lyapunov theory. In addition to growing the network of basis functions, a pruning strategy is incorporated to keep the size of the network as small as possible. This algorithm is implemented on a high performance flight vehicle such as F-15 military aircraft. The baseline dynamic inversion controller is augmented with a Self-Organizing Radial Basis Function Network (SORBFN) to minimize the effect of the inversion error which may occur due to imperfect modeling, approximate inversion or sudden changes in aircraft dynamics. The dynamic inversion controller is simulated for different situations including control surface failures, modeling errors and external disturbances with and without the adaptive network. A performance measure of maximum tracking error is specified for both the controllers a priori. Excellent tracking error minimization to a pre-specified level using the adaptive approximation based controller was achieved while the baseline dynamic inversion controller failed to meet this performance specification. The performance of the SORBFN based controller is also compared to a fixed RBF network based adaptive controller. While the fixed RBF network based controller which is tuned to compensate for control surface failures fails to achieve the same performance under modeling uncertainty and disturbances, the SORBFN is able to achieve good tracking convergence under all error conditions.

Mesh-free based variational level set evolution for breast region segmentation and abnormality detection using mammograms.

PubMed

Kashyap, Kanchan L; Bajpai, Manish K; Khanna, Pritee; Giakos, George

2018-01-01

Automatic segmentation of abnormal region is a crucial task in computer-aided detection system using mammograms. In this work, an automatic abnormality detection algorithm using mammographic images is proposed. In the preprocessing step, partial differential equation-based variational level set method is used for breast region extraction. The evolution of the level set method is done by applying mesh-free-based radial basis function (RBF). The limitation of mesh-based approach is removed by using mesh-free-based RBF method. The evolution of variational level set function is also done by mesh-based finite difference method for comparison purpose. Unsharp masking and median filtering is used for mammogram enhancement. Suspicious abnormal regions are segmented by applying fuzzy c-means clustering. Texture features are extracted from the segmented suspicious regions by computing local binary pattern and dominated rotated local binary pattern (DRLBP). Finally, suspicious regions are classified as normal or abnormal regions by means of support vector machine with linear, multilayer perceptron, radial basis, and polynomial kernel function. The algorithm is validated on 322 sample mammograms of mammographic image analysis society (MIAS) and 500 mammograms from digital database for screening mammography (DDSM) datasets. Proficiency of the algorithm is quantified by using sensitivity, specificity, and accuracy. The highest sensitivity, specificity, and accuracy of 93.96%, 95.01%, and 94.48%, respectively, are obtained on MIAS dataset using DRLBP feature with RBF kernel function. Whereas, the highest 92.31% sensitivity, 98.45% specificity, and 96.21% accuracy are achieved on DDSM dataset using DRLBP feature with RBF kernel function. Copyright © 2017 John Wiley & Sons, Ltd.

Algorithm for quantum-mechanical finite-nuclear-mass variational calculations of atoms with two p electrons using all-electron explicitly correlated Gaussian basis functions

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

Sharkey, Keeper L.; Pavanello, Michele; Bubin, Sergiy

2009-12-15

A new algorithm for calculating the Hamiltonian matrix elements with all-electron explicitly correlated Gaussian functions for quantum-mechanical calculations of atoms with two p electrons or a single d electron have been derived and implemented. The Hamiltonian used in the approach was obtained by rigorously separating the center-of-mass motion and it explicitly depends on the finite mass of the nucleus. The approach was employed to perform test calculations on the isotopes of the carbon atom in their ground electronic states and to determine the finite-nuclear-mass corrections for these states.

On the suitability of different representations of solid catalysts for combinatorial library design by genetic algorithms.

PubMed

Gobin, Oliver C; Schüth, Ferdi

2008-01-01

Genetic algorithms are widely used to solve and optimize combinatorial problems and are more often applied for library design in combinatorial chemistry. Because of their flexibility, however, their implementation can be challenging. In this study, the influence of the representation of solid catalysts on the performance of genetic algorithms was systematically investigated on the basis of a new, constrained, multiobjective, combinatorial test problem with properties common to problems in combinatorial materials science. Constraints were satisfied by penalty functions, repair algorithms, or special representations. The tests were performed using three state-of-the-art evolutionary multiobjective algorithms by performing 100 optimization runs for each algorithm and test case. Experimental data obtained during the optimization of a noble metal-free solid catalyst system active in the selective catalytic reduction of nitric oxide with propene was used to build up a predictive model to validate the results of the theoretical test problem. A significant influence of the representation on the optimization performance was observed. Binary encodings were found to be the preferred encoding in most of the cases, and depending on the experimental test unit, repair algorithms or penalty functions performed best.

User's guide to SILVAH: stand analysis, prescription, and management simulator program for hardwood stands of the Alleghenies.

Treesearch

David A. Marquis; Richard L. Ernst

1992-01-01

Describes the purpose and function of the SILVAH computer program in general terms; provides detailed instructions on use of the program; and provides information on program organization , data formats, and the basis of processing algorithms.

Radial basis function neural networks in non-destructive determination of compound aspirin tablets on NIR spectroscopy.

PubMed

Dou, Ying; Mi, Hong; Zhao, Lingzhi; Ren, Yuqiu; Ren, Yulin

2006-09-01

The application of the second most popular artificial neural networks (ANNs), namely, the radial basis function (RBF) networks, has been developed for quantitative analysis of drugs during the last decade. In this paper, the two components (aspirin and phenacetin) were simultaneously determined in compound aspirin tablets by using near-infrared (NIR) spectroscopy and RBF networks. The total database was randomly divided into a training set (50) and a testing set (17). Different preprocessing methods (standard normal variate (SNV), multiplicative scatter correction (MSC), first-derivative and second-derivative) were applied to two sets of NIR spectra of compound aspirin tablets with different concentrations of two active components and compared each other. After that, the performance of RBF learning algorithm adopted the nearest neighbor clustering algorithm (NNCA) and the criterion for selection used a cross-validation technique. Results show that using RBF networks to quantificationally analyze tablets is reliable, and the best RBF model was obtained by first-derivative spectra.

Lanczos algorithm with matrix product states for dynamical correlation functions

NASA Astrophysics Data System (ADS)

Dargel, P. E.; Wöllert, A.; Honecker, A.; McCulloch, I. P.; Schollwöck, U.; Pruschke, T.

2012-05-01

The density-matrix renormalization group (DMRG) algorithm can be adapted to the calculation of dynamical correlation functions in various ways which all represent compromises between computational efficiency and physical accuracy. In this paper we reconsider the oldest approach based on a suitable Lanczos-generated approximate basis and implement it using matrix product states (MPS) for the representation of the basis states. The direct use of matrix product states combined with an ex post reorthogonalization method allows us to avoid several shortcomings of the original approach, namely the multitargeting and the approximate representation of the Hamiltonian inherent in earlier Lanczos-method implementations in the DMRG framework, and to deal with the ghost problem of Lanczos methods, leading to a much better convergence of the spectral weights and poles. We present results for the dynamic spin structure factor of the spin-1/2 antiferromagnetic Heisenberg chain. A comparison to Bethe ansatz results in the thermodynamic limit reveals that the MPS-based Lanczos approach is much more accurate than earlier approaches at minor additional numerical cost.

Optimal design of the rotor geometry of line-start permanent magnet synchronous motor using the bat algorithm

NASA Astrophysics Data System (ADS)

Knypiński, Łukasz

2017-12-01

In this paper an algorithm for the optimization of excitation system of line-start permanent magnet synchronous motors will be presented. For the basis of this algorithm, software was developed in the Borland Delphi environment. The software consists of two independent modules: an optimization solver, and a module including the mathematical model of a synchronous motor with a self-start ability. The optimization module contains the bat algorithm procedure. The mathematical model of the motor has been developed in an Ansys Maxwell environment. In order to determine the functional parameters of the motor, additional scripts in Visual Basic language were developed. Selected results of the optimization calculation are presented and compared with results for the particle swarm optimization algorithm.

An efficient algorithm for automatic phase correction of NMR spectra based on entropy minimization

NASA Astrophysics Data System (ADS)

Chen, Li; Weng, Zhiqiang; Goh, LaiYoong; Garland, Marc

2002-09-01

A new algorithm for automatic phase correction of NMR spectra based on entropy minimization is proposed. The optimal zero-order and first-order phase corrections for a NMR spectrum are determined by minimizing entropy. The objective function is constructed using a Shannon-type information entropy measure. Entropy is defined as the normalized derivative of the NMR spectral data. The algorithm has been successfully applied to experimental 1H NMR spectra. The results of automatic phase correction are found to be comparable to, or perhaps better than, manual phase correction. The advantages of this automatic phase correction algorithm include its simple mathematical basis and the straightforward, reproducible, and efficient optimization procedure. The algorithm is implemented in the Matlab program ACME—Automated phase Correction based on Minimization of Entropy.

Semi-blind sparse image reconstruction with application to MRFM.

PubMed

Park, Se Un; Dobigeon, Nicolas; Hero, Alfred O

2012-09-01

We propose a solution to the image deconvolution problem where the convolution kernel or point spread function (PSF) is assumed to be only partially known. Small perturbations generated from the model are exploited to produce a few principal components explaining the PSF uncertainty in a high-dimensional space. Unlike recent developments on blind deconvolution of natural images, we assume the image is sparse in the pixel basis, a natural sparsity arising in magnetic resonance force microscopy (MRFM). Our approach adopts a Bayesian Metropolis-within-Gibbs sampling framework. The performance of our Bayesian semi-blind algorithm for sparse images is superior to previously proposed semi-blind algorithms such as the alternating minimization algorithm and blind algorithms developed for natural images. We illustrate our myopic algorithm on real MRFM tobacco virus data.

Quantum and electromagnetic propagation with the conjugate symmetric Lanczos method.

PubMed

Acevedo, Ramiro; Lombardini, Richard; Turner, Matthew A; Kinsey, James L; Johnson, Bruce R

2008-02-14

The conjugate symmetric Lanczos (CSL) method is introduced for the solution of the time-dependent Schrodinger equation. This remarkably simple and efficient time-domain algorithm is a low-order polynomial expansion of the quantum propagator for time-independent Hamiltonians and derives from the time-reversal symmetry of the Schrodinger equation. The CSL algorithm gives forward solutions by simply complex conjugating backward polynomial expansion coefficients. Interestingly, the expansion coefficients are the same for each uniform time step, a fact that is only spoiled by basis incompleteness and finite precision. This is true for the Krylov basis and, with further investigation, is also found to be true for the Lanczos basis, important for efficient orthogonal projection-based algorithms. The CSL method errors roughly track those of the short iterative Lanczos method while requiring fewer matrix-vector products than the Chebyshev method. With the CSL method, only a few vectors need to be stored at a time, there is no need to estimate the Hamiltonian spectral range, and only matrix-vector and vector-vector products are required. Applications using localized wavelet bases are made to harmonic oscillator and anharmonic Morse oscillator systems as well as electrodynamic pulse propagation using the Hamiltonian form of Maxwell's equations. For gold with a Drude dielectric function, the latter is non-Hermitian, requiring consideration of corrections to the CSL algorithm.

Time-oriented hierarchical method for computation of principal components using subspace learning algorithm.

PubMed

Jankovic, Marko; Ogawa, Hidemitsu

2004-10-01

Principal Component Analysis (PCA) and Principal Subspace Analysis (PSA) are classic techniques in statistical data analysis, feature extraction and data compression. Given a set of multivariate measurements, PCA and PSA provide a smaller set of "basis vectors" with less redundancy, and a subspace spanned by them, respectively. Artificial neurons and neural networks have been shown to perform PSA and PCA when gradient ascent (descent) learning rules are used, which is related to the constrained maximization (minimization) of statistical objective functions. Due to their low complexity, such algorithms and their implementation in neural networks are potentially useful in cases of tracking slow changes of correlations in the input data or in updating eigenvectors with new samples. In this paper we propose PCA learning algorithm that is fully homogeneous with respect to neurons. The algorithm is obtained by modification of one of the most famous PSA learning algorithms--Subspace Learning Algorithm (SLA). Modification of the algorithm is based on Time-Oriented Hierarchical Method (TOHM). The method uses two distinct time scales. On a faster time scale PSA algorithm is responsible for the "behavior" of all output neurons. On a slower scale, output neurons will compete for fulfillment of their "own interests". On this scale, basis vectors in the principal subspace are rotated toward the principal eigenvectors. At the end of the paper it will be briefly analyzed how (or why) time-oriented hierarchical method can be used for transformation of any of the existing neural network PSA method, into PCA method.

Matrix elements of explicitly correlated Gaussian basis functions with arbitrary angular momentum

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

Joyce, Tennesse; Varga, Kálmán

2016-05-14

A new algorithm for calculating the Hamiltonian matrix elements with all-electron explicitly correlated Gaussian functions for quantum-mechanical calculations of atoms with arbitrary angular momentum is presented. The calculations are checked on several excited states of three and four electron systems. The presented formalism can be used as unified framework for high accuracy calculations of properties of small atoms and molecules.

Optimal color coding for compression of true color images

NASA Astrophysics Data System (ADS)

Musatenko, Yurij S.; Kurashov, Vitalij N.

1998-11-01

In the paper we present the method that improves lossy compression of the true color or other multispectral images. The essence of the method is to project initial color planes into Karhunen-Loeve (KL) basis that gives completely decorrelated representation for the image and to compress basis functions instead of the planes. To do that the new fast algorithm of true KL basis construction with low memory consumption is suggested and our recently proposed scheme for finding optimal losses of Kl functions while compression is used. Compare to standard JPEG compression of the CMYK images the method provides the PSNR gain from 0.2 to 2 dB for the convenient compression ratios. Experimental results are obtained for high resolution CMYK images. It is demonstrated that presented scheme could work on common hardware.

Solution of Thermoelectricity Problems Energy Method

NASA Astrophysics Data System (ADS)

Niyazbek, Muheyat; Nogaybaeva, M. O.; Talp, Kuenssaule; Kudaikulov, A. A.

2018-06-01

On the basis of the fundamental laws of conservation of energy in conjunction with local quadratic spline functions was developed a universal computing algorithm, a method and associated software, which allows to investigate the Thermophysical insulated rod, with limited length, influenced by local heat flow, heat transfer and temperature

Blind compressive sensing dynamic MRI

PubMed Central

Lingala, Sajan Goud; Jacob, Mathews

2013-01-01

We propose a novel blind compressive sensing (BCS) frame work to recover dynamic magnetic resonance images from undersampled measurements. This scheme models the dynamic signal as a sparse linear combination of temporal basis functions, chosen from a large dictionary. In contrast to classical compressed sensing, the BCS scheme simultaneously estimates the dictionary and the sparse coefficients from the undersampled measurements. Apart from the sparsity of the coefficients, the key difference of the BCS scheme with current low rank methods is the non-orthogonal nature of the dictionary basis functions. Since the number of degrees of freedom of the BCS model is smaller than that of the low-rank methods, it provides improved reconstructions at high acceleration rates. We formulate the reconstruction as a constrained optimization problem; the objective function is the linear combination of a data consistency term and sparsity promoting ℓ1 prior of the coefficients. The Frobenius norm dictionary constraint is used to avoid scale ambiguity. We introduce a simple and efficient majorize-minimize algorithm, which decouples the original criterion into three simpler sub problems. An alternating minimization strategy is used, where we cycle through the minimization of three simpler problems. This algorithm is seen to be considerably faster than approaches that alternates between sparse coding and dictionary estimation, as well as the extension of K-SVD dictionary learning scheme. The use of the ℓ1 penalty and Frobenius norm dictionary constraint enables the attenuation of insignificant basis functions compared to the ℓ0 norm and column norm constraint assumed in most dictionary learning algorithms; this is especially important since the number of basis functions that can be reliably estimated is restricted by the available measurements. We also observe that the proposed scheme is more robust to local minima compared to K-SVD method, which relies on greedy sparse coding. Our phase transition experiments demonstrate that the BCS scheme provides much better recovery rates than classical Fourier-based CS schemes, while being only marginally worse than the dictionary aware setting. Since the overhead in additionally estimating the dictionary is low, this method can be very useful in dynamic MRI applications, where the signal is not sparse in known dictionaries. We demonstrate the utility of the BCS scheme in accelerating contrast enhanced dynamic data. We observe superior reconstruction performance with the BCS scheme in comparison to existing low rank and compressed sensing schemes. PMID:23542951

System identification of an unmanned quadcopter system using MRAN neural

NASA Astrophysics Data System (ADS)

Pairan, M. F.; Shamsudin, S. S.

2017-12-01

This project presents the performance analysis of the radial basis function neural network (RBF) trained with Minimal Resource Allocating Network (MRAN) algorithm for real-time identification of quadcopter. MRAN’s performance is compared with the RBF with Constant Trace algorithm for 2500 input-output pair data sampling. MRAN utilizes adding and pruning hidden neuron strategy to obtain optimum RBF structure, increase prediction accuracy and reduce training time. The results indicate that MRAN algorithm produces fast training time and more accurate prediction compared with standard RBF. The model proposed in this paper is capable of identifying and modelling a nonlinear representation of the quadcopter flight dynamics.

Computing single step operators of logic programming in radial basis function neural networks

NASA Astrophysics Data System (ADS)

Hamadneh, Nawaf; Sathasivam, Saratha; Choon, Ong Hong

2014-07-01

Logic programming is the process that leads from an original formulation of a computing problem to executable programs. A normal logic program consists of a finite set of clauses. A valuation I of logic programming is a mapping from ground atoms to false or true. The single step operator of any logic programming is defined as a function (Tp:I→I). Logic programming is well-suited to building the artificial intelligence systems. In this study, we established a new technique to compute the single step operators of logic programming in the radial basis function neural networks. To do that, we proposed a new technique to generate the training data sets of single step operators. The training data sets are used to build the neural networks. We used the recurrent radial basis function neural networks to get to the steady state (the fixed point of the operators). To improve the performance of the neural networks, we used the particle swarm optimization algorithm to train the networks.

On the theoretical link between LLL-reduction and Lambda-decorrelation

NASA Astrophysics Data System (ADS)

Lannes, A.

2013-04-01

The LLL algorithm, introduced by Lenstra et al. (Math Ann 261:515-534, 1982), plays a key role in many fields of applied mathematics. In particular, it is used as an effective numerical tool for preconditioning the integer least-squares problems arising in high-precision geodetic positioning and Global Navigation Satellite Systems (GNSS). In 1992, Teunissen developed a method for solving these nearest-lattice point (NLP) problems. This method is referred to as Lambda (for Least-squares AMBiguity Decorrelation Adjustment). The preconditioning stage of Lambda corresponds to its decorrelation algorithm. From an epistemological point of view, the latter was devised through an innovative statistical approach completely independent of the LLL algorithm. Recent papers pointed out some similarities between the LLL algorithm and the Lambda-decorrelation algorithm. We try to clarify this point in the paper. We first introduce a parameter measuring the orthogonality defect of the integer basis in which the NLP problem is solved, the LLL-reduced basis of the LLL algorithm, or the Λ -basis of the Lambda method. With regard to this problem, the potential qualities of these bases can then be compared. The Λ -basis is built by working at the level of the variance-covariance matrix of the float solution, while the LLL-reduced basis is built by working at the level of its inverse. As a general rule, the orthogonality defect of the Λ -basis is greater than that of the corresponding LLL-reduced basis; these bases are however very close to one another. To specify this tight relationship, we present a method that provides the dual LLL-reduced basis of a given Λ -basis. As a consequence of this basic link, all the recent developments made on the LLL algorithm can be applied to the Lambda-decorrelation algorithm. This point is illustrated in a concrete manner: we present a parallel Λ -type decorrelation algorithm derived from the parallel LLL algorithm of Luo and Qiao (Proceedings of the fourth international C^* conference on computer science and software engineering. ACM Int Conf P Series. ACM Press, pp 93-101, 2012).

Level 2 Ancillary Products and Datasets Algorithm Theoretical Basis

NASA Technical Reports Server (NTRS)

Diner, D.; Abdou, W.; Gordon, H.; Kahn, R.; Knyazikhin, Y.; Martonchik, J.; McDonald, D.; McMuldroch, S.; Myneni, R.; West, R.

1999-01-01

This Algorithm Theoretical Basis (ATB) document describes the algorithms used to generate the parameters of certain ancillary products and datasets used during Level 2 processing of Multi-angle Imaging SpectroRadiometer (MIST) data.

Jacobi spectral Galerkin method for elliptic Neumann problems

NASA Astrophysics Data System (ADS)

Doha, E.; Bhrawy, A.; Abd-Elhameed, W.

2009-01-01

This paper is concerned with fast spectral-Galerkin Jacobi algorithms for solving one- and two-dimensional elliptic equations with homogeneous and nonhomogeneous Neumann boundary conditions. The paper extends the algorithms proposed by Shen (SIAM J Sci Comput 15:1489-1505, 1994) and Auteri et al. (J Comput Phys 185:427-444, 2003), based on Legendre polynomials, to Jacobi polynomials with arbitrary α and β. The key to the efficiency of our algorithms is to construct appropriate basis functions with zero slope at the endpoints, which lead to systems with sparse matrices for the discrete variational formulations. The direct solution algorithm developed for the homogeneous Neumann problem in two-dimensions relies upon a tensor product process. Nonhomogeneous Neumann data are accounted for by means of a lifting. Numerical results indicating the high accuracy and effectiveness of these algorithms are presented.

An integral conservative gridding--algorithm using Hermitian curve interpolation.

PubMed

Volken, Werner; Frei, Daniel; Manser, Peter; Mini, Roberto; Born, Ernst J; Fix, Michael K

2008-11-07

The problem of re-sampling spatially distributed data organized into regular or irregular grids to finer or coarser resolution is a common task in data processing. This procedure is known as 'gridding' or 're-binning'. Depending on the quantity the data represents, the gridding-algorithm has to meet different requirements. For example, histogrammed physical quantities such as mass or energy have to be re-binned in order to conserve the overall integral. Moreover, if the quantity is positive definite, negative sampling values should be avoided. The gridding process requires a re-distribution of the original data set to a user-requested grid according to a distribution function. The distribution function can be determined on the basis of the given data by interpolation methods. In general, accurate interpolation with respect to multiple boundary conditions of heavily fluctuating data requires polynomial interpolation functions of second or even higher order. However, this may result in unrealistic deviations (overshoots or undershoots) of the interpolation function from the data. Accordingly, the re-sampled data may overestimate or underestimate the given data by a significant amount. The gridding-algorithm presented in this work was developed in order to overcome these problems. Instead of a straightforward interpolation of the given data using high-order polynomials, a parametrized Hermitian interpolation curve was used to approximate the integrated data set. A single parameter is determined by which the user can control the behavior of the interpolation function, i.e. the amount of overshoot and undershoot. Furthermore, it is shown how the algorithm can be extended to multidimensional grids. The algorithm was compared to commonly used gridding-algorithms using linear and cubic interpolation functions. It is shown that such interpolation functions may overestimate or underestimate the source data by about 10-20%, while the new algorithm can be tuned to significantly reduce these interpolation errors. The accuracy of the new algorithm was tested on a series of x-ray CT-images (head and neck, lung, pelvis). The new algorithm significantly improves the accuracy of the sampled images in terms of the mean square error and a quality index introduced by Wang and Bovik (2002 IEEE Signal Process. Lett. 9 81-4).

Calculation of electrostatic fields in periodic structures of complex shape

NASA Technical Reports Server (NTRS)

Kravchenko, V. F.

1978-01-01

A universal algorithm is presented for calculating electrostatic fields in an infinite periodic structure consisting of electrodes of arbitrary shape which are located in mirror-symmetrical manner along the axis of electron-beam propagation. The method is based on the theory of R-functions, and the differential operators which are derived on the basis of the functions. Numerical results are presented and the accuracy of the results is examined.

Quick fuzzy backpropagation algorithm.

PubMed

Nikov, A; Stoeva, S

2001-03-01

A modification of the fuzzy backpropagation (FBP) algorithm called QuickFBP algorithm is proposed, where the computation of the net function is significantly quicker. It is proved that the FBP algorithm is of exponential time complexity, while the QuickFBP algorithm is of polynomial time complexity. Convergence conditions of the QuickFBP, resp. the FBP algorithm are defined and proved for: (1) single output neural networks in case of training patterns with different targets; and (2) multiple output neural networks in case of training patterns with equivalued target vector. They support the automation of the weights training process (quasi-unsupervised learning) establishing the target value(s) depending on the network's input values. In these cases the simulation results confirm the convergence of both algorithms. An example with a large-sized neural network illustrates the significantly greater training speed of the QuickFBP rather than the FBP algorithm. The adaptation of an interactive web system to users on the basis of the QuickFBP algorithm is presented. Since the QuickFBP algorithm ensures quasi-unsupervised learning, this implies its broad applicability in areas of adaptive and adaptable interactive systems, data mining, etc. applications.

Prediction of forced expiratory volume in pulmonary function test using radial basis neural networks and k-means clustering.

PubMed

Manoharan, Sujatha C; Ramakrishnan, Swaminathan

2009-10-01

In this work, prediction of forced expiratory volume in pulmonary function test, carried out using spirometry and neural networks is presented. The pulmonary function data were recorded from volunteers using commercial available flow volume spirometer in standard acquisition protocol. The Radial Basis Function neural networks were used to predict forced expiratory volume in 1 s (FEV1) from the recorded flow volume curves. The optimal centres of the hidden layer of radial basis function were determined by k-means clustering algorithm. The performance of the neural network model was evaluated by computing their prediction error statistics of average value, standard deviation, root mean square and their correlation with the true data for normal, restrictive and obstructive cases. Results show that the adopted neural networks are capable of predicting FEV1 in both normal and abnormal cases. Prediction accuracy was more in obstructive abnormality when compared to restrictive cases. It appears that this method of assessment is useful in diagnosing the pulmonary abnormalities with incomplete data and data with poor recording.

The explicit computation of integration algorithms and first integrals for ordinary differential equations with polynomials coefficients using trees

NASA Technical Reports Server (NTRS)

Crouch, P. E.; Grossman, Robert

1992-01-01

This note is concerned with the explicit symbolic computation of expressions involving differential operators and their actions on functions. The derivation of specialized numerical algorithms, the explicit symbolic computation of integrals of motion, and the explicit computation of normal forms for nonlinear systems all require such computations. More precisely, if R = k(x(sub 1),...,x(sub N)), where k = R or C, F denotes a differential operator with coefficients from R, and g member of R, we describe data structures and algorithms for efficiently computing g. The basic idea is to impose a multiplicative structure on the vector space with basis the set of finite rooted trees and whose nodes are labeled with the coefficients of the differential operators. Cancellations of two trees with r + 1 nodes translates into cancellation of O(N(exp r)) expressions involving the coefficient functions and their derivatives.

Linear Scaling Density Functional Calculations with Gaussian Orbitals

NASA Technical Reports Server (NTRS)

Scuseria, Gustavo E.

1999-01-01

Recent advances in linear scaling algorithms that circumvent the computational bottlenecks of large-scale electronic structure simulations make it possible to carry out density functional calculations with Gaussian orbitals on molecules containing more than 1000 atoms and 15000 basis functions using current workstations and personal computers. This paper discusses the recent theoretical developments that have led to these advances and demonstrates in a series of benchmark calculations the present capabilities of state-of-the-art computational quantum chemistry programs for the prediction of molecular structure and properties.

Improved hybrid algorithm with Gaussian basis sets and plane waves: First-principles calculations of ethylene adsorption on β-SiC(001)-(3×2)

NASA Astrophysics Data System (ADS)

Wieferink, Jürgen; Krüger, Peter; Pollmann, Johannes

2006-11-01

We present an algorithm for DFT calculations employing Gaussian basis sets for the wave function and a Fourier basis for the potential representation. In particular, a numerically very efficient calculation of the local potential matrix elements and the charge density is described. Special emphasis is placed on the consequences of periodicity and explicit k -vector dependence. The algorithm is tested by comparison with more straightforward ones for the case of adsorption of ethylene on the silicon-rich SiC(001)-(3×2) surface clearly revealing its substantial advantages. A complete self-consistency cycle is speeded up by roughly one order of magnitude since the calculation of matrix elements and of the charge density are accelerated by factors of 10 and 80, respectively, as compared to their straightforward calculation. Our results for C2H4:SiC(001)-(3×2) show that ethylene molecules preferentially adsorb in on-top positions above Si dimers on the substrate surface saturating both dimer dangling bonds per unit cell. In addition, a twist of the molecules around a surface-perpendicular axis is slightly favored energetically similar to the case of a complete monolayer of ethylene adsorbed on the Si(001)-(2×1) surface.

Adaptivity and smart algorithms for fluid-structure interaction

NASA Technical Reports Server (NTRS)

Oden, J. Tinsley

1990-01-01

This paper reviews new approaches in CFD which have the potential for significantly increasing current capabilities of modeling complex flow phenomena and of treating difficult problems in fluid-structure interaction. These approaches are based on the notions of adaptive methods and smart algorithms, which use instantaneous measures of the quality and other features of the numerical flowfields as a basis for making changes in the structure of the computational grid and of algorithms designed to function on the grid. The application of these new techniques to several problem classes are addressed, including problems with moving boundaries, fluid-structure interaction in high-speed turbine flows, flow in domains with receding boundaries, and related problems.

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

PubMed

Baker, Jon; Wolinski, Krzysztof

2011-11-30

We present details of our efficient implementation of full accuracy unrestricted open-shell second-order canonical Møller-Plesset (MP2) energies, both serial and parallel. The algorithm is based on our previous restricted closed-shell MP2 code using the Saebo-Almlöf direct integral transformation. Depending on system details, UMP2 energies take from less than 1.5 to about 3.0 times as long as a closed-shell RMP2 energy on a similar system using the same algorithm. Several examples are given including timings for some large stable radicals with 90+ atoms and over 3600 basis functions. Copyright © 2011 Wiley Periodicals, Inc.

Features of Discontinuous Galerkin Algorithms in Gkeyll, and Exponentially-Weighted Basis Functions

NASA Astrophysics Data System (ADS)

Hammett, G. W.; Hakim, A.; Shi, E. L.

2016-10-01

There are various versions of Discontinuous Galerkin (DG) algorithms that have interesting features that could help with challenging problems of higher-dimensional kinetic problems (such as edge turbulence in tokamaks and stellarators). We are developing the gyrokinetic code Gkeyll based on DG methods. Higher-order methods do more FLOPS to extract more information per byte, thus reducing memory and communication costs (which are a bottleneck for exascale computing). The inner product norm can be chosen to preserve energy conservation with non-polynomial basis functions (such as Maxwellian-weighted bases), which alternatively can be viewed as a Petrov-Galerkin method. This allows a full- F code to benefit from similar Gaussian quadrature employed in popular δf continuum gyrokinetic codes. We show some tests for a 1D Spitzer-Härm heat flux problem, which requires good resolution for the tail. For two velocity dimensions, this approach could lead to a factor of 10 or more speedup. Supported by the Max-Planck/Princeton Center for Plasma Physics, the SciDAC Center for the Study of Plasma Microturbulence, and DOE Contract DE-AC02-09CH11466.

Predicting the random drift of MEMS gyroscope based on K-means clustering and OLS RBF Neural Network

NASA Astrophysics Data System (ADS)

Wang, Zhen-yu; Zhang, Li-jie

2017-10-01

Measure error of the sensor can be effectively compensated with prediction. Aiming at large random drift error of MEMS(Micro Electro Mechanical System))gyroscope, an improved learning algorithm of Radial Basis Function(RBF) Neural Network(NN) based on K-means clustering and Orthogonal Least-Squares (OLS) is proposed in this paper. The algorithm selects the typical samples as the initial cluster centers of RBF NN firstly, candidates centers with K-means algorithm secondly, and optimizes the candidate centers with OLS algorithm thirdly, which makes the network structure simpler and makes the prediction performance better. Experimental results show that the proposed K-means clustering OLS learning algorithm can predict the random drift of MEMS gyroscope effectively, the prediction error of which is 9.8019e-007°/s and the prediction time of which is 2.4169e-006s

Improved wavelet packet classification algorithm for vibrational intrusions in distributed fiber-optic monitoring systems

NASA Astrophysics Data System (ADS)

Wang, Bingjie; Pi, Shaohua; Sun, Qi; Jia, Bo

2015-05-01

An improved classification algorithm that considers multiscale wavelet packet Shannon entropy is proposed. Decomposition coefficients at all levels are obtained to build the initial Shannon entropy feature vector. After subtracting the Shannon entropy map of the background signal, components of the strongest discriminating power in the initial feature vector are picked out to rebuild the Shannon entropy feature vector, which is transferred to radial basis function (RBF) neural network for classification. Four types of man-made vibrational intrusion signals are recorded based on a modified Sagnac interferometer. The performance of the improved classification algorithm has been evaluated by the classification experiments via RBF neural network under different diffusion coefficients. An 85% classification accuracy rate is achieved, which is higher than the other common algorithms. The classification results show that this improved classification algorithm can be used to classify vibrational intrusion signals in an automatic real-time monitoring system.

Low-complexity camera digital signal imaging for video document projection system

NASA Astrophysics Data System (ADS)

Hsia, Shih-Chang; Tsai, Po-Shien

2011-04-01

We present high-performance and low-complexity algorithms for real-time camera imaging applications. The main functions of the proposed camera digital signal processing (DSP) involve color interpolation, white balance, adaptive binary processing, auto gain control, and edge and color enhancement for video projection systems. A series of simulations demonstrate that the proposed method can achieve good image quality while keeping computation cost and memory requirements low. On the basis of the proposed algorithms, the cost-effective hardware core is developed using Verilog HDL. The prototype chip has been verified with one low-cost programmable device. The real-time camera system can achieve 1270 × 792 resolution with the combination of extra components and can demonstrate each DSP function.

A new optimized GA-RBF neural network algorithm.

PubMed

Jia, Weikuan; Zhao, Dean; Shen, Tian; Su, Chunyang; Hu, Chanli; Zhao, Yuyan

2014-01-01

When confronting the complex problems, radial basis function (RBF) neural network has the advantages of adaptive and self-learning ability, but it is difficult to determine the number of hidden layer neurons, and the weights learning ability from hidden layer to the output layer is low; these deficiencies easily lead to decreasing learning ability and recognition precision. Aiming at this problem, we propose a new optimized RBF neural network algorithm based on genetic algorithm (GA-RBF algorithm), which uses genetic algorithm to optimize the weights and structure of RBF neural network; it chooses new ways of hybrid encoding and optimizing simultaneously. Using the binary encoding encodes the number of the hidden layer's neurons and using real encoding encodes the connection weights. Hidden layer neurons number and connection weights are optimized simultaneously in the new algorithm. However, the connection weights optimization is not complete; we need to use least mean square (LMS) algorithm for further leaning, and finally get a new algorithm model. Using two UCI standard data sets to test the new algorithm, the results show that the new algorithm improves the operating efficiency in dealing with complex problems and also improves the recognition precision, which proves that the new algorithm is valid.

Adaptive critic autopilot design of bank-to-turn missiles using fuzzy basis function networks.

PubMed

Lin, Chuan-Kai

2005-04-01

A new adaptive critic autopilot design for bank-to-turn missiles is presented. In this paper, the architecture of adaptive critic learning scheme contains a fuzzy-basis-function-network based associative search element (ASE), which is employed to approximate nonlinear and complex functions of bank-to-turn missiles, and an adaptive critic element (ACE) generating the reinforcement signal to tune the associative search element. In the design of the adaptive critic autopilot, the control law receives signals from a fixed gain controller, an ASE and an adaptive robust element, which can eliminate approximation errors and disturbances. Traditional adaptive critic reinforcement learning is the problem faced by an agent that must learn behavior through trial-and-error interactions with a dynamic environment, however, the proposed tuning algorithm can significantly shorten the learning time by online tuning all parameters of fuzzy basis functions and weights of ASE and ACE. Moreover, the weight updating law derived from the Lyapunov stability theory is capable of guaranteeing both tracking performance and stability. Computer simulation results confirm the effectiveness of the proposed adaptive critic autopilot.

An Application of Gröbner Basis in Differential Equations of Physics

NASA Astrophysics Data System (ADS)

Chaharbashloo, Mohammad Saleh; Basiri, Abdolali; Rahmany, Sajjad; Zarrinkamar, Saber

2013-11-01

We apply the Gröbner basis to the ansatz method in quantum mechanics to obtain the energy eigenvalues and the wave functions in a very simple manner. There are important physical potentials such as the Cornell interaction which play significant roles in particle physics and can be treated via this technique. As a typical example, the algorithm is applied to the semi-relativistic spinless Salpeter equation under the Cornell interaction. Many other applications of the idea in a wide range of physical fields are listed as well.

Reduced Order Model Basis Vector Generation: Generates Basis Vectors fro ROMs

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

Arrighi, Bill

2016-03-03

libROM is a library that implements order reduction via singular value decomposition (SVD) of sampled state vectors. It implements 2 parallel, incremental SVD algorithms and one serial, non-incremental algorithm. It also provides a mechanism for adaptive sampling of basis vectors.

Hamiltonian lattice field theory: Computer calculations using variational methods

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

Zako, Robert L.

1991-12-03

I develop a variational method for systematic numerical computation of physical quantities -- bound state energies and scattering amplitudes -- in quantum field theory. An infinite-volume, continuum theory is approximated by a theory on a finite spatial lattice, which is amenable to numerical computation. I present an algorithm for computing approximate energy eigenvalues and eigenstates in the lattice theory and for bounding the resulting errors. I also show how to select basis states and choose variational parameters in order to minimize errors. The algorithm is based on the Rayleigh-Ritz principle and Kato`s generalizations of Temple`s formula. The algorithm could bemore » adapted to systems such as atoms and molecules. I show how to compute Green`s functions from energy eigenvalues and eigenstates in the lattice theory, and relate these to physical (renormalized) coupling constants, bound state energies and Green`s functions. Thus one can compute approximate physical quantities in a lattice theory that approximates a quantum field theory with specified physical coupling constants. I discuss the errors in both approximations. In principle, the errors can be made arbitrarily small by increasing the size of the lattice, decreasing the lattice spacing and computing sufficiently long. Unfortunately, I do not understand the infinite-volume and continuum limits well enough to quantify errors due to the lattice approximation. Thus the method is currently incomplete. I apply the method to real scalar field theories using a Fock basis of free particle states. All needed quantities can be calculated efficiently with this basis. The generalization to more complicated theories is straightforward. I describe a computer implementation of the method and present numerical results for simple quantum mechanical systems.« less

Beyond maximum entropy: Fractal Pixon-based image reconstruction

NASA Technical Reports Server (NTRS)

Puetter, Richard C.; Pina, R. K.

1994-01-01

We have developed a new Bayesian image reconstruction method that has been shown to be superior to the best implementations of other competing methods, including Goodness-of-Fit methods such as Least-Squares fitting and Lucy-Richardson reconstruction, as well as Maximum Entropy (ME) methods such as those embodied in the MEMSYS algorithms. Our new method is based on the concept of the pixon, the fundamental, indivisible unit of picture information. Use of the pixon concept provides an improved image model, resulting in an image prior which is superior to that of standard ME. Our past work has shown how uniform information content pixons can be used to develop a 'Super-ME' method in which entropy is maximized exactly. Recently, however, we have developed a superior pixon basis for the image, the Fractal Pixon Basis (FPB). Unlike the Uniform Pixon Basis (UPB) of our 'Super-ME' method, the FPB basis is selected by employing fractal dimensional concepts to assess the inherent structure in the image. The Fractal Pixon Basis results in the best image reconstructions to date, superior to both UPB and the best ME reconstructions. In this paper, we review the theory of the UPB and FPB pixon and apply our methodology to the reconstruction of far-infrared imaging of the galaxy M51. The results of our reconstruction are compared to published reconstructions of the same data using the Lucy-Richardson algorithm, the Maximum Correlation Method developed at IPAC, and the MEMSYS ME algorithms. The results show that our reconstructed image has a spatial resolution a factor of two better than best previous methods (and a factor of 20 finer than the width of the point response function), and detects sources two orders of magnitude fainter than other methods.

New deconvolution method for microscopic images based on the continuous Gaussian radial basis function interpolation model.

PubMed

Chen, Zhaoxue; Chen, Hao

2014-01-01

A deconvolution method based on the Gaussian radial basis function (GRBF) interpolation is proposed. Both the original image and Gaussian point spread function are expressed as the same continuous GRBF model, thus image degradation is simplified as convolution of two continuous Gaussian functions, and image deconvolution is converted to calculate the weighted coefficients of two-dimensional control points. Compared with Wiener filter and Lucy-Richardson algorithm, the GRBF method has an obvious advantage in the quality of restored images. In order to overcome such a defect of long-time computing, the method of graphic processing unit multithreading or increasing space interval of control points is adopted, respectively, to speed up the implementation of GRBF method. The experiments show that based on the continuous GRBF model, the image deconvolution can be efficiently implemented by the method, which also has a considerable reference value for the study of three-dimensional microscopic image deconvolution.

Fast online generalized multiscale finite element method using constraint energy minimization

NASA Astrophysics Data System (ADS)

Chung, Eric T.; Efendiev, Yalchin; Leung, Wing Tat

2018-02-01

Local multiscale methods often construct multiscale basis functions in the offline stage without taking into account input parameters, such as source terms, boundary conditions, and so on. These basis functions are then used in the online stage with a specific input parameter to solve the global problem at a reduced computational cost. Recently, online approaches have been introduced, where multiscale basis functions are adaptively constructed in some regions to reduce the error significantly. In multiscale methods, it is desired to have only 1-2 iterations to reduce the error to a desired threshold. Using Generalized Multiscale Finite Element Framework [10], it was shown that by choosing sufficient number of offline basis functions, the error reduction can be made independent of physical parameters, such as scales and contrast. In this paper, our goal is to improve this. Using our recently proposed approach [4] and special online basis construction in oversampled regions, we show that the error reduction can be made sufficiently large by appropriately selecting oversampling regions. Our numerical results show that one can achieve a three order of magnitude error reduction, which is better than our previous methods. We also develop an adaptive algorithm and enrich in selected regions with large residuals. In our adaptive method, we show that the convergence rate can be determined by a user-defined parameter and we confirm this by numerical simulations. The analysis of the method is presented.

Fast function-on-scalar regression with penalized basis expansions.

PubMed

Reiss, Philip T; Huang, Lei; Mennes, Maarten

2010-01-01

Regression models for functional responses and scalar predictors are often fitted by means of basis functions, with quadratic roughness penalties applied to avoid overfitting. The fitting approach described by Ramsay and Silverman in the 1990 s amounts to a penalized ordinary least squares (P-OLS) estimator of the coefficient functions. We recast this estimator as a generalized ridge regression estimator, and present a penalized generalized least squares (P-GLS) alternative. We describe algorithms by which both estimators can be implemented, with automatic selection of optimal smoothing parameters, in a more computationally efficient manner than has heretofore been available. We discuss pointwise confidence intervals for the coefficient functions, simultaneous inference by permutation tests, and model selection, including a novel notion of pointwise model selection. P-OLS and P-GLS are compared in a simulation study. Our methods are illustrated with an analysis of age effects in a functional magnetic resonance imaging data set, as well as a reanalysis of a now-classic Canadian weather data set. An R package implementing the methods is publicly available.

Curvelet-domain multiple matching method combined with cubic B-spline function

NASA Astrophysics Data System (ADS)

Wang, Tong; Wang, Deli; Tian, Mi; Hu, Bin; Liu, Chengming

2018-05-01

Since the large amount of surface-related multiple existed in the marine data would influence the results of data processing and interpretation seriously, many researchers had attempted to develop effective methods to remove them. The most successful surface-related multiple elimination method was proposed based on data-driven theory. However, the elimination effect was unsatisfactory due to the existence of amplitude and phase errors. Although the subsequent curvelet-domain multiple-primary separation method achieved better results, poor computational efficiency prevented its application. In this paper, we adopt the cubic B-spline function to improve the traditional curvelet multiple matching method. First, select a little number of unknowns as the basis points of the matching coefficient; second, apply the cubic B-spline function on these basis points to reconstruct the matching array; third, build constraint solving equation based on the relationships of predicted multiple, matching coefficients, and actual data; finally, use the BFGS algorithm to iterate and realize the fast-solving sparse constraint of multiple matching algorithm. Moreover, the soft-threshold method is used to make the method perform better. With the cubic B-spline function, the differences between predicted multiple and original data diminish, which results in less processing time to obtain optimal solutions and fewer iterative loops in the solving procedure based on the L1 norm constraint. The applications to synthetic and field-derived data both validate the practicability and validity of the method.

Modeling of mass transfer of Phospholipids in separation process with supercritical CO2 fluid by RBF artificial neural networks

USDA-ARS?s Scientific Manuscript database

An artificial Radial Basis Function (RBF) neural network model was developed for the prediction of mass transfer of the phospholipids from canola meal in supercritical CO2 fluid. The RBF kind of artificial neural networks (ANN) with orthogonal least squares (OLS) learning algorithm were used for mod...

Systematic Benchmarking of Diagnostic Technologies for an Electrical Power System

NASA Technical Reports Server (NTRS)

Kurtoglu, Tolga; Jensen, David; Poll, Scott

2009-01-01

Automated health management is a critical functionality for complex aerospace systems. A wide variety of diagnostic algorithms have been developed to address this technical challenge. Unfortunately, the lack of support to perform large-scale V&V (verification and validation) of diagnostic technologies continues to create barriers to effective development and deployment of such algorithms for aerospace vehicles. In this paper, we describe a formal framework developed for benchmarking of diagnostic technologies. The diagnosed system is the Advanced Diagnostics and Prognostics Testbed (ADAPT), a real-world electrical power system (EPS), developed and maintained at the NASA Ames Research Center. The benchmarking approach provides a systematic, empirical basis to the testing of diagnostic software and is used to provide performance assessment for different diagnostic algorithms.

Bio-Inspired Neural Model for Learning Dynamic Models

NASA Technical Reports Server (NTRS)

Duong, Tuan; Duong, Vu; Suri, Ronald

2009-01-01

A neural-network mathematical model that, relative to prior such models, places greater emphasis on some of the temporal aspects of real neural physical processes, has been proposed as a basis for massively parallel, distributed algorithms that learn dynamic models of possibly complex external processes by means of learning rules that are local in space and time. The algorithms could be made to perform such functions as recognition and prediction of words in speech and of objects depicted in video images. The approach embodied in this model is said to be "hardware-friendly" in the following sense: The algorithms would be amenable to execution by special-purpose computers implemented as very-large-scale integrated (VLSI) circuits that would operate at relatively high speeds and low power demands.

Two-dimensional mesh embedding for Galerkin B-spline methods

NASA Technical Reports Server (NTRS)

Shariff, Karim; Moser, Robert D.

1995-01-01

A number of advantages result from using B-splines as basis functions in a Galerkin method for solving partial differential equations. Among them are arbitrary order of accuracy and high resolution similar to that of compact schemes but without the aliasing error. This work develops another property, namely, the ability to treat semi-structured embedded or zonal meshes for two-dimensional geometries. This can drastically reduce the number of grid points in many applications. Both integer and non-integer refinement ratios are allowed. The report begins by developing an algorithm for choosing basis functions that yield the desired mesh resolution. These functions are suitable products of one-dimensional B-splines. Finally, test cases for linear scalar equations such as the Poisson and advection equation are presented. The scheme is conservative and has uniformly high order of accuracy throughout the domain.

A complex valued radial basis function network for equalization of fast time varying channels.

PubMed

Gan, Q; Saratchandran, P; Sundararajan, N; Subramanian, K R

1999-01-01

This paper presents a complex valued radial basis function (RBF) network for equalization of fast time varying channels. A new method for calculating the centers of the RBF network is given. The method allows fixing the number of RBF centers even as the equalizer order is increased so that a good performance is obtained by a high-order RBF equalizer with small number of centers. Simulations are performed on time varying channels using a Rayleigh fading channel model to compare the performance of our RBF with an adaptive maximum-likelihood sequence estimator (MLSE) consisting of a channel estimator and a MLSE implemented by the Viterbi algorithm. The results show that the RBF equalizer produces superior performance with less computational complexity.

Biological Basis For Computer Vision: Some Perspectives

NASA Astrophysics Data System (ADS)

Gupta, Madan M.

1990-03-01

Using biology as a basis for the development of sensors, devices and computer vision systems is a challenge to systems and vision scientists. It is also a field of promising research for engineering applications. Biological sensory systems, such as vision, touch and hearing, sense different physical phenomena from our environment, yet they possess some common mathematical functions. These mathematical functions are cast into the neural layers which are distributed throughout our sensory regions, sensory information transmission channels and in the cortex, the centre of perception. In this paper, we are concerned with the study of the biological vision system and the emulation of some of its mathematical functions, both retinal and visual cortex, for the development of a robust computer vision system. This field of research is not only intriguing, but offers a great challenge to systems scientists in the development of functional algorithms. These functional algorithms can be generalized for further studies in such fields as signal processing, control systems and image processing. Our studies are heavily dependent on the the use of fuzzy - neural layers and generalized receptive fields. Building blocks of such neural layers and receptive fields may lead to the design of better sensors and better computer vision systems. It is hoped that these studies will lead to the development of better artificial vision systems with various applications to vision prosthesis for the blind, robotic vision, medical imaging, medical sensors, industrial automation, remote sensing, space stations and ocean exploration.

Computing border bases using mutant strategies

NASA Astrophysics Data System (ADS)

Ullah, E.; Abbas Khan, S.

2014-01-01

Border bases, a generalization of Gröbner bases, have actively been addressed during recent years due to their applicability to industrial problems. In cryptography and coding theory a useful application of border based is to solve zero-dimensional systems of polynomial equations over finite fields, which motivates us for developing optimizations of the algorithms that compute border bases. In 2006, Kehrein and Kreuzer formulated the Border Basis Algorithm (BBA), an algorithm which allows the computation of border bases that relate to a degree compatible term ordering. In 2007, J. Ding et al. introduced mutant strategies bases on finding special lower degree polynomials in the ideal. The mutant strategies aim to distinguish special lower degree polynomials (mutants) from the other polynomials and give them priority in the process of generating new polynomials in the ideal. In this paper we develop hybrid algorithms that use the ideas of J. Ding et al. involving the concept of mutants to optimize the Border Basis Algorithm for solving systems of polynomial equations over finite fields. In particular, we recall a version of the Border Basis Algorithm which is actually called the Improved Border Basis Algorithm and propose two hybrid algorithms, called MBBA and IMBBA. The new mutants variants provide us space efficiency as well as time efficiency. The efficiency of these newly developed hybrid algorithms is discussed using standard cryptographic examples.

Machine learning classifier using abnormal brain network topological metrics in major depressive disorder.

PubMed

Guo, Hao; Cao, Xiaohua; Liu, Zhifen; Li, Haifang; Chen, Junjie; Zhang, Kerang

2012-12-05

Resting state functional brain networks have been widely studied in brain disease research. However, it is currently unclear whether abnormal resting state functional brain network metrics can be used with machine learning for the classification of brain diseases. Resting state functional brain networks were constructed for 28 healthy controls and 38 major depressive disorder patients by thresholding partial correlation matrices of 90 regions. Three nodal metrics were calculated using graph theory-based approaches. Nonparametric permutation tests were then used for group comparisons of topological metrics, which were used as classified features in six different algorithms. We used statistical significance as the threshold for selecting features and measured the accuracies of six classifiers with different number of features. A sensitivity analysis method was used to evaluate the importance of different features. The result indicated that some of the regions exhibited significantly abnormal nodal centralities, including the limbic system, basal ganglia, medial temporal, and prefrontal regions. Support vector machine with radial basis kernel function algorithm and neural network algorithm exhibited the highest average accuracy (79.27 and 78.22%, respectively) with 28 features (P<0.05). Correlation analysis between feature importance and the statistical significance of metrics was investigated, and the results revealed a strong positive correlation between them. Overall, the current study demonstrated that major depressive disorder is associated with abnormal functional brain network topological metrics and statistically significant nodal metrics can be successfully used for feature selection in classification algorithms.

Optimal Battery Sizing in Photovoltaic Based Distributed Generation Using Enhanced Opposition-Based Firefly Algorithm for Voltage Rise Mitigation

PubMed Central

Wong, Ling Ai; Shareef, Hussain; Mohamed, Azah; Ibrahim, Ahmad Asrul

2014-01-01

This paper presents the application of enhanced opposition-based firefly algorithm in obtaining the optimal battery energy storage systems (BESS) sizing in photovoltaic generation integrated radial distribution network in order to mitigate the voltage rise problem. Initially, the performance of the original firefly algorithm is enhanced by utilizing the opposition-based learning and introducing inertia weight. After evaluating the performance of the enhanced opposition-based firefly algorithm (EOFA) with fifteen benchmark functions, it is then adopted to determine the optimal size for BESS. Two optimization processes are conducted where the first optimization aims to obtain the optimal battery output power on hourly basis and the second optimization aims to obtain the optimal BESS capacity by considering the state of charge constraint of BESS. The effectiveness of the proposed method is validated by applying the algorithm to the 69-bus distribution system and by comparing the performance of EOFA with conventional firefly algorithm and gravitational search algorithm. Results show that EOFA has the best performance comparatively in terms of mitigating the voltage rise problem. PMID:25054184

Optimal battery sizing in photovoltaic based distributed generation using enhanced opposition-based firefly algorithm for voltage rise mitigation.

PubMed

Wong, Ling Ai; Shareef, Hussain; Mohamed, Azah; Ibrahim, Ahmad Asrul

2014-01-01

This paper presents the application of enhanced opposition-based firefly algorithm in obtaining the optimal battery energy storage systems (BESS) sizing in photovoltaic generation integrated radial distribution network in order to mitigate the voltage rise problem. Initially, the performance of the original firefly algorithm is enhanced by utilizing the opposition-based learning and introducing inertia weight. After evaluating the performance of the enhanced opposition-based firefly algorithm (EOFA) with fifteen benchmark functions, it is then adopted to determine the optimal size for BESS. Two optimization processes are conducted where the first optimization aims to obtain the optimal battery output power on hourly basis and the second optimization aims to obtain the optimal BESS capacity by considering the state of charge constraint of BESS. The effectiveness of the proposed method is validated by applying the algorithm to the 69-bus distribution system and by comparing the performance of EOFA with conventional firefly algorithm and gravitational search algorithm. Results show that EOFA has the best performance comparatively in terms of mitigating the voltage rise problem.

A direct method to transform between expansions in the configuration state function and Slater determinant bases

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

Olsen, Jeppe, E-mail: jeppe@chem.au.dk

2014-07-21

A novel algorithm is introduced for the transformation of wave functions between the bases of Slater determinants (SD) and configuration state functions (CSF) in the genealogical coupling scheme. By modifying the expansion coefficients as each electron is spin-coupled, rather than performing a single many-electron transformation, the large transformation matrix that plagues previous approaches is avoided and the required number of operations is drastically reduced. As an example of the efficiency of the algorithm, the transformation for a configuration with 30 unpaired electrons and singlet spin is discussed. For this case, the 10 × 10{sup 6} coefficients in the CSF basismore » is obtained from the 150 × 10{sup 6} coefficients in the SD basis in 1 min, which should be compared with the seven years that the previously employed method is estimated to require.« less

A flexible ontology for inference of emergent whole cell function from relationships between subcellular processes.

PubMed

Hansen, Jens; Meretzky, David; Woldesenbet, Simeneh; Stolovitzky, Gustavo; Iyengar, Ravi

2017-12-18

Whole cell responses arise from coordinated interactions between diverse human gene products functioning within various pathways underlying sub-cellular processes (SCP). Lower level SCPs interact to form higher level SCPs, often in a context specific manner to give rise to whole cell function. We sought to determine if capturing such relationships enables us to describe the emergence of whole cell functions from interacting SCPs. We developed the Molecular Biology of the Cell Ontology based on standard cell biology and biochemistry textbooks and review articles. Currently, our ontology contains 5,384 genes, 753 SCPs and 19,180 expertly curated gene-SCP associations. Our algorithm to populate the SCPs with genes enables extension of the ontology on demand and the adaption of the ontology to the continuously growing cell biological knowledge. Since whole cell responses most often arise from the coordinated activity of multiple SCPs, we developed a dynamic enrichment algorithm that flexibly predicts SCP-SCP relationships beyond the current taxonomy. This algorithm enables us to identify interactions between SCPs as a basis for higher order function in a context dependent manner, allowing us to provide a detailed description of how SCPs together can give rise to whole cell functions. We conclude that this ontology can, from omics data sets, enable the development of detailed SCP networks for predictive modeling of emergent whole cell functions.

Experimental evaluation and basis function optimization of the spatially variant image-space PSF on the Ingenuity PET/MR scanner

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

Kotasidis, Fotis A., E-mail: Fotis.Kotasidis@unige.ch; Zaidi, Habib; Geneva Neuroscience Centre, Geneva University, CH-1205 Geneva

2014-06-15

Purpose: The Ingenuity time-of-flight (TF) PET/MR is a recently developed hybrid scanner combining the molecular imaging capabilities of PET with the excellent soft tissue contrast of MRI. It is becoming common practice to characterize the system's point spread function (PSF) and understand its variation under spatial transformations to guide clinical studies and potentially use it within resolution recovery image reconstruction algorithms. Furthermore, due to the system's utilization of overlapping and spherical symmetric Kaiser-Bessel basis functions during image reconstruction, its image space PSF and reconstructed spatial resolution could be affected by the selection of the basis function parameters. Hence, a detailedmore » investigation into the multidimensional basis function parameter space is needed to evaluate the impact of these parameters on spatial resolution. Methods: Using an array of 12 × 7 printed point sources, along with a custom made phantom, and with the MR magnet on, the system's spatially variant image-based PSF was characterized in detail. Moreover, basis function parameters were systematically varied during reconstruction (list-mode TF OSEM) to evaluate their impact on the reconstructed resolution and the image space PSF. Following the spatial resolution optimization, phantom, and clinical studies were subsequently reconstructed using representative basis function parameters. Results: Based on the analysis and under standard basis function parameters, the axial and tangential components of the PSF were found to be almost invariant under spatial transformations (∼4 mm) while the radial component varied modestly from 4 to 6.7 mm. Using a systematic investigation into the basis function parameter space, the spatial resolution was found to degrade for basis functions with a large radius and small shape parameter. However, it was found that optimizing the spatial resolution in the reconstructed PET images, while having a good basis function superposition and keeping the image representation error to a minimum, is feasible, with the parameter combination range depending upon the scanner's intrinsic resolution characteristics. Conclusions: Using the printed point source array as a MR compatible methodology for experimentally measuring the scanner's PSF, the system's spatially variant resolution properties were successfully evaluated in image space. Overall the PET subsystem exhibits excellent resolution characteristics mainly due to the fact that the raw data are not under-sampled/rebinned, enabling the spatial resolution to be dictated by the scanner's intrinsic resolution and the image reconstruction parameters. Due to the impact of these parameters on the resolution properties of the reconstructed images, the image space PSF varies both under spatial transformations and due to basis function parameter selection. Nonetheless, for a range of basis function parameters, the image space PSF remains unaffected, with the range depending on the scanner's intrinsic resolution properties.« less

Evolutionary algorithm based heuristic scheme for nonlinear heat transfer equations.

PubMed

Ullah, Azmat; Malik, Suheel Abdullah; Alimgeer, Khurram Saleem

2018-01-01

In this paper, a hybrid heuristic scheme based on two different basis functions i.e. Log Sigmoid and Bernstein Polynomial with unknown parameters is used for solving the nonlinear heat transfer equations efficiently. The proposed technique transforms the given nonlinear ordinary differential equation into an equivalent global error minimization problem. Trial solution for the given nonlinear differential equation is formulated using a fitness function with unknown parameters. The proposed hybrid scheme of Genetic Algorithm (GA) with Interior Point Algorithm (IPA) is opted to solve the minimization problem and to achieve the optimal values of unknown parameters. The effectiveness of the proposed scheme is validated by solving nonlinear heat transfer equations. The results obtained by the proposed scheme are compared and found in sharp agreement with both the exact solution and solution obtained by Haar Wavelet-Quasilinearization technique which witnesses the effectiveness and viability of the suggested scheme. Moreover, the statistical analysis is also conducted for investigating the stability and reliability of the presented scheme.

A clustering-based graph Laplacian framework for value function approximation in reinforcement learning.

PubMed

Xu, Xin; Huang, Zhenhua; Graves, Daniel; Pedrycz, Witold

2014-12-01

In order to deal with the sequential decision problems with large or continuous state spaces, feature representation and function approximation have been a major research topic in reinforcement learning (RL). In this paper, a clustering-based graph Laplacian framework is presented for feature representation and value function approximation (VFA) in RL. By making use of clustering-based techniques, that is, K-means clustering or fuzzy C-means clustering, a graph Laplacian is constructed by subsampling in Markov decision processes (MDPs) with continuous state spaces. The basis functions for VFA can be automatically generated from spectral analysis of the graph Laplacian. The clustering-based graph Laplacian is integrated with a class of approximation policy iteration algorithms called representation policy iteration (RPI) for RL in MDPs with continuous state spaces. Simulation and experimental results show that, compared with previous RPI methods, the proposed approach needs fewer sample points to compute an efficient set of basis functions and the learning control performance can be improved for a variety of parameter settings.

Performance improvements of wavelength-shifting-fiber neutron detectors using high-resolution positioning algorithms

DOE PAGES

Wang, C. L.

2016-05-17

On the basis of FluoroBancroft linear-algebraic method [S.B. Andersson, Opt. Exp. 16, 18714 (2008)] three highly-resolved positioning methods were proposed for wavelength-shifting fiber (WLSF) neutron detectors. Using a Gaussian or exponential-decay light-response function (LRF), the non-linear relation of photon-number profiles vs. x-pixels was linearized and neutron positions were determined. The proposed algorithms give an average 0.03-0.08 pixel position error, much smaller than that (0.29 pixel) from a traditional maximum photon algorithm (MPA). The new algorithms result in better detector uniformity, less position misassignment (ghosting), better spatial resolution, and an equivalent or better instrument resolution in powder diffraction than the MPA.more » Moreover, these characters will facilitate broader applications of WLSF detectors at time-of-flight neutron powder diffraction beamlines, including single-crystal diffraction and texture analysis.« less

GPU Accelerated Browser for Neuroimaging Genomics.

PubMed

Zigon, Bob; Li, Huang; Yao, Xiaohui; Fang, Shiaofen; Hasan, Mohammad Al; Yan, Jingwen; Moore, Jason H; Saykin, Andrew J; Shen, Li

2018-04-25

Neuroimaging genomics is an emerging field that provides exciting opportunities to understand the genetic basis of brain structure and function. The unprecedented scale and complexity of the imaging and genomics data, however, have presented critical computational bottlenecks. In this work we present our initial efforts towards building an interactive visual exploratory system for mining big data in neuroimaging genomics. A GPU accelerated browsing tool for neuroimaging genomics is created that implements the ANOVA algorithm for single nucleotide polymorphism (SNP) based analysis and the VEGAS algorithm for gene-based analysis, and executes them at interactive rates. The ANOVA algorithm is 110 times faster than the 4-core OpenMP version, while the VEGAS algorithm is 375 times faster than its 4-core OpenMP counter part. This approach lays a solid foundation for researchers to address the challenges of mining large-scale imaging genomics datasets via interactive visual exploration.

A statistical framework for evaluating neural networks to predict recurrent events in breast cancer

NASA Astrophysics Data System (ADS)

Gorunescu, Florin; Gorunescu, Marina; El-Darzi, Elia; Gorunescu, Smaranda

2010-07-01

Breast cancer is the second leading cause of cancer deaths in women today. Sometimes, breast cancer can return after primary treatment. A medical diagnosis of recurrent cancer is often a more challenging task than the initial one. In this paper, we investigate the potential contribution of neural networks (NNs) to support health professionals in diagnosing such events. The NN algorithms are tested and applied to two different datasets. An extensive statistical analysis has been performed to verify our experiments. The results show that a simple network structure for both the multi-layer perceptron and radial basis function can produce equally good results, not all attributes are needed to train these algorithms and, finally, the classification performances of all algorithms are statistically robust. Moreover, we have shown that the best performing algorithm will strongly depend on the features of the datasets, and hence, there is not necessarily a single best classifier.

The Automated System of the Rhythm Analysis of the Educational Process in a Higher Educational Institution on the Basis of Aprioristic Data

ERIC Educational Resources Information Center

Pelin, Nicolae; Mironov, Vladimir

2008-01-01

In this article the problems of functioning algorithms development for system of the automated analysis of educational process rhythm in a higher educational institution are considered. Using the device of experiment planning for conducting the scientific researches, adapted methodologies, received by authors in the dissertational works at the…

Design of compactly supported wavelet to match singularities in medical images

NASA Astrophysics Data System (ADS)

Fung, Carrson C.; Shi, Pengcheng

2002-11-01

Analysis and understanding of medical images has important clinical values for patient diagnosis and treatment, as well as technical implications for computer vision and pattern recognition. One of the most fundamental issues is the detection of object boundaries or singularities, which is often the basis for further processes such as organ/tissue recognition, image registration, motion analysis, measurement of anatomical and physiological parameters, etc. The focus of this work involved taking a correlation based approach toward edge detection, by exploiting some of desirable properties of wavelet analysis. This leads to the possibility of constructing a bank of detectors, consisting of multiple wavelet basis functions of different scales which are optimal for specific types of edges, in order to optimally detect all the edges in an image. Our work involved developing a set of wavelet functions which matches the shape of the ramp and pulse edges. The matching algorithm used focuses on matching the edges in the frequency domain. It was proven that this technique could create matching wavelets applicable at all scales. Results have shown that matching wavelets can be obtained for the pulse edge while the ramp edge requires another matching algorithm.

Nonlinear transient analysis by energy minimization: A theoretical basis for the ACTION computer code. [predicting the response of a lightweight aircraft during a crash

NASA Technical Reports Server (NTRS)

Kamat, M. P.

1980-01-01

The formulation basis for establishing the static or dynamic equilibrium configurations of finite element models of structures which may behave in the nonlinear range are provided. With both geometric and time independent material nonlinearities included, the development is restricted to simple one and two dimensional finite elements which are regarded as being the basic elements for modeling full aircraft-like structures under crash conditions. Representations of a rigid link and an impenetrable contact plane are added to the deformation model so that any number of nodes of the finite element model may be connected by a rigid link or may contact the plane. Equilibrium configurations are derived as the stationary conditions of a potential function of the generalized nodal variables of the model. Minimization of the nonlinear potential function is achieved by using the best current variable metric update formula for use in unconstrained minimization. Powell's conjugate gradient algorithm, which offers very low storage requirements at some slight increase in the total number of calculations, is the other alternative algorithm to be used for extremely large scale problems.

Estimation of parameters in Shot-Noise-Driven Doubly Stochastic Poisson processes using the EM algorithm--modeling of pre- and postsynaptic spike trains.

PubMed

Mino, H

2007-01-01

To estimate the parameters, the impulse response (IR) functions of some linear time-invariant systems generating intensity processes, in Shot-Noise-Driven Doubly Stochastic Poisson Process (SND-DSPP) in which multivariate presynaptic spike trains and postsynaptic spike trains can be assumed to be modeled by the SND-DSPPs. An explicit formula for estimating the IR functions from observations of multivariate input processes of the linear systems and the corresponding counting process (output process) is derived utilizing the expectation maximization (EM) algorithm. The validity of the estimation formula was verified through Monte Carlo simulations in which two presynaptic spike trains and one postsynaptic spike train were assumed to be observable. The IR functions estimated on the basis of the proposed identification method were close to the true IR functions. The proposed method will play an important role in identifying the input-output relationship of pre- and postsynaptic neural spike trains in practical situations.

Underwater sonar image detection: A combination of non-local spatial information and quantum-inspired shuffled frog leaping algorithm.

PubMed

Wang, Xingmei; Liu, Shu; Liu, Zhipeng

2017-01-01

This paper proposes a combination of non-local spatial information and quantum-inspired shuffled frog leaping algorithm to detect underwater objects in sonar images. Specifically, for the first time, the problem of inappropriate filtering degree parameter which commonly occurs in non-local spatial information and seriously affects the denoising performance in sonar images, was solved with the method utilizing a novel filtering degree parameter. Then, a quantum-inspired shuffled frog leaping algorithm based on new search mechanism (QSFLA-NSM) is proposed to precisely and quickly detect sonar images. Each frog individual is directly encoded by real numbers, which can greatly simplify the evolution process of the quantum-inspired shuffled frog leaping algorithm (QSFLA). Meanwhile, a fitness function combining intra-class difference with inter-class difference is adopted to evaluate frog positions more accurately. On this basis, recurring to an analysis of the quantum-behaved particle swarm optimization (QPSO) and the shuffled frog leaping algorithm (SFLA), a new search mechanism is developed to improve the searching ability and detection accuracy. At the same time, the time complexity is further reduced. Finally, the results of comparative experiments using the original sonar images, the UCI data sets and the benchmark functions demonstrate the effectiveness and adaptability of the proposed method.

Underwater sonar image detection: A combination of non-local spatial information and quantum-inspired shuffled frog leaping algorithm

PubMed Central

Liu, Zhipeng

2017-01-01

This paper proposes a combination of non-local spatial information and quantum-inspired shuffled frog leaping algorithm to detect underwater objects in sonar images. Specifically, for the first time, the problem of inappropriate filtering degree parameter which commonly occurs in non-local spatial information and seriously affects the denoising performance in sonar images, was solved with the method utilizing a novel filtering degree parameter. Then, a quantum-inspired shuffled frog leaping algorithm based on new search mechanism (QSFLA-NSM) is proposed to precisely and quickly detect sonar images. Each frog individual is directly encoded by real numbers, which can greatly simplify the evolution process of the quantum-inspired shuffled frog leaping algorithm (QSFLA). Meanwhile, a fitness function combining intra-class difference with inter-class difference is adopted to evaluate frog positions more accurately. On this basis, recurring to an analysis of the quantum-behaved particle swarm optimization (QPSO) and the shuffled frog leaping algorithm (SFLA), a new search mechanism is developed to improve the searching ability and detection accuracy. At the same time, the time complexity is further reduced. Finally, the results of comparative experiments using the original sonar images, the UCI data sets and the benchmark functions demonstrate the effectiveness and adaptability of the proposed method. PMID:28542266

Neural network method for lossless two-conductor transmission line equations based on the IELM algorithm

NASA Astrophysics Data System (ADS)

Yang, Yunlei; Hou, Muzhou; Luo, Jianshu; Liu, Taohua

2018-06-01

With the increasing demands for vast amounts of data and high-speed signal transmission, the use of multi-conductor transmission lines is becoming more common. The impact of transmission lines on signal transmission is thus a key issue affecting the performance of high-speed digital systems. To solve the problem of lossless two-conductor transmission line equations (LTTLEs), a neural network model and algorithm are explored in this paper. By selecting the product of two triangular basis functions as the activation function of hidden layer neurons, we can guarantee the separation of time, space, and phase orthogonality. By adding the initial condition to the neural network, an improved extreme learning machine (IELM) algorithm for solving the network weight is obtained. This is different to the traditional method for converting the initial condition into the iterative constraint condition. Calculation software for solving the LTTLEs based on the IELM algorithm is developed. Numerical experiments show that the results are consistent with those of the traditional method. The proposed neural network algorithm can find the terminal voltage of the transmission line and also the voltage of any observation point. It is possible to calculate the value at any given point by using the neural network model to solve the transmission line equation.

Algorithmic transformation of multi-loop master integrals to a canonical basis with CANONICA

NASA Astrophysics Data System (ADS)

Meyer, Christoph

2018-01-01

The integration of differential equations of Feynman integrals can be greatly facilitated by using a canonical basis. This paper presents the Mathematica package CANONICA, which implements a recently developed algorithm to automatize the transformation to a canonical basis. This represents the first publicly available implementation suitable for differential equations depending on multiple scales. In addition to the presentation of the package, this paper extends the description of some aspects of the algorithm, including a proof of the uniqueness of canonical forms up to constant transformations.

Higher Order Bases in a 2D Hybrid BEM/FEM Formulation

NASA Technical Reports Server (NTRS)

Fink, Patrick W.; Wilton, Donald R.

2002-01-01

The advantages of using higher order, interpolatory basis functions are examined in the analysis of transverse electric (TE) plane wave scattering by homogeneous, dielectric cylinders. A boundary-element/finite-element (BEM/FEM) hybrid formulation is employed in which the interior dielectric region is modeled with the vector Helmholtz equation, and a radiation boundary condition is supplied by an Electric Field Integral Equation (EFIE). An efficient method of handling the singular self-term arising in the EFIE is presented. The iterative solution of the partially dense system of equations is obtained using the Quasi-Minimal Residual (QMR) algorithm with an Incomplete LU Threshold (ILUT) preconditioner. Numerical results are shown for the case of an incident wave impinging upon a square dielectric cylinder. The convergence of the solution is shown versus the number of unknowns as a function of the completeness order of the basis functions.

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

Slattery, Stuart R.

In this study we analyze and extend mesh-free algorithms for three-dimensional data transfer problems in partitioned multiphysics simulations. We first provide a direct comparison between a mesh-based weighted residual method using the common-refinement scheme and two mesh-free algorithms leveraging compactly supported radial basis functions: one using a spline interpolation and one using a moving least square reconstruction. Through the comparison we assess both the conservation and accuracy of the data transfer obtained from each of the methods. We do so for a varying set of geometries with and without curvature and sharp features and for functions with and without smoothnessmore » and with varying gradients. Our results show that the mesh-based and mesh-free algorithms are complementary with cases where each was demonstrated to perform better than the other. We then focus on the mesh-free methods by developing a set of algorithms to parallelize them based on sparse linear algebra techniques. This includes a discussion of fast parallel radius searching in point clouds and restructuring the interpolation algorithms to leverage data structures and linear algebra services designed for large distributed computing environments. The scalability of our new algorithms is demonstrated on a leadership class computing facility using a set of basic scaling studies. Finally, these scaling studies show that for problems with reasonable load balance, our new algorithms for both spline interpolation and moving least square reconstruction demonstrate both strong and weak scalability using more than 100,000 MPI processes with billions of degrees of freedom in the data transfer operation.« less

Estimation of State Transition Probabilities: A Neural Network Model

NASA Astrophysics Data System (ADS)

Saito, Hiroshi; Takiyama, Ken; Okada, Masato

2015-12-01

Humans and animals can predict future states on the basis of acquired knowledge. This prediction of the state transition is important for choosing the best action, and the prediction is only possible if the state transition probability has already been learned. However, how our brains learn the state transition probability is unknown. Here, we propose a simple algorithm for estimating the state transition probability by utilizing the state prediction error. We analytically and numerically confirmed that our algorithm is able to learn the probability completely with an appropriate learning rate. Furthermore, our learning rule reproduced experimentally reported psychometric functions and neural activities in the lateral intraparietal area in a decision-making task. Thus, our algorithm might describe the manner in which our brains learn state transition probabilities and predict future states.

Computational model for perception of objects and motions.

PubMed

Yang, WenLu; Zhang, LiQing; Ma, LiBo

2008-06-01

Perception of objects and motions in the visual scene is one of the basic problems in the visual system. There exist 'What' and 'Where' pathways in the superior visual cortex, starting from the simple cells in the primary visual cortex. The former is able to perceive objects such as forms, color, and texture, and the latter perceives 'where', for example, velocity and direction of spatial movement of objects. This paper explores brain-like computational architectures of visual information processing. We propose a visual perceptual model and computational mechanism for training the perceptual model. The computational model is a three-layer network. The first layer is the input layer which is used to receive the stimuli from natural environments. The second layer is designed for representing the internal neural information. The connections between the first layer and the second layer, called the receptive fields of neurons, are self-adaptively learned based on principle of sparse neural representation. To this end, we introduce Kullback-Leibler divergence as the measure of independence between neural responses and derive the learning algorithm based on minimizing the cost function. The proposed algorithm is applied to train the basis functions, namely receptive fields, which are localized, oriented, and bandpassed. The resultant receptive fields of neurons in the second layer have the characteristics resembling that of simple cells in the primary visual cortex. Based on these basis functions, we further construct the third layer for perception of what and where in the superior visual cortex. The proposed model is able to perceive objects and their motions with a high accuracy and strong robustness against additive noise. Computer simulation results in the final section show the feasibility of the proposed perceptual model and high efficiency of the learning algorithm.

On the fusion of tuning parameters of fuzzy rules and neural network

NASA Astrophysics Data System (ADS)

Mamuda, Mamman; Sathasivam, Saratha

2017-08-01

Learning fuzzy rule-based system with neural network can lead to a precise valuable empathy of several problems. Fuzzy logic offers a simple way to reach at a definite conclusion based upon its vague, ambiguous, imprecise, noisy or missing input information. Conventional learning algorithm for tuning parameters of fuzzy rules using training input-output data usually end in a weak firing state, this certainly powers the fuzzy rule and makes it insecure for a multiple-input fuzzy system. In this paper, we introduce a new learning algorithm for tuning the parameters of the fuzzy rules alongside with radial basis function neural network (RBFNN) in training input-output data based on the gradient descent method. By the new learning algorithm, the problem of weak firing using the conventional method was addressed. We illustrated the efficiency of our new learning algorithm by means of numerical examples. MATLAB R2014(a) software was used in simulating our result The result shows that the new learning method has the best advantage of training the fuzzy rules without tempering with the fuzzy rule table which allowed a membership function of the rule to be used more than one time in the fuzzy rule base.

A Temperature Compensation Method for Piezo-Resistive Pressure Sensor Utilizing Chaotic Ions Motion Algorithm Optimized Hybrid Kernel LSSVM.

PubMed

Li, Ji; Hu, Guoqing; Zhou, Yonghong; Zou, Chong; Peng, Wei; Alam Sm, Jahangir

2016-10-14

A piezo-resistive pressure sensor is made of silicon, the nature of which is considerably influenced by ambient temperature. The effect of temperature should be eliminated during the working period in expectation of linear output. To deal with this issue, an approach consists of a hybrid kernel Least Squares Support Vector Machine (LSSVM) optimized by a chaotic ions motion algorithm presented. To achieve the learning and generalization for excellent performance, a hybrid kernel function, constructed by a local kernel as Radial Basis Function (RBF) kernel, and a global kernel as polynomial kernel is incorporated into the Least Squares Support Vector Machine. The chaotic ions motion algorithm is introduced to find the best hyper-parameters of the Least Squares Support Vector Machine. The temperature data from a calibration experiment is conducted to validate the proposed method. With attention on algorithm robustness and engineering applications, the compensation result shows the proposed scheme outperforms other compared methods on several performance measures as maximum absolute relative error, minimum absolute relative error mean and variance of the averaged value on fifty runs. Furthermore, the proposed temperature compensation approach lays a foundation for more extensive research.

Algorithms for Maneuvering Spacecraft Around Small Bodies

NASA Technical Reports Server (NTRS)

Acikmese, A. Bechet; Bayard, David

2006-01-01

A document describes mathematical derivations and applications of autonomous guidance algorithms for maneuvering spacecraft in the vicinities of small astronomical bodies like comets or asteroids. These algorithms compute fuel- or energy-optimal trajectories for typical maneuvers by solving the associated optimal-control problems with relevant control and state constraints. In the derivations, these problems are converted from their original continuous (infinite-dimensional) forms to finite-dimensional forms through (1) discretization of the time axis and (2) spectral discretization of control inputs via a finite number of Chebyshev basis functions. In these doubly discretized problems, the Chebyshev coefficients are the variables. These problems are, variously, either convex programming problems or programming problems that can be convexified. The resulting discrete problems are convex parameter-optimization problems; this is desirable because one can take advantage of very efficient and robust algorithms that have been developed previously and are well established for solving such problems. These algorithms are fast, do not require initial guesses, and always converge to global optima. Following the derivations, the algorithms are demonstrated by applying them to numerical examples of flyby, descent-to-hover, and ascent-from-hover maneuvers.

Aquarius Salinity Retrieval Algorithm: Final Pre-Launch Version

NASA Technical Reports Server (NTRS)

Wentz, Frank J.; Le Vine, David M.

2011-01-01

This document provides the theoretical basis for the Aquarius salinity retrieval algorithm. The inputs to the algorithm are the Aquarius antenna temperature (T(sub A)) measurements along with a number of NCEP operational products and pre-computed tables of space radiation coming from the galaxy and sun. The output is sea-surface salinity and many intermediate variables required for the salinity calculation. This revision of the Algorithm Theoretical Basis Document (ATBD) is intended to be the final pre-launch version.

Intelligent flight control systems

NASA Technical Reports Server (NTRS)

Stengel, Robert F.

1993-01-01

The capabilities of flight control systems can be enhanced by designing them to emulate functions of natural intelligence. Intelligent control functions fall in three categories. Declarative actions involve decision-making, providing models for system monitoring, goal planning, and system/scenario identification. Procedural actions concern skilled behavior and have parallels in guidance, navigation, and adaptation. Reflexive actions are spontaneous, inner-loop responses for control and estimation. Intelligent flight control systems learn knowledge of the aircraft and its mission and adapt to changes in the flight environment. Cognitive models form an efficient basis for integrating 'outer-loop/inner-loop' control functions and for developing robust parallel-processing algorithms.

Mesh-free data transfer algorithms for partitioned multiphysics problems: Conservation, accuracy, and parallelism

DOE PAGES

Slattery, Stuart R.

2015-12-02

In this study we analyze and extend mesh-free algorithms for three-dimensional data transfer problems in partitioned multiphysics simulations. We first provide a direct comparison between a mesh-based weighted residual method using the common-refinement scheme and two mesh-free algorithms leveraging compactly supported radial basis functions: one using a spline interpolation and one using a moving least square reconstruction. Through the comparison we assess both the conservation and accuracy of the data transfer obtained from each of the methods. We do so for a varying set of geometries with and without curvature and sharp features and for functions with and without smoothnessmore » and with varying gradients. Our results show that the mesh-based and mesh-free algorithms are complementary with cases where each was demonstrated to perform better than the other. We then focus on the mesh-free methods by developing a set of algorithms to parallelize them based on sparse linear algebra techniques. This includes a discussion of fast parallel radius searching in point clouds and restructuring the interpolation algorithms to leverage data structures and linear algebra services designed for large distributed computing environments. The scalability of our new algorithms is demonstrated on a leadership class computing facility using a set of basic scaling studies. Finally, these scaling studies show that for problems with reasonable load balance, our new algorithms for both spline interpolation and moving least square reconstruction demonstrate both strong and weak scalability using more than 100,000 MPI processes with billions of degrees of freedom in the data transfer operation.« less

Genetic algorithm based adaptive neural network ensemble and its application in predicting carbon flux

USGS Publications Warehouse

Xue, Y.; Liu, S.; Hu, Y.; Yang, J.; Chen, Q.

2007-01-01

To improve the accuracy in prediction, Genetic Algorithm based Adaptive Neural Network Ensemble (GA-ANNE) is presented. Intersections are allowed between different training sets based on the fuzzy clustering analysis, which ensures the diversity as well as the accuracy of individual Neural Networks (NNs). Moreover, to improve the accuracy of the adaptive weights of individual NNs, GA is used to optimize the cluster centers. Empirical results in predicting carbon flux of Duke Forest reveal that GA-ANNE can predict the carbon flux more accurately than Radial Basis Function Neural Network (RBFNN), Bagging NN ensemble, and ANNE. ?? 2007 IEEE.

Model's sparse representation based on reduced mixed GMsFE basis methods

NASA Astrophysics Data System (ADS)

Jiang, Lijian; Li, Qiuqi

2017-06-01

In this paper, we propose a model's sparse representation based on reduced mixed generalized multiscale finite element (GMsFE) basis methods for elliptic PDEs with random inputs. A typical application for the elliptic PDEs is the flow in heterogeneous random porous media. Mixed generalized multiscale finite element method (GMsFEM) is one of the accurate and efficient approaches to solve the flow problem in a coarse grid and obtain the velocity with local mass conservation. When the inputs of the PDEs are parameterized by the random variables, the GMsFE basis functions usually depend on the random parameters. This leads to a large number degree of freedoms for the mixed GMsFEM and substantially impacts on the computation efficiency. In order to overcome the difficulty, we develop reduced mixed GMsFE basis methods such that the multiscale basis functions are independent of the random parameters and span a low-dimensional space. To this end, a greedy algorithm is used to find a set of optimal samples from a training set scattered in the parameter space. Reduced mixed GMsFE basis functions are constructed based on the optimal samples using two optimal sampling strategies: basis-oriented cross-validation and proper orthogonal decomposition. Although the dimension of the space spanned by the reduced mixed GMsFE basis functions is much smaller than the dimension of the original full order model, the online computation still depends on the number of coarse degree of freedoms. To significantly improve the online computation, we integrate the reduced mixed GMsFE basis methods with sparse tensor approximation and obtain a sparse representation for the model's outputs. The sparse representation is very efficient for evaluating the model's outputs for many instances of parameters. To illustrate the efficacy of the proposed methods, we present a few numerical examples for elliptic PDEs with multiscale and random inputs. In particular, a two-phase flow model in random porous media is simulated by the proposed sparse representation method.

Model's sparse representation based on reduced mixed GMsFE basis methods

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

Jiang, Lijian, E-mail: ljjiang@hnu.edu.cn; Li, Qiuqi, E-mail: qiuqili@hnu.edu.cn

2017-06-01

In this paper, we propose a model's sparse representation based on reduced mixed generalized multiscale finite element (GMsFE) basis methods for elliptic PDEs with random inputs. A typical application for the elliptic PDEs is the flow in heterogeneous random porous media. Mixed generalized multiscale finite element method (GMsFEM) is one of the accurate and efficient approaches to solve the flow problem in a coarse grid and obtain the velocity with local mass conservation. When the inputs of the PDEs are parameterized by the random variables, the GMsFE basis functions usually depend on the random parameters. This leads to a largemore » number degree of freedoms for the mixed GMsFEM and substantially impacts on the computation efficiency. In order to overcome the difficulty, we develop reduced mixed GMsFE basis methods such that the multiscale basis functions are independent of the random parameters and span a low-dimensional space. To this end, a greedy algorithm is used to find a set of optimal samples from a training set scattered in the parameter space. Reduced mixed GMsFE basis functions are constructed based on the optimal samples using two optimal sampling strategies: basis-oriented cross-validation and proper orthogonal decomposition. Although the dimension of the space spanned by the reduced mixed GMsFE basis functions is much smaller than the dimension of the original full order model, the online computation still depends on the number of coarse degree of freedoms. To significantly improve the online computation, we integrate the reduced mixed GMsFE basis methods with sparse tensor approximation and obtain a sparse representation for the model's outputs. The sparse representation is very efficient for evaluating the model's outputs for many instances of parameters. To illustrate the efficacy of the proposed methods, we present a few numerical examples for elliptic PDEs with multiscale and random inputs. In particular, a two-phase flow model in random porous media is simulated by the proposed sparse representation method.« less

A new time dependent density functional algorithm for large systems and plasmons in metal clusters

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

Baseggio, Oscar; Fronzoni, Giovanna; Stener, Mauro, E-mail: stener@univ.trieste.it

2015-07-14

A new algorithm to solve the Time Dependent Density Functional Theory (TDDFT) equations in the space of the density fitting auxiliary basis set has been developed and implemented. The method extracts the spectrum from the imaginary part of the polarizability at any given photon energy, avoiding the bottleneck of Davidson diagonalization. The original idea which made the present scheme very efficient consists in the simplification of the double sum over occupied-virtual pairs in the definition of the dielectric susceptibility, allowing an easy calculation of such matrix as a linear combination of constant matrices with photon energy dependent coefficients. The methodmore » has been applied to very different systems in nature and size (from H{sub 2} to [Au{sub 147}]{sup −}). In all cases, the maximum deviations found for the excitation energies with respect to the Amsterdam density functional code are below 0.2 eV. The new algorithm has the merit not only to calculate the spectrum at whichever photon energy but also to allow a deep analysis of the results, in terms of transition contribution maps, Jacob plasmon scaling factor, and induced density analysis, which have been all implemented.« less

Functional Generalized Structured Component Analysis.

PubMed

Suk, Hye Won; Hwang, Heungsun

2016-12-01

An extension of Generalized Structured Component Analysis (GSCA), called Functional GSCA, is proposed to analyze functional data that are considered to arise from an underlying smooth curve varying over time or other continua. GSCA has been geared for the analysis of multivariate data. Accordingly, it cannot deal with functional data that often involve different measurement occasions across participants and a large number of measurement occasions that exceed the number of participants. Functional GSCA addresses these issues by integrating GSCA with spline basis function expansions that represent infinite-dimensional curves onto a finite-dimensional space. For parameter estimation, functional GSCA minimizes a penalized least squares criterion by using an alternating penalized least squares estimation algorithm. The usefulness of functional GSCA is illustrated with gait data.

Novel neural control for a class of uncertain pure-feedback systems.

PubMed

Shen, Qikun; Shi, Peng; Zhang, Tianping; Lim, Cheng-Chew

2014-04-01

This paper is concerned with the problem of adaptive neural tracking control for a class of uncertain pure-feedback nonlinear systems. Using the implicit function theorem and backstepping technique, a practical robust adaptive neural control scheme is proposed to guarantee that the tracking error converges to an adjusted neighborhood of the origin by choosing appropriate design parameters. In contrast to conventional Lyapunov-based design techniques, an alternative Lyapunov function is constructed for the development of control law and learning algorithms. Differing from the existing results in the literature, the control scheme does not need to compute the derivatives of virtual control signals at each step in backstepping design procedures. Furthermore, the scheme requires the desired trajectory and its first derivative rather than its first n derivatives. In addition, the useful property of the basis function of the radial basis function, which will be used in control design, is explored. Simulation results illustrate the effectiveness of the proposed techniques.

Generalised Transfer Functions of Neural Networks

NASA Astrophysics Data System (ADS)

Fung, C. F.; Billings, S. A.; Zhang, H.

1997-11-01

When artificial neural networks are used to model non-linear dynamical systems, the system structure which can be extremely useful for analysis and design, is buried within the network architecture. In this paper, explicit expressions for the frequency response or generalised transfer functions of both feedforward and recurrent neural networks are derived in terms of the network weights. The derivation of the algorithm is established on the basis of the Taylor series expansion of the activation functions used in a particular neural network. This leads to a representation which is equivalent to the non-linear recursive polynomial model and enables the derivation of the transfer functions to be based on the harmonic expansion method. By mapping the neural network into the frequency domain information about the structure of the underlying non-linear system can be recovered. Numerical examples are included to demonstrate the application of the new algorithm. These examples show that the frequency response functions appear to be highly sensitive to the network topology and training, and that the time domain properties fail to reveal deficiencies in the trained network structure.

Efficient algorithm for multiconfiguration pair-density functional theory with application to the heterolytic dissociation energy of ferrocene

NASA Astrophysics Data System (ADS)

Sand, Andrew M.; Truhlar, Donald G.; Gagliardi, Laura

2017-01-01

The recently developed multiconfiguration pair-density functional theory (MC-PDFT) combines multiconfiguration wave function theory with a density functional that depends on the on-top pair density of an electronic system. In an MC-PDFT calculation, there are two steps: a conventional multiconfiguration self-consistent-field (MCSCF) calculation and a post-MCSCF evaluation of the energy with an on-top density functional. In this work, we present the details of the MC-PDFT algorithm that avoids steeply scaling steps that are present in other post-self-consistent-field multireference calculations of dynamic correlation energy. We demonstrate the favorable scaling by considering systems of H2 molecules with active spaces of several different sizes. We then apply the MC-PDFT method to calculate the heterolytic dissociation enthalpy of ferrocene. We find that MC-PDFT yields results that are at least as accurate as complete active space second-order perturbation theory and are more stable with respect to basis set, but at a fraction of the cost in both time and memory.

Efficient algorithm for multiconfiguration pair-density functional theory with application to the heterolytic dissociation energy of ferrocene.

PubMed

Sand, Andrew M; Truhlar, Donald G; Gagliardi, Laura

2017-01-21

The recently developed multiconfiguration pair-density functional theory (MC-PDFT) combines multiconfiguration wave function theory with a density functional that depends on the on-top pair density of an electronic system. In an MC-PDFT calculation, there are two steps: a conventional multiconfiguration self-consistent-field (MCSCF) calculation and a post-MCSCF evaluation of the energy with an on-top density functional. In this work, we present the details of the MC-PDFT algorithm that avoids steeply scaling steps that are present in other post-self-consistent-field multireference calculations of dynamic correlation energy. We demonstrate the favorable scaling by considering systems of H 2 molecules with active spaces of several different sizes. We then apply the MC-PDFT method to calculate the heterolytic dissociation enthalpy of ferrocene. We find that MC-PDFT yields results that are at least as accurate as complete active space second-order perturbation theory and are more stable with respect to basis set, but at a fraction of the cost in both time and memory.

Many amino acid substitution variants identified in DNA repair genes during human population screenings are predicted to impact protein function

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

Xi, T; Jones, I M; Mohrenweiser, H W

2003-11-03

Over 520 different amino acid substitution variants have been previously identified in the systematic screening of 91 human DNA repair genes for sequence variation. Two algorithms were employed to predict the impact of these amino acid substitutions on protein activity. Sorting Intolerant From Tolerant (SIFT) classified 226 of 508 variants (44%) as ''Intolerant''. Polymorphism Phenotyping (PolyPhen) classed 165 of 489 amino acid substitutions (34%) as ''Probably or Possibly Damaging''. Another 9-15% of the variants were classed as ''Potentially Intolerant or Damaging''. The results from the two algorithms are highly associated, with concordance in predicted impact observed for {approx}62% of themore » variants. Twenty one to thirty one percent of the variant proteins are predicted to exhibit reduced activity by both algorithms. These variants occur at slightly lower individual allele frequency than do the variants classified as ''Tolerant'' or ''Benign''. Both algorithms correctly predicted the impact of 26 functionally characterized amino acid substitutions in the APE1 protein on biochemical activity, with one exception. It is concluded that a substantial fraction of the missense variants observed in the general human population are functionally relevant. These variants are expected to be the molecular genetic and biochemical basis for the associations of reduced DNA repair capacity phenotypes with elevated cancer risk.« less

Generic Kalman Filter Software

NASA Technical Reports Server (NTRS)

Lisano, Michael E., II; Crues, Edwin Z.

2005-01-01

The Generic Kalman Filter (GKF) software provides a standard basis for the development of application-specific Kalman-filter programs. Historically, Kalman filters have been implemented by customized programs that must be written, coded, and debugged anew for each unique application, then tested and tuned with simulated or actual measurement data. Total development times for typical Kalman-filter application programs have ranged from months to weeks. The GKF software can simplify the development process and reduce the development time by eliminating the need to re-create the fundamental implementation of the Kalman filter for each new application. The GKF software is written in the ANSI C programming language. It contains a generic Kalman-filter-development directory that, in turn, contains a code for a generic Kalman filter function; more specifically, it contains a generically designed and generically coded implementation of linear, linearized, and extended Kalman filtering algorithms, including algorithms for state- and covariance-update and -propagation functions. The mathematical theory that underlies the algorithms is well known and has been reported extensively in the open technical literature. Also contained in the directory are a header file that defines generic Kalman-filter data structures and prototype functions and template versions of application-specific subfunction and calling navigation/estimation routine code and headers. Once the user has provided a calling routine and the required application-specific subfunctions, the application-specific Kalman-filter software can be compiled and executed immediately. During execution, the generic Kalman-filter function is called from a higher-level navigation or estimation routine that preprocesses measurement data and post-processes output data. The generic Kalman-filter function uses the aforementioned data structures and five implementation- specific subfunctions, which have been developed by the user on the basis of the aforementioned templates. The GKF software can be used to develop many different types of unfactorized Kalman filters. A developer can choose to implement either a linearized or an extended Kalman filter algorithm, without having to modify the GKF software. Control dynamics can be taken into account or neglected in the filter-dynamics model. Filter programs developed by use of the GKF software can be made to propagate equations of motion for linear or nonlinear dynamical systems that are deterministic or stochastic. In addition, filter programs can be made to operate in user-selectable "covariance analysis" and "propagation-only" modes that are useful in design and development stages.

NETWORK ASSISTED ANALYSIS TO REVEAL THE GENETIC BASIS OF AUTISM1

PubMed Central

Liu, Li; Lei, Jing; Roeder, Kathryn

2016-01-01

While studies show that autism is highly heritable, the nature of the genetic basis of this disorder remains illusive. Based on the idea that highly correlated genes are functionally interrelated and more likely to affect risk, we develop a novel statistical tool to find more potentially autism risk genes by combining the genetic association scores with gene co-expression in specific brain regions and periods of development. The gene dependence network is estimated using a novel partial neighborhood selection (PNS) algorithm, where node specific properties are incorporated into network estimation for improved statistical and computational efficiency. Then we adopt a hidden Markov random field (HMRF) model to combine the estimated network and the genetic association scores in a systematic manner. The proposed modeling framework can be naturally extended to incorporate additional structural information concerning the dependence between genes. Using currently available genetic association data from whole exome sequencing studies and brain gene expression levels, the proposed algorithm successfully identified 333 genes that plausibly affect autism risk. PMID:27134692

Diagnostic Performance of a Novel Coronary CT Angiography Algorithm: Prospective Multicenter Validation of an Intracycle CT Motion Correction Algorithm for Diagnostic Accuracy.

PubMed

Andreini, Daniele; Lin, Fay Y; Rizvi, Asim; Cho, Iksung; Heo, Ran; Pontone, Gianluca; Bartorelli, Antonio L; Mushtaq, Saima; Villines, Todd C; Carrascosa, Patricia; Choi, Byoung Wook; Bloom, Stephen; Wei, Han; Xing, Yan; Gebow, Dan; Gransar, Heidi; Chang, Hyuk-Jae; Leipsic, Jonathon; Min, James K

2018-06-01

Motion artifact can reduce the diagnostic accuracy of coronary CT angiography (CCTA) for coronary artery disease (CAD). The purpose of this study was to compare the diagnostic performance of an algorithm dedicated to correcting coronary motion artifact with the performance of standard reconstruction methods in a prospective international multicenter study. Patients referred for clinically indicated invasive coronary angiography (ICA) for suspected CAD prospectively underwent an investigational CCTA examination free from heart rate-lowering medications before they underwent ICA. Blinded core laboratory interpretations of motion-corrected and standard reconstructions for obstructive CAD (≥ 50% stenosis) were compared with ICA findings. Segments unevaluable owing to artifact were considered obstructive. The primary endpoint was per-subject diagnostic accuracy of the intracycle motion correction algorithm for obstructive CAD found at ICA. Among 230 patients who underwent CCTA with the motion correction algorithm and standard reconstruction, 92 (40.0%) had obstructive CAD on the basis of ICA findings. At a mean heart rate of 68.0 ± 11.7 beats/min, the motion correction algorithm reduced the number of nondiagnostic scans compared with standard reconstruction (20.4% vs 34.8%; p < 0.001). Diagnostic accuracy for obstructive CAD with the motion correction algorithm (62%; 95% CI, 56-68%) was not significantly different from that of standard reconstruction on a per-subject basis (59%; 95% CI, 53-66%; p = 0.28) but was superior on a per-vessel basis: 77% (95% CI, 74-80%) versus 72% (95% CI, 69-75%) (p = 0.02). The motion correction algorithm was superior in subgroups of patients with severely obstructive (≥ 70%) stenosis, heart rate ≥ 70 beats/min, and vessels in the atrioventricular groove. The motion correction algorithm studied reduces artifacts and improves diagnostic performance for obstructive CAD on a per-vessel basis and in selected subgroups on a per-subject basis.

Numerically Exact Calculation of Rovibrational Levels of Cl^-H_2O

NASA Astrophysics Data System (ADS)

Wang, Xiao-Gang; Carrington, Tucker

2014-06-01

Large amplitude vibrations of Van der Waals clusters are important because they reveal large regions of a potential energy surface (PES). To calculate spectra of Van der Waals clusters it is common to use an adiabatic approximation. When coupling between intra- and inter-molecular coordinates is important non-adiabatic coupling cannot be neglected and it is therefore critical to develop and test theoretical methods that couple both types of coordinates. We have developed new product basis and contracted basis Lanczos methods for Van der Waals complexes and tested them by computing rovibrational energy levels of Cl^-H_2O. The new product basis is made of functions of the inter-monomer distance, Wigner functions that depend on Euler angles specifying the orientation of H_2O with respect to a frame attached to the inter-monomer Jacobi vector, basis functions for H_2O vibration, and Wigner functions that depend on Euler angles specifying the orientation of the inter-monomer Jacobi vector with respect to a space-fixed frame. An advantage of this product basis is that it can be used to make an efficient contracted basis by replacing the vibrational basis functions for the monomer with monomer vibrational wavefunctions. Due to weak coupling between intra- and inter-molecular coordinates, only a few tens of monomer vibrational wavefunctions are necessary. The validity of the two new methods is established by comparing energy levels with benchmark rovibrational levels obtained with polyspherical coordinates and spherical harmonic type basis functions. For all bases, product structure is exploited to calculate eigenvalues with the Lanczos algorithm. For Cl^-H_2O, we are able, for the first time, to compute accurate splittings due to tunnelling between the two equivalent C_s minima. We use the PES of Rheinecker and Bowman (RB). Our results are in good agreement with experiment for the five fundamental bands observed. J. Rheinecker and J. M. Bowman, J. Chem. Phys. 124 131102 (2006) J. Rheinecker and J. M. Bowman, J. Chem. Phys. 125 133206 (2006)} S. Horvath, A. B. McCoy, B. M. Elliott, G. H. Weddle, J. R. Roscioli, and M. A. Johnson J. Phys. Chem. A 114 1556 (2010)

Decoding the encoding of functional brain networks: An fMRI classification comparison of non-negative matrix factorization (NMF), independent component analysis (ICA), and sparse coding algorithms.

PubMed

Xie, Jianwen; Douglas, Pamela K; Wu, Ying Nian; Brody, Arthur L; Anderson, Ariana E

2017-04-15

Brain networks in fMRI are typically identified using spatial independent component analysis (ICA), yet other mathematical constraints provide alternate biologically-plausible frameworks for generating brain networks. Non-negative matrix factorization (NMF) would suppress negative BOLD signal by enforcing positivity. Spatial sparse coding algorithms (L1 Regularized Learning and K-SVD) would impose local specialization and a discouragement of multitasking, where the total observed activity in a single voxel originates from a restricted number of possible brain networks. The assumptions of independence, positivity, and sparsity to encode task-related brain networks are compared; the resulting brain networks within scan for different constraints are used as basis functions to encode observed functional activity. These encodings are then decoded using machine learning, by using the time series weights to predict within scan whether a subject is viewing a video, listening to an audio cue, or at rest, in 304 fMRI scans from 51 subjects. The sparse coding algorithm of L1 Regularized Learning outperformed 4 variations of ICA (p<0.001) for predicting the task being performed within each scan using artifact-cleaned components. The NMF algorithms, which suppressed negative BOLD signal, had the poorest accuracy compared to the ICA and sparse coding algorithms. Holding constant the effect of the extraction algorithm, encodings using sparser spatial networks (containing more zero-valued voxels) had higher classification accuracy (p<0.001). Lower classification accuracy occurred when the extracted spatial maps contained more CSF regions (p<0.001). The success of sparse coding algorithms suggests that algorithms which enforce sparsity, discourage multitasking, and promote local specialization may capture better the underlying source processes than those which allow inexhaustible local processes such as ICA. Negative BOLD signal may capture task-related activations. Copyright © 2017 Elsevier B.V. All rights reserved.

The automated system for prevention of industrial-caused diseases

NASA Astrophysics Data System (ADS)

Varnavsky, A. N.

2017-01-01

The paper presents the automated system intended to prevent industrial-caused diseases of workers, the basis of which is represented by algorithms of preventing several negative functional conditions (stress, monotony). The emergence of such state shall be determined based on an analysis of bioelectric signals, in particular, skin-galvanic reactions. Proceeding from the dynamics of the functional state, the automated system offers to perform an optimized set of measures to restore the health of the worker. Implementation of an automated system is presented in Visual Programming system LabVIEW.

Multi-sensor image fusion algorithm based on multi-objective particle swarm optimization algorithm

NASA Astrophysics Data System (ADS)

Xie, Xia-zhu; Xu, Ya-wei

2017-11-01

On the basis of DT-CWT (Dual-Tree Complex Wavelet Transform - DT-CWT) theory, an approach based on MOPSO (Multi-objective Particle Swarm Optimization Algorithm) was proposed to objectively choose the fused weights of low frequency sub-bands. High and low frequency sub-bands were produced by DT-CWT. Absolute value of coefficients was adopted as fusion rule to fuse high frequency sub-bands. Fusion weights in low frequency sub-bands were used as particles in MOPSO. Spatial Frequency and Average Gradient were adopted as two kinds of fitness functions in MOPSO. The experimental result shows that the proposed approach performances better than Average Fusion and fusion methods based on local variance and local energy respectively in brightness, clarity and quantitative evaluation which includes Entropy, Spatial Frequency, Average Gradient and QAB/F.

The reduced basis method for the electric field integral equation

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

Fares, M., E-mail: fares@cerfacs.f; Hesthaven, J.S., E-mail: Jan_Hesthaven@Brown.ed; Maday, Y., E-mail: maday@ann.jussieu.f

We introduce the reduced basis method (RBM) as an efficient tool for parametrized scattering problems in computational electromagnetics for problems where field solutions are computed using a standard Boundary Element Method (BEM) for the parametrized electric field integral equation (EFIE). This combination enables an algorithmic cooperation which results in a two step procedure. The first step consists of a computationally intense assembling of the reduced basis, that needs to be effected only once. In the second step, we compute output functionals of the solution, such as the Radar Cross Section (RCS), independently of the dimension of the discretization space, formore » many different parameter values in a many-query context at very little cost. Parameters include the wavenumber, the angle of the incident plane wave and its polarization.« less

Synthesis of atmospheric turbulence point spread functions by sparse and redundant representations

NASA Astrophysics Data System (ADS)

Hunt, Bobby R.; Iler, Amber L.; Bailey, Christopher A.; Rucci, Michael A.

2018-02-01

Atmospheric turbulence is a fundamental problem in imaging through long slant ranges, horizontal-range paths, or uplooking astronomical cases through the atmosphere. An essential characterization of atmospheric turbulence is the point spread function (PSF). Turbulence images can be simulated to study basic questions, such as image quality and image restoration, by synthesizing PSFs of desired properties. In this paper, we report on a method to synthesize PSFs of atmospheric turbulence. The method uses recent developments in sparse and redundant representations. From a training set of measured atmospheric PSFs, we construct a dictionary of "basis functions" that characterize the atmospheric turbulence PSFs. A PSF can be synthesized from this dictionary by a properly weighted combination of dictionary elements. We disclose an algorithm to synthesize PSFs from the dictionary. The algorithm can synthesize PSFs in three orders of magnitude less computing time than conventional wave optics propagation methods. The resulting PSFs are also shown to be statistically representative of the turbulence conditions that were used to construct the dictionary.

The underlying pathway structure of biochemical reaction networks

PubMed Central

Schilling, Christophe H.; Palsson, Bernhard O.

1998-01-01

Bioinformatics is yielding extensive, and in some cases complete, genetic and biochemical information about individual cell types and cellular processes, providing the composition of living cells and the molecular structure of its components. These components together perform integrated cellular functions that now need to be analyzed. In particular, the functional definition of biochemical pathways and their role in the context of the whole cell is lacking. In this study, we show how the mass balance constraints that govern the function of biochemical reaction networks lead to the translation of this problem into the realm of linear algebra. The functional capabilities of biochemical reaction networks, and thus the choices that cells can make, are reflected in the null space of their stoichiometric matrix. The null space is spanned by a finite number of basis vectors. We present an algorithm for the synthesis of a set of basis vectors for spanning the null space of the stoichiometric matrix, in which these basis vectors represent the underlying biochemical pathways that are fundamental to the corresponding biochemical reaction network. In other words, all possible flux distributions achievable by a defined set of biochemical reactions are represented by a linear combination of these basis pathways. These basis pathways thus represent the underlying pathway structure of the defined biochemical reaction network. This development is significant from a fundamental and conceptual standpoint because it yields a holistic definition of biochemical pathways in contrast to definitions that have arisen from the historical development of our knowledge about biochemical processes. Additionally, this new conceptual framework will be important in defining, characterizing, and studying biochemical pathways from the rapidly growing information on cellular function. PMID:9539712

Using monomer vibrational wavefunctions as contracted basis functions to compute rovibrational levels of an H2O-atom complex in full dimensionality.

PubMed

Wang, Xiao-Gang; Carrington, Tucker

2017-03-14

In this paper, we present new ideas for computing rovibrational energy levels of molecules composed of two components and apply them to H 2 O-Cl - . When both components are themselves molecules, Euler angles that specify their orientation with respect to an axis system attached to the inter-monomer vector are used as vibrational coordinates. For H 2 O-Cl - , there is only one set of Euler angles. Using Euler angles as intermolecular vibrational coordinates is advantageous because in many cases coupling between them and coordinates that describe the shape of the monomers is unimportant. The monomers are not assumed to be rigid. In the most efficient calculation, vibrational wavefunctions of the monomers are used as contracted basis functions. Energy levels are calculated using the Lanczos algorithm.

Using monomer vibrational wavefunctions as contracted basis functions to compute rovibrational levels of an H2O-atom complex in full dimensionality

NASA Astrophysics Data System (ADS)

Wang, Xiao-Gang; Carrington, Tucker

2017-03-01

In this paper, we present new ideas for computing rovibrational energy levels of molecules composed of two components and apply them to H2O-Cl-. When both components are themselves molecules, Euler angles that specify their orientation with respect to an axis system attached to the inter-monomer vector are used as vibrational coordinates. For H2O-Cl-, there is only one set of Euler angles. Using Euler angles as intermolecular vibrational coordinates is advantageous because in many cases coupling between them and coordinates that describe the shape of the monomers is unimportant. The monomers are not assumed to be rigid. In the most efficient calculation, vibrational wavefunctions of the monomers are used as contracted basis functions. Energy levels are calculated using the Lanczos algorithm.

Tool Wear Feature Extraction Based on Hilbert Marginal Spectrum

NASA Astrophysics Data System (ADS)

Guan, Shan; Song, Weijie; Pang, Hongyang

2017-09-01

In the metal cutting process, the signal contains a wealth of tool wear state information. A tool wear signal’s analysis and feature extraction method based on Hilbert marginal spectrum is proposed. Firstly, the tool wear signal was decomposed by empirical mode decomposition algorithm and the intrinsic mode functions including the main information were screened out by the correlation coefficient and the variance contribution rate. Secondly, Hilbert transform was performed on the main intrinsic mode functions. Hilbert time-frequency spectrum and Hilbert marginal spectrum were obtained by Hilbert transform. Finally, Amplitude domain indexes were extracted on the basis of the Hilbert marginal spectrum and they structured recognition feature vector of tool wear state. The research results show that the extracted features can effectively characterize the different wear state of the tool, which provides a basis for monitoring tool wear condition.

A New Algorithm with Plane Waves and Wavelets for Random Velocity Fields with Many Spatial Scales

NASA Astrophysics Data System (ADS)

Elliott, Frank W.; Majda, Andrew J.

1995-03-01

A new Monte Carlo algorithm for constructing and sampling stationary isotropic Gaussian random fields with power-law energy spectrum, infrared divergence, and fractal self-similar scaling is developed here. The theoretical basis for this algorithm involves the fact that such a random field is well approximated by a superposition of random one-dimensional plane waves involving a fixed finite number of directions. In general each one-dimensional plane wave is the sum of a random shear layer and a random acoustical wave. These one-dimensional random plane waves are then simulated by a wavelet Monte Carlo method for a single space variable developed recently by the authors. The computational results reported in this paper demonstrate remarkable low variance and economical representation of such Gaussian random fields through this new algorithm. In particular, the velocity structure function for an imcorepressible isotropic Gaussian random field in two space dimensions with the Kolmogoroff spectrum can be simulated accurately over 12 decades with only 100 realizations of the algorithm with the scaling exponent accurate to 1.1% and the constant prefactor accurate to 6%; in fact, the exponent of the velocity structure function can be computed over 12 decades within 3.3% with only 10 realizations. Furthermore, only 46,592 active computational elements are utilized in each realization to achieve these results for 12 decades of scaling behavior.

Multichannel High Resolution Wide Swath SAR Imaging for Hypersonic Air Vehicle with Curved Trajectory.

PubMed

Zhou, Rui; Sun, Jinping; Hu, Yuxin; Qi, Yaolong

2018-01-31

Synthetic aperture radar (SAR) equipped on the hypersonic air vehicle in near space has many advantages over the conventional airborne SAR. However, its high-speed maneuvering characteristics with curved trajectory result in serious range migration, and exacerbate the contradiction between the high resolution and wide swath. To solve this problem, this paper establishes the imaging geometrical model matched with the flight trajectory of the hypersonic platform and the multichannel azimuth sampling model based on the displaced phase center antenna (DPCA) technology. Furthermore, based on the multichannel signal reconstruction theory, a more efficient spectrum reconstruction model using discrete Fourier transform is proposed to obtain the azimuth uniform sampling data. Due to the high complexity of the slant range model, it is difficult to deduce the processing algorithm for SAR imaging. Thus, an approximate range model is derived based on the minimax criterion, and the optimal second-order approximate coefficients of cosine function are obtained using the two-population coevolutionary algorithm. On this basis, aiming at the problem that the traditional Omega-K algorithm cannot compensate the residual phase with the difficulty of Stolt mapping along the range frequency axis, this paper proposes an Exact Transfer Function (ETF) algorithm for SAR imaging, and presents a method of range division to achieve wide swath imaging. Simulation results verify the effectiveness of the ETF imaging algorithm.

Multichannel High Resolution Wide Swath SAR Imaging for Hypersonic Air Vehicle with Curved Trajectory

PubMed Central

Zhou, Rui; Hu, Yuxin; Qi, Yaolong

2018-01-01

Synthetic aperture radar (SAR) equipped on the hypersonic air vehicle in near space has many advantages over the conventional airborne SAR. However, its high-speed maneuvering characteristics with curved trajectory result in serious range migration, and exacerbate the contradiction between the high resolution and wide swath. To solve this problem, this paper establishes the imaging geometrical model matched with the flight trajectory of the hypersonic platform and the multichannel azimuth sampling model based on the displaced phase center antenna (DPCA) technology. Furthermore, based on the multichannel signal reconstruction theory, a more efficient spectrum reconstruction model using discrete Fourier transform is proposed to obtain the azimuth uniform sampling data. Due to the high complexity of the slant range model, it is difficult to deduce the processing algorithm for SAR imaging. Thus, an approximate range model is derived based on the minimax criterion, and the optimal second-order approximate coefficients of cosine function are obtained using the two-population coevolutionary algorithm. On this basis, aiming at the problem that the traditional Omega-K algorithm cannot compensate the residual phase with the difficulty of Stolt mapping along the range frequency axis, this paper proposes an Exact Transfer Function (ETF) algorithm for SAR imaging, and presents a method of range division to achieve wide swath imaging. Simulation results verify the effectiveness of the ETF imaging algorithm. PMID:29385059

Short-term prediction of chaotic time series by using RBF network with regression weights.

PubMed

Rojas, I; Gonzalez, J; Cañas, A; Diaz, A F; Rojas, F J; Rodriguez, M

2000-10-01

We propose a framework for constructing and training a radial basis function (RBF) neural network. The structure of the gaussian functions is modified using a pseudo-gaussian function (PG) in which two scaling parameters sigma are introduced, which eliminates the symmetry restriction and provides the neurons in the hidden layer with greater flexibility with respect to function approximation. We propose a modified PG-BF (pseudo-gaussian basis function) network in which the regression weights are used to replace the constant weights in the output layer. For this purpose, a sequential learning algorithm is presented to adapt the structure of the network, in which it is possible to create a new hidden unit and also to detect and remove inactive units. A salient feature of the network systems is that the method used for calculating the overall output is the weighted average of the output associated with each receptive field. The superior performance of the proposed PG-BF system over the standard RBF are illustrated using the problem of short-term prediction of chaotic time series.

Control Systems with Pulse Width Modulation in Matrix Converters

NASA Astrophysics Data System (ADS)

Bondarev, A. V.; Fedorov, S. V.; Muravyova, E. A.

2018-03-01

In this article, the matrix frequency converter for the system of the frequency control of the electric drive is considered. Algorithms of formation of an output signal on the basis of pulse width modulation were developed for the quantitative analysis of quality of an output signal on the basis of mathematical models. On the basis of simulation models of an output signal, assessment of quality of this signal was carried out. The analysis of harmonic composition of the voltage output received on the basis of pulse width modulation was made for the purpose of determination of opportunities of the control system for improving harmonic composition. The result of such analysis led to the fact that the device formation of switching functions of the control system on the basis of PWM does not lead to a distortion reduction of a harmonic of the control signal, and leads to offset of harmonic in the field of frequencies, the multiple relatively carrier frequency.

Process modeling and parameter optimization using radial basis function neural network and genetic algorithm for laser welding of dissimilar materials

NASA Astrophysics Data System (ADS)

Ai, Yuewei; Shao, Xinyu; Jiang, Ping; Li, Peigen; Liu, Yang; Yue, Chen

2015-11-01

The welded joints of dissimilar materials have been widely used in automotive, ship and space industries. The joint quality is often evaluated by weld seam geometry, microstructures and mechanical properties. To obtain the desired weld seam geometry and improve the quality of welded joints, this paper proposes a process modeling and parameter optimization method to obtain the weld seam with minimum width and desired depth of penetration for laser butt welding of dissimilar materials. During the process, Taguchi experiments are conducted on the laser welding of the low carbon steel (Q235) and stainless steel (SUS301L-HT). The experimental results are used to develop the radial basis function neural network model, and the process parameters are optimized by genetic algorithm. The proposed method is validated by a confirmation experiment. Simultaneously, the microstructures and mechanical properties of the weld seam generated from optimal process parameters are further studied by optical microscopy and tensile strength test. Compared with the unoptimized weld seam, the welding defects are eliminated in the optimized weld seam and the mechanical properties are improved. The results show that the proposed method is effective and reliable for improving the quality of welded joints in practical production.

Evolutionary optimization of radial basis function classifiers for data mining applications.

PubMed

Buchtala, Oliver; Klimek, Manuel; Sick, Bernhard

2005-10-01

In many data mining applications that address classification problems, feature and model selection are considered as key tasks. That is, appropriate input features of the classifier must be selected from a given (and often large) set of possible features and structure parameters of the classifier must be adapted with respect to these features and a given data set. This paper describes an evolutionary algorithm (EA) that performs feature and model selection simultaneously for radial basis function (RBF) classifiers. In order to reduce the optimization effort, various techniques are integrated that accelerate and improve the EA significantly: hybrid training of RBF networks, lazy evaluation, consideration of soft constraints by means of penalty terms, and temperature-based adaptive control of the EA. The feasibility and the benefits of the approach are demonstrated by means of four data mining problems: intrusion detection in computer networks, biometric signature verification, customer acquisition with direct marketing methods, and optimization of chemical production processes. It is shown that, compared to earlier EA-based RBF optimization techniques, the runtime is reduced by up to 99% while error rates are lowered by up to 86%, depending on the application. The algorithm is independent of specific applications so that many ideas and solutions can be transferred to other classifier paradigms.

Motion planning for autonomous vehicle based on radial basis function neural network in unstructured environment.

PubMed

Chen, Jiajia; Zhao, Pan; Liang, Huawei; Mei, Tao

2014-09-18

The autonomous vehicle is an automated system equipped with features like environment perception, decision-making, motion planning, and control and execution technology. Navigating in an unstructured and complex environment is a huge challenge for autonomous vehicles, due to the irregular shape of road, the requirement of real-time planning, and the nonholonomic constraints of vehicle. This paper presents a motion planning method, based on the Radial Basis Function (RBF) neural network, to guide the autonomous vehicle in unstructured environments. The proposed algorithm extracts the drivable region from the perception grid map based on the global path, which is available in the road network. The sample points are randomly selected in the drivable region, and a gradient descent method is used to train the RBF network. The parameters of the motion-planning algorithm are verified through the simulation and experiment. It is observed that the proposed approach produces a flexible, smooth, and safe path that can fit any road shape. The method is implemented on autonomous vehicle and verified against many outdoor scenes; furthermore, a comparison of proposed method with the existing well-known Rapidly-exploring Random Tree (RRT) method is presented. The experimental results show that the proposed method is highly effective in planning the vehicle path and offers better motion quality.

Motion Planning for Autonomous Vehicle Based on Radial Basis Function Neural Network in Unstructured Environment

PubMed Central

Chen, Jiajia; Zhao, Pan; Liang, Huawei; Mei, Tao

2014-01-01

The autonomous vehicle is an automated system equipped with features like environment perception, decision-making, motion planning, and control and execution technology. Navigating in an unstructured and complex environment is a huge challenge for autonomous vehicles, due to the irregular shape of road, the requirement of real-time planning, and the nonholonomic constraints of vehicle. This paper presents a motion planning method, based on the Radial Basis Function (RBF) neural network, to guide the autonomous vehicle in unstructured environments. The proposed algorithm extracts the drivable region from the perception grid map based on the global path, which is available in the road network. The sample points are randomly selected in the drivable region, and a gradient descent method is used to train the RBF network. The parameters of the motion-planning algorithm are verified through the simulation and experiment. It is observed that the proposed approach produces a flexible, smooth, and safe path that can fit any road shape. The method is implemented on autonomous vehicle and verified against many outdoor scenes; furthermore, a comparison of proposed method with the existing well-known Rapidly-exploring Random Tree (RRT) method is presented. The experimental results show that the proposed method is highly effective in planning the vehicle path and offers better motion quality. PMID:25237902

A Practical Computational Method for the Anisotropic Redshift-Space 3-Point Correlation Function

NASA Astrophysics Data System (ADS)

Slepian, Zachary; Eisenstein, Daniel J.

2018-04-01

We present an algorithm enabling computation of the anisotropic redshift-space galaxy 3-point correlation function (3PCF) scaling as N2, with N the number of galaxies. Our previous work showed how to compute the isotropic 3PCF with this scaling by expanding the radially-binned density field around each galaxy in the survey into spherical harmonics and combining these coefficients to form multipole moments. The N2 scaling occurred because this approach never explicitly required the relative angle between a galaxy pair about the primary galaxy. Here we generalize this work, demonstrating that in the presence of azimuthally-symmetric anisotropy produced by redshift-space distortions (RSD) the 3PCF can be described by two triangle side lengths, two independent total angular momenta, and a spin. This basis for the anisotropic 3PCF allows its computation with negligible additional work over the isotropic 3PCF. We also present the covariance matrix of the anisotropic 3PCF measured in this basis. Our algorithm tracks the full 5-D redshift-space 3PCF, uses an accurate line of sight to each triplet, is exact in angle, and easily handles edge correction. It will enable use of the anisotropic large-scale 3PCF as a probe of RSD in current and upcoming large-scale redshift surveys.

A novel optimization algorithm for MIMO Hammerstein model identification under heavy-tailed noise.

PubMed

Jin, Qibing; Wang, Hehe; Su, Qixin; Jiang, Beiyan; Liu, Qie

2018-01-01

In this paper, we study the system identification of multi-input multi-output (MIMO) Hammerstein processes under the typical heavy-tailed noise. To the best of our knowledge, there is no general analytical method to solve this identification problem. Motivated by this, we propose a general identification method to solve this problem based on a Gaussian-Mixture Distribution intelligent optimization algorithm (GMDA). The nonlinear part of Hammerstein process is modeled by a Radial Basis Function (RBF) neural network, and the identification problem is converted to an optimization problem. To overcome the drawbacks of analytical identification method in the presence of heavy-tailed noise, a meta-heuristic optimization algorithm, Cuckoo search (CS) algorithm is used. To improve its performance for this identification problem, the Gaussian-mixture Distribution (GMD) and the GMD sequences are introduced to improve the performance of the standard CS algorithm. Numerical simulations for different MIMO Hammerstein models are carried out, and the simulation results verify the effectiveness of the proposed GMDA. Copyright © 2017 ISA. Published by Elsevier Ltd. All rights reserved.

Load balancing prediction method of cloud storage based on analytic hierarchy process and hybrid hierarchical genetic algorithm.

PubMed

Zhou, Xiuze; Lin, Fan; Yang, Lvqing; Nie, Jing; Tan, Qian; Zeng, Wenhua; Zhang, Nian

2016-01-01

With the continuous expansion of the cloud computing platform scale and rapid growth of users and applications, how to efficiently use system resources to improve the overall performance of cloud computing has become a crucial issue. To address this issue, this paper proposes a method that uses an analytic hierarchy process group decision (AHPGD) to evaluate the load state of server nodes. Training was carried out by using a hybrid hierarchical genetic algorithm (HHGA) for optimizing a radial basis function neural network (RBFNN). The AHPGD makes the aggregative indicator of virtual machines in cloud, and become input parameters of predicted RBFNN. Also, this paper proposes a new dynamic load balancing scheduling algorithm combined with a weighted round-robin algorithm, which uses the predictive periodical load value of nodes based on AHPPGD and RBFNN optimized by HHGA, then calculates the corresponding weight values of nodes and makes constant updates. Meanwhile, it keeps the advantages and avoids the shortcomings of static weighted round-robin algorithm.

Operating rules for multireservoir systems

NASA Astrophysics Data System (ADS)

Oliveira, Rodrigo; Loucks, Daniel P.

1997-04-01

Multireservoir operating policies are usually defined by rules that specify either individual reservoir desired (target) storage volumes or desired (target) releases based on the time of year and the existing total storage volume in all reservoirs. This paper focuses on the use of genetic search algorithms to derive these multireservoir operating policies. The genetic algorithms use real-valued vectors containing information needed to define both system release and individual reservoir storage volume targets as functions of total storage in each of multiple within-year periods. Elitism, arithmetic crossover, mutation, and "en bloc" replacement are used in the algorithms to generate successive sets of possible operating policies. Each policy is then evaluated using simulation to compute a performance index for a given flow series. The better performing policies are then used as a basis for generating new sets of possible policies. The process of improved policy generation and evaluation is repeated until no further improvement in performance is obtained. The proposed algorithm is applied to example reservoir systems used for water supply and hydropower.

A global reaction route mapping-based kinetic Monte Carlo algorithm

NASA Astrophysics Data System (ADS)

Mitchell, Izaac; Irle, Stephan; Page, Alister J.

2016-07-01

We propose a new on-the-fly kinetic Monte Carlo (KMC) method that is based on exhaustive potential energy surface searching carried out with the global reaction route mapping (GRRM) algorithm. Starting from any given equilibrium state, this GRRM-KMC algorithm performs a one-step GRRM search to identify all surrounding transition states. Intrinsic reaction coordinate pathways are then calculated to identify potential subsequent equilibrium states. Harmonic transition state theory is used to calculate rate constants for all potential pathways, before a standard KMC accept/reject selection is performed. The selected pathway is then used to propagate the system forward in time, which is calculated on the basis of 1st order kinetics. The GRRM-KMC algorithm is validated here in two challenging contexts: intramolecular proton transfer in malonaldehyde and surface carbon diffusion on an iron nanoparticle. We demonstrate that in both cases the GRRM-KMC method is capable of reproducing the 1st order kinetics observed during independent quantum chemical molecular dynamics simulations using the density-functional tight-binding potential.

An application of CART algorithm in genetics: IGFs and cGH polymorphisms in Japanese quail

NASA Astrophysics Data System (ADS)

Kaplan, Selçuk

2017-04-01

The avian insulin-like growth factor-1 (IGFs) and avian growth hormone (cGH) genes are the most important genes that can affect bird performance traits because of its important function in growth and metabolism. Understanding the molecular genetic basis of variation in growth-related traits is of importance for continued improvement and increased rates of genetic gain. The objective of the present study was to identify polymorphisms of cGH and IGFs genes in Japanese quail using conventional least square method (LSM) and CART algorithm. Therefore, this study was aimed to demonstrate at determining the polymorphisms of two genes related growth characteristics via CART algorithm. A simulated data set was generated to analyze by adhering the results of some poultry genetic studies which it includes live weights at 5 weeks of age, 3 alleles and 6 genotypes of cGH and 2 alleles and 3 genotypes of IGFs. As a result, it has been determined that the CART algorithm has some advantages as for that LSM.

A global reaction route mapping-based kinetic Monte Carlo algorithm.

PubMed

Mitchell, Izaac; Irle, Stephan; Page, Alister J

2016-07-14

We propose a new on-the-fly kinetic Monte Carlo (KMC) method that is based on exhaustive potential energy surface searching carried out with the global reaction route mapping (GRRM) algorithm. Starting from any given equilibrium state, this GRRM-KMC algorithm performs a one-step GRRM search to identify all surrounding transition states. Intrinsic reaction coordinate pathways are then calculated to identify potential subsequent equilibrium states. Harmonic transition state theory is used to calculate rate constants for all potential pathways, before a standard KMC accept/reject selection is performed. The selected pathway is then used to propagate the system forward in time, which is calculated on the basis of 1st order kinetics. The GRRM-KMC algorithm is validated here in two challenging contexts: intramolecular proton transfer in malonaldehyde and surface carbon diffusion on an iron nanoparticle. We demonstrate that in both cases the GRRM-KMC method is capable of reproducing the 1st order kinetics observed during independent quantum chemical molecular dynamics simulations using the density-functional tight-binding potential.

UAV Control on the Basis of 3D Landmark Bearing-Only Observations.

PubMed

Karpenko, Simon; Konovalenko, Ivan; Miller, Alexander; Miller, Boris; Nikolaev, Dmitry

2015-11-27

The article presents an approach to the control of a UAV on the basis of 3D landmark observations. The novelty of the work is the usage of the 3D RANSAC algorithm developed on the basis of the landmarks' position prediction with the aid of a modified Kalman-type filter. Modification of the filter based on the pseudo-measurements approach permits obtaining unbiased UAV position estimation with quadratic error characteristics. Modeling of UAV flight on the basis of the suggested algorithm shows good performance, even under significant external perturbations.

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

Makhov, Dmitry V.; Shalashilin, Dmitrii V.; Glover, William J.

We present a new algorithm for ab initio quantum nonadiabatic molecular dynamics that combines the best features of ab initio Multiple Spawning (AIMS) and Multiconfigurational Ehrenfest (MCE) methods. In this new method, ab initio multiple cloning (AIMC), the individual trajectory basis functions (TBFs) follow Ehrenfest equations of motion (as in MCE). However, the basis set is expanded (as in AIMS) when these TBFs become sufficiently mixed, preventing prolonged evolution on an averaged potential energy surface. We refer to the expansion of the basis set as “cloning,” in analogy to the “spawning” procedure in AIMS. This synthesis of AIMS and MCEmore » allows us to leverage the benefits of mean-field evolution during periods of strong nonadiabatic coupling while simultaneously avoiding mean-field artifacts in Ehrenfest dynamics. We explore the use of time-displaced basis sets, “trains,” as a means of expanding the basis set for little cost. We also introduce a new bra-ket averaged Taylor expansion (BAT) to approximate the necessary potential energy and nonadiabatic coupling matrix elements. The BAT approximation avoids the necessity of computing electronic structure information at intermediate points between TBFs, as is usually done in saddle-point approximations used in AIMS. The efficiency of AIMC is demonstrated on the nonradiative decay of the first excited state of ethylene. The AIMC method has been implemented within the AIMS-MOLPRO package, which was extended to include Ehrenfest basis functions.« less

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.

Construction of CASCI-type wave functions for very large active spaces.

PubMed

Boguslawski, Katharina; Marti, Konrad H; Reiher, Markus

2011-06-14

We present a procedure to construct a configuration-interaction expansion containing arbitrary excitations from an underlying full-configuration-interaction-type wave function defined for a very large active space. Our procedure is based on the density-matrix renormalization group (DMRG) algorithm that provides the necessary information in terms of the eigenstates of the reduced density matrices to calculate the coefficient of any basis state in the many-particle Hilbert space. Since the dimension of the Hilbert space scales binomially with the size of the active space, a sophisticated Monte Carlo sampling routine is employed. This sampling algorithm can also construct such configuration-interaction-type wave functions from any other type of tensor network states. The configuration-interaction information obtained serves several purposes. It yields a qualitatively correct description of the molecule's electronic structure, it allows us to analyze DMRG wave functions converged for the same molecular system but with different parameter sets (e.g., different numbers of active-system (block) states), and it can be considered a balanced reference for the application of a subsequent standard multi-reference configuration-interaction method.

Manifold Learning by Preserving Distance Orders.

PubMed

Ataer-Cansizoglu, Esra; Akcakaya, Murat; Orhan, Umut; Erdogmus, Deniz

2014-03-01

Nonlinear dimensionality reduction is essential for the analysis and the interpretation of high dimensional data sets. In this manuscript, we propose a distance order preserving manifold learning algorithm that extends the basic mean-squared error cost function used mainly in multidimensional scaling (MDS)-based methods. We develop a constrained optimization problem by assuming explicit constraints on the order of distances in the low-dimensional space. In this optimization problem, as a generalization of MDS, instead of forcing a linear relationship between the distances in the high-dimensional original and low-dimensional projection space, we learn a non-decreasing relation approximated by radial basis functions. We compare the proposed method with existing manifold learning algorithms using synthetic datasets based on the commonly used residual variance and proposed percentage of violated distance orders metrics. We also perform experiments on a retinal image dataset used in Retinopathy of Prematurity (ROP) diagnosis.

Sensor Drift Compensation Algorithm based on PDF Distance Minimization

NASA Astrophysics Data System (ADS)

Kim, Namyong; Byun, Hyung-Gi; Persaud, Krishna C.; Huh, Jeung-Soo

2009-05-01

In this paper, a new unsupervised classification algorithm is introduced for the compensation of sensor drift effects of the odor sensing system using a conducting polymer sensor array. The proposed method continues updating adaptive Radial Basis Function Network (RBFN) weights in the testing phase based on minimizing Euclidian Distance between two Probability Density Functions (PDFs) of a set of training phase output data and another set of testing phase output data. The output in the testing phase using the fixed weights of the RBFN are significantly dispersed and shifted from each target value due mostly to sensor drift effect. In the experimental results, the output data by the proposed methods are observed to be concentrated closer again to their own target values significantly. This indicates that the proposed method can be effectively applied to improved odor sensing system equipped with the capability of sensor drift effect compensation

Stable orthogonal local discriminant embedding for linear dimensionality reduction.

PubMed

Gao, Quanxue; Ma, Jingjie; Zhang, Hailin; Gao, Xinbo; Liu, Yamin

2013-07-01

Manifold learning is widely used in machine learning and pattern recognition. However, manifold learning only considers the similarity of samples belonging to the same class and ignores the within-class variation of data, which will impair the generalization and stableness of the algorithms. For this purpose, we construct an adjacency graph to model the intraclass variation that characterizes the most important properties, such as diversity of patterns, and then incorporate the diversity into the discriminant objective function for linear dimensionality reduction. Finally, we introduce the orthogonal constraint for the basis vectors and propose an orthogonal algorithm called stable orthogonal local discriminate embedding. Experimental results on several standard image databases demonstrate the effectiveness of the proposed dimensionality reduction approach.

Analysis of the Multi Strategy Goal Programming for Micro-Grid Based on Dynamic ant Genetic Algorithm

NASA Astrophysics Data System (ADS)

Qiu, J. P.; Niu, D. X.

Micro-grid is one of the key technologies of the future energy supplies. Take economic planning. reliability, and environmental protection of micro grid as a basis for the analysis of multi-strategy objective programming problems for micro grid which contains wind power, solar power, and battery and micro gas turbine. Establish the mathematical model of each power generation characteristics and energy dissipation. and change micro grid planning multi-objective function under different operating strategies to a single objective model based on AHP method. Example analysis shows that in combination with dynamic ant mixed genetic algorithm can get the optimal power output of this model.

A hybrid linear/nonlinear training algorithm for feedforward neural networks.

PubMed

McLoone, S; Brown, M D; Irwin, G; Lightbody, A

1998-01-01

This paper presents a new hybrid optimization strategy for training feedforward neural networks. The algorithm combines gradient-based optimization of nonlinear weights with singular value decomposition (SVD) computation of linear weights in one integrated routine. It is described for the multilayer perceptron (MLP) and radial basis function (RBF) networks and then extended to the local model network (LMN), a new feedforward structure in which a global nonlinear model is constructed from a set of locally valid submodels. Simulation results are presented demonstrating the superiority of the new hybrid training scheme compared to second-order gradient methods. It is particularly effective for the LMN architecture where the linear to nonlinear parameter ratio is large.

Supervised Machine Learning for Regionalization of Environmental Data: Distribution of Uranium in Groundwater in Ukraine

NASA Astrophysics Data System (ADS)

Govorov, Michael; Gienko, Gennady; Putrenko, Viktor

2018-05-01

In this paper, several supervised machine learning algorithms were explored to define homogeneous regions of con-centration of uranium in surface waters in Ukraine using multiple environmental parameters. The previous study was focused on finding the primary environmental parameters related to uranium in ground waters using several methods of spatial statistics and unsupervised classification. At this step, we refined the regionalization using Artifi-cial Neural Networks (ANN) techniques including Multilayer Perceptron (MLP), Radial Basis Function (RBF), and Convolutional Neural Network (CNN). The study is focused on building local ANN models which may significantly improve the prediction results of machine learning algorithms by taking into considerations non-stationarity and autocorrelation in spatial data.

Research on compressive sensing reconstruction algorithm based on total variation model

NASA Astrophysics Data System (ADS)

Gao, Yu-xuan; Sun, Huayan; Zhang, Tinghua; Du, Lin

2017-12-01

Compressed sensing for breakthrough Nyquist sampling theorem provides a strong theoretical , making compressive sampling for image signals be carried out simultaneously. In traditional imaging procedures using compressed sensing theory, not only can it reduces the storage space, but also can reduce the demand for detector resolution greatly. Using the sparsity of image signal, by solving the mathematical model of inverse reconfiguration, realize the super-resolution imaging. Reconstruction algorithm is the most critical part of compression perception, to a large extent determine the accuracy of the reconstruction of the image.The reconstruction algorithm based on the total variation (TV) model is more suitable for the compression reconstruction of the two-dimensional image, and the better edge information can be obtained. In order to verify the performance of the algorithm, Simulation Analysis the reconstruction result in different coding mode of the reconstruction algorithm based on the TV reconstruction algorithm. The reconstruction effect of the reconfigurable algorithm based on TV based on the different coding methods is analyzed to verify the stability of the algorithm. This paper compares and analyzes the typical reconstruction algorithm in the same coding mode. On the basis of the minimum total variation algorithm, the Augmented Lagrangian function term is added and the optimal value is solved by the alternating direction method.Experimental results show that the reconstruction algorithm is compared with the traditional classical algorithm based on TV has great advantages, under the low measurement rate can be quickly and accurately recovers target image.

Optimization of the transition path of the head hardening with using the genetic algorithms

NASA Astrophysics Data System (ADS)

Wróbel, Joanna; Kulawik, Adam

2016-06-01

An automated method of choice of the transition path of the head hardening in heat treatment process for the plane steel element is proposed in this communication. This method determines the points on the path of moving heat source using the genetic algorithms. The fitness function of the used algorithm is determined on the basis of effective stresses and yield point depending on the phase composition. The path of the hardening tool and also the area of the heat affected zone is determined on the basis of obtained points. A numerical model of thermal phenomena, phase transformations in the solid state and mechanical phenomena for the hardening process is implemented in order to verify the presented method. A finite element method (FEM) was used for solving the heat transfer equation and getting required temperature fields. The moving heat source is modeled with a Gaussian distribution and the water cooling is also included. The macroscopic model based on the analysis of the CCT and CHT diagrams of the medium-carbon steel is used to determine the phase transformations in the solid state. A finite element method is also used for solving the equilibrium equations giving us the stress field. The thermal and structural strains are taken into account in the constitutive relations.

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

Hamadneh, Nawaf; Sathasivam, Saratha; Choon, Ong Hong

Logic programming is the process that leads from an original formulation of a computing problem to executable programs. A normal logic program consists of a finite set of clauses. A valuation I of logic programming is a mapping from ground atoms to false or true. The single step operator of any logic programming is defined as a function (T{sub p}:I→I). Logic programming is well-suited to building the artificial intelligence systems. In this study, we established a new technique to compute the single step operators of logic programming in the radial basis function neural networks. To do that, we proposed amore » new technique to generate the training data sets of single step operators. The training data sets are used to build the neural networks. We used the recurrent radial basis function neural networks to get to the steady state (the fixed point of the operators). To improve the performance of the neural networks, we used the particle swarm optimization algorithm to train the networks.« less

Neural signatures of attention: insights from decoding population activity patterns.

PubMed

Sapountzis, Panagiotis; Gregoriou, Georgia G

2018-01-01

Understanding brain function and the computations that individual neurons and neuronal ensembles carry out during cognitive functions is one of the biggest challenges in neuroscientific research. To this end, invasive electrophysiological studies have provided important insights by recording the activity of single neurons in behaving animals. To average out noise, responses are typically averaged across repetitions and across neurons that are usually recorded on different days. However, the brain makes decisions on short time scales based on limited exposure to sensory stimulation by interpreting responses of populations of neurons on a moment to moment basis. Recent studies have employed machine-learning algorithms in attention and other cognitive tasks to decode the information content of distributed activity patterns across neuronal ensembles on a single trial basis. Here, we review results from studies that have used pattern-classification decoding approaches to explore the population representation of cognitive functions. These studies have offered significant insights into population coding mechanisms. Moreover, we discuss how such advances can aid the development of cognitive brain-computer interfaces.

Feasibility of an ultra-low power digital signal processor platform as a basis for a fully implantable brain-computer interface system.

PubMed

Wang, Po T; Gandasetiawan, Keulanna; McCrimmon, Colin M; Karimi-Bidhendi, Alireza; Liu, Charles Y; Heydari, Payam; Nenadic, Zoran; Do, An H

2016-08-01

A fully implantable brain-computer interface (BCI) can be a practical tool to restore independence to those affected by spinal cord injury. We envision that such a BCI system will invasively acquire brain signals (e.g. electrocorticogram) and translate them into control commands for external prostheses. The feasibility of such a system was tested by implementing its benchtop analogue, centered around a commercial, ultra-low power (ULP) digital signal processor (DSP, TMS320C5517, Texas Instruments). A suite of signal processing and BCI algorithms, including (de)multiplexing, Fast Fourier Transform, power spectral density, principal component analysis, linear discriminant analysis, Bayes rule, and finite state machine was implemented and tested in the DSP. The system's signal acquisition fidelity was tested and characterized by acquiring harmonic signals from a function generator. In addition, the BCI decoding performance was tested, first with signals from a function generator, and subsequently using human electroencephalogram (EEG) during eyes opening and closing task. On average, the system spent 322 ms to process and analyze 2 s of data. Crosstalk (<;-65 dB) and harmonic distortion (~1%) were minimal. Timing jitter averaged 49 μs per 1000 ms. The online BCI decoding accuracies were 100% for both function generator and EEG data. These results show that a complex BCI algorithm can be executed on an ULP DSP without compromising performance. This suggests that the proposed hardware platform may be used as a basis for future, fully implantable BCI systems.

Glycemic penalty index for adequately assessing and comparing different blood glucose control algorithms

PubMed Central

Van Herpe, Tom; De Brabanter, Jos; Beullens, Martine; De Moor, Bart; Van den Berghe, Greet

2008-01-01

Introduction Blood glucose (BG) control performed by intensive care unit (ICU) nurses is becoming standard practice for critically ill patients. New (semi-automated) 'BG control' algorithms (or 'insulin titration' algorithms) are under development, but these require stringent validation before they can replace the currently used algorithms. Existing methods for objectively comparing different insulin titration algorithms show weaknesses. In the current study, a new approach for appropriately assessing the adequacy of different algorithms is proposed. Methods Two ICU patient populations (with different baseline characteristics) were studied, both treated with a similar 'nurse-driven' insulin titration algorithm targeting BG levels of 80 to 110 mg/dl. A new method for objectively evaluating BG deviations from normoglycemia was founded on a smooth penalty function. Next, the performance of this new evaluation tool was compared with the current standard assessment methods, on an individual as well as a population basis. Finally, the impact of four selected parameters (the average BG sampling frequency, the duration of algorithm application, the severity of disease, and the type of illness) on the performance of an insulin titration algorithm was determined by multiple regression analysis. Results The glycemic penalty index (GPI) was proposed as a tool for assessing the overall glycemic control behavior in ICU patients. The GPI of a patient is the average of all penalties that are individually assigned to each measured BG value based on the optimized smooth penalty function. The computation of this index returns a number between 0 (no penalty) and 100 (the highest penalty). For some patients, the assessment of the BG control behavior using the traditional standard evaluation methods was different from the evaluation with GPI. Two parameters were found to have a significant impact on GPI: the BG sampling frequency and the duration of algorithm application. A higher BG sampling frequency and a longer algorithm application duration resulted in an apparently better performance, as indicated by a lower GPI. Conclusion The GPI is an alternative method for evaluating the performance of BG control algorithms. The blood glucose sampling frequency and the duration of algorithm application should be similar when comparing algorithms. PMID:18302732

Real-time restoration of white-light confocal microscope optical sections

PubMed Central

Balasubramanian, Madhusudhanan; Iyengar, S. Sitharama; Beuerman, Roger W.; Reynaud, Juan; Wolenski, Peter

2009-01-01

Confocal microscopes (CM) are routinely used for building 3-D images of microscopic structures. Nonideal imaging conditions in a white-light CM introduce additive noise and blur. The optical section images need to be restored prior to quantitative analysis. We present an adaptive noise filtering technique using Karhunen–Loéve expansion (KLE) by the method of snapshots and a ringing metric to quantify the ringing artifacts introduced in the images restored at various iterations of iterative Lucy–Richardson deconvolution algorithm. The KLE provides a set of basis functions that comprise the optimal linear basis for an ensemble of empirical observations. We show that most of the noise in the scene can be removed by reconstructing the images using the KLE basis vector with the largest eigenvalue. The prefiltering scheme presented is faster and does not require prior knowledge about image noise. Optical sections processed using the KLE prefilter can be restored using a simple inverse restoration algorithm; thus, the methodology is suitable for real-time image restoration applications. The KLE image prefilter outperforms the temporal-average prefilter in restoring CM optical sections. The ringing metric developed uses simple binary morphological operations to quantify the ringing artifacts and confirms with the visual observation of ringing artifacts in the restored images. PMID:20186290

ERBE Geographic Scene and Monthly Snow Data

NASA Technical Reports Server (NTRS)

Coleman, Lisa H.; Flug, Beth T.; Gupta, Shalini; Kizer, Edward A.; Robbins, John L.

1997-01-01

The Earth Radiation Budget Experiment (ERBE) is a multisatellite system designed to measure the Earth's radiation budget. The ERBE data processing system consists of several software packages or sub-systems, each designed to perform a particular task. The primary task of the Inversion Subsystem is to reduce satellite altitude radiances to fluxes at the top of the Earth's atmosphere. To accomplish this, angular distribution models (ADM's) are required. These ADM's are a function of viewing and solar geometry and of the scene type as determined by the ERBE scene identification algorithm which is a part of the Inversion Subsystem. The Inversion Subsystem utilizes 12 scene types which are determined by the ERBE scene identification algorithm. The scene type is found by combining the most probable cloud cover, which is determined statistically by the scene identification algorithm, with the underlying geographic scene type. This Contractor Report describes how the geographic scene type is determined on a monthly basis.

RBF neural network based PI pitch controller for a class of 5-MW wind turbines using particle swarm optimization algorithm.

PubMed

Poultangari, Iman; Shahnazi, Reza; Sheikhan, Mansour

2012-09-01

In order to control the pitch angle of blades in wind turbines, commonly the proportional and integral (PI) controller due to its simplicity and industrial usability is employed. The neural networks and evolutionary algorithms are tools that provide a suitable ground to determine the optimal PI gains. In this paper, a radial basis function (RBF) neural network based PI controller is proposed for collective pitch control (CPC) of a 5-MW wind turbine. In order to provide an optimal dataset to train the RBF neural network, particle swarm optimization (PSO) evolutionary algorithm is used. The proposed method does not need the complexities, nonlinearities and uncertainties of the system under control. The simulation results show that the proposed controller has satisfactory performance. Copyright © 2012 ISA. Published by Elsevier Ltd. All rights reserved.

Adaptive thresholding algorithm based on SAR images and wind data to segment oil spills along the northwest coast of the Iberian Peninsula.

PubMed

Mera, David; Cotos, José M; Varela-Pet, José; Garcia-Pineda, Oscar

2012-10-01

Satellite Synthetic Aperture Radar (SAR) has been established as a useful tool for detecting hydrocarbon spillage on the ocean's surface. Several surveillance applications have been developed based on this technology. Environmental variables such as wind speed should be taken into account for better SAR image segmentation. This paper presents an adaptive thresholding algorithm for detecting oil spills based on SAR data and a wind field estimation as well as its implementation as a part of a functional prototype. The algorithm was adapted to an important shipping route off the Galician coast (northwest Iberian Peninsula) and was developed on the basis of confirmed oil spills. Image testing revealed 99.93% pixel labelling accuracy. By taking advantage of multi-core processor architecture, the prototype was optimized to get a nearly 30% improvement in processing time. Copyright © 2012 Elsevier Ltd. All rights reserved.

Simulation of two-dimensional turbulent flows in a rotating annulus

NASA Astrophysics Data System (ADS)

Storey, Brian D.

2004-05-01

Rotating water tank experiments have been used to study fundamental processes of atmospheric and geophysical turbulence in a controlled laboratory setting. When these tanks are undergoing strong rotation the forced turbulent flow becomes highly two dimensional along the axis of rotation. An efficient numerical method has been developed for simulating the forced quasi-geostrophic equations in an annular geometry to model current laboratory experiments. The algorithm employs a spectral method with Fourier series and Chebyshev polynomials as basis functions. The algorithm has been implemented on a parallel architecture to allow modelling of a wide range of spatial scales over long integration times. This paper describes the derivation of the model equations, numerical method, testing and performance of the algorithm. Results provide reasonable agreement with the experimental data, indicating that such computations can be used as a predictive tool to design future experiments.

Accelerated computer generated holography using sparse bases in the STFT domain.

PubMed

Blinder, David; Schelkens, Peter

2018-01-22

Computer-generated holography at high resolutions is a computationally intensive task. Efficient algorithms are needed to generate holograms at acceptable speeds, especially for real-time and interactive applications such as holographic displays. We propose a novel technique to generate holograms using a sparse basis representation in the short-time Fourier space combined with a wavefront-recording plane placed in the middle of the 3D object. By computing the point spread functions in the transform domain, we update only a small subset of the precomputed largest-magnitude coefficients to significantly accelerate the algorithm over conventional look-up table methods. We implement the algorithm on a GPU, and report a speedup factor of over 30. We show that this transform is superior over wavelet-based approaches, and show quantitative and qualitative improvements over the state-of-the-art WASABI method; we report accuracy gains of 2dB PSNR, as well improved view preservation.

Cut set-based risk and reliability analysis for arbitrarily interconnected networks

DOEpatents

Wyss, Gregory D.

2000-01-01

Method for computing all-terminal reliability for arbitrarily interconnected networks such as the United States public switched telephone network. The method includes an efficient search algorithm to generate minimal cut sets for nonhierarchical networks directly from the network connectivity diagram. Efficiency of the search algorithm stems in part from its basis on only link failures. The method also includes a novel quantification scheme that likewise reduces computational effort associated with assessing network reliability based on traditional risk importance measures. Vast reductions in computational effort are realized since combinatorial expansion and subsequent Boolean reduction steps are eliminated through analysis of network segmentations using a technique of assuming node failures to occur on only one side of a break in the network, and repeating the technique for all minimal cut sets generated with the search algorithm. The method functions equally well for planar and non-planar networks.

A Family of Algorithms for Computing Consensus about Node State from Network Data

PubMed Central

Brush, Eleanor R.; Krakauer, David C.; Flack, Jessica C.

2013-01-01

Biological and social networks are composed of heterogeneous nodes that contribute differentially to network structure and function. A number of algorithms have been developed to measure this variation. These algorithms have proven useful for applications that require assigning scores to individual nodes–from ranking websites to determining critical species in ecosystems–yet the mechanistic basis for why they produce good rankings remains poorly understood. We show that a unifying property of these algorithms is that they quantify consensus in the network about a node's state or capacity to perform a function. The algorithms capture consensus by either taking into account the number of a target node's direct connections, and, when the edges are weighted, the uniformity of its weighted in-degree distribution (breadth), or by measuring net flow into a target node (depth). Using data from communication, social, and biological networks we find that that how an algorithm measures consensus–through breadth or depth– impacts its ability to correctly score nodes. We also observe variation in sensitivity to source biases in interaction/adjacency matrices: errors arising from systematic error at the node level or direct manipulation of network connectivity by nodes. Our results indicate that the breadth algorithms, which are derived from information theory, correctly score nodes (assessed using independent data) and are robust to errors. However, in cases where nodes “form opinions” about other nodes using indirect information, like reputation, depth algorithms, like Eigenvector Centrality, are required. One caveat is that Eigenvector Centrality is not robust to error unless the network is transitive or assortative. In these cases the network structure allows the depth algorithms to effectively capture breadth as well as depth. Finally, we discuss the algorithms' cognitive and computational demands. This is an important consideration in systems in which individuals use the collective opinions of others to make decisions. PMID:23874167

Spectral Anonymization of Data

PubMed Central

Lasko, Thomas A.; Vinterbo, Staal A.

2011-01-01

The goal of data anonymization is to allow the release of scientifically useful data in a form that protects the privacy of its subjects. This requires more than simply removing personal identifiers from the data, because an attacker can still use auxiliary information to infer sensitive individual information. Additional perturbation is necessary to prevent these inferences, and the challenge is to perturb the data in a way that preserves its analytic utility. No existing anonymization algorithm provides both perfect privacy protection and perfect analytic utility. We make the new observation that anonymization algorithms are not required to operate in the original vector-space basis of the data, and many algorithms can be improved by operating in a judiciously chosen alternate basis. A spectral basis derived from the data’s eigenvectors is one that can provide substantial improvement. We introduce the term spectral anonymization to refer to an algorithm that uses a spectral basis for anonymization, and we give two illustrative examples. We also propose new measures of privacy protection that are more general and more informative than existing measures, and a principled reference standard with which to define adequate privacy protection. PMID:21373375

Decoupled ARX and RBF Neural Network Modeling Using PCA and GA Optimization for Nonlinear Distributed Parameter Systems.

PubMed

Zhang, Ridong; Tao, Jili; Lu, Renquan; Jin, Qibing

2018-02-01

Modeling of distributed parameter systems is difficult because of their nonlinearity and infinite-dimensional characteristics. Based on principal component analysis (PCA), a hybrid modeling strategy that consists of a decoupled linear autoregressive exogenous (ARX) model and a nonlinear radial basis function (RBF) neural network model are proposed. The spatial-temporal output is first divided into a few dominant spatial basis functions and finite-dimensional temporal series by PCA. Then, a decoupled ARX model is designed to model the linear dynamics of the dominant modes of the time series. The nonlinear residual part is subsequently parameterized by RBFs, where genetic algorithm is utilized to optimize their hidden layer structure and the parameters. Finally, the nonlinear spatial-temporal dynamic system is obtained after the time/space reconstruction. Simulation results of a catalytic rod and a heat conduction equation demonstrate the effectiveness of the proposed strategy compared to several other methods.

An adaptive trajectory tracking control of four rotor hover vehicle using extended normalized radial basis function network

NASA Astrophysics Data System (ADS)

ul Amin, Rooh; Aijun, Li; Khan, Muhammad Umer; Shamshirband, Shahaboddin; Kamsin, Amirrudin

2017-01-01

In this paper, an adaptive trajectory tracking controller based on extended normalized radial basis function network (ENRBFN) is proposed for 3-degree-of-freedom four rotor hover vehicle subjected to external disturbance i.e. wind turbulence. Mathematical model of four rotor hover system is developed using equations of motions and a new computational intelligence based technique ENRBFN is introduced to approximate the unmodeled dynamics of the hover vehicle. The adaptive controller based on the Lyapunov stability approach is designed to achieve tracking of the desired attitude angles of four rotor hover vehicle in the presence of wind turbulence. The adaptive weight update based on the Levenberg-Marquardt algorithm is used to avoid weight drift in case the system is exposed to external disturbances. The closed-loop system stability is also analyzed using Lyapunov stability theory. Simulations and experimental results are included to validate the effectiveness of the proposed control scheme.

UAV Control on the Basis of 3D Landmark Bearing-Only Observations

PubMed Central

Karpenko, Simon; Konovalenko, Ivan; Miller, Alexander; Miller, Boris; Nikolaev, Dmitry

2015-01-01

The article presents an approach to the control of a UAV on the basis of 3D landmark observations. The novelty of the work is the usage of the 3D RANSAC algorithm developed on the basis of the landmarks’ position prediction with the aid of a modified Kalman-type filter. Modification of the filter based on the pseudo-measurements approach permits obtaining unbiased UAV position estimation with quadratic error characteristics. Modeling of UAV flight on the basis of the suggested algorithm shows good performance, even under significant external perturbations. PMID:26633394

Optimum Allocation of Water to the Cultivation Farms Using Genetic Algorithm

NASA Astrophysics Data System (ADS)

Saeidian, B.; Saadi Mesgari, M.; Ghodousi, M.

2015-12-01

The water scarcity crises in the world and specifically in Iran, requires the proper management of this valuable resource. According to the official reports, around 90 percent of the water in Iran is used for agriculture. Therefore, the adequate management and usage of water in this section can help significantly to overcome the above crises. The most important aspect of agricultural water management is related to the irrigation planning, which is basically an allocation problem. The proper allocation of water to the farms is not a simple and trivial problem, because of the limited amount of available water, the effect of different parameters, nonlinear characteristics of the objective function, and the wideness of the solution space. Usually To solve such complex problems, a meta-heuristic method such as genetic algorithm could be a good candidate. In this paper, Genetic Algorithm (GA) is used for the allocation of different amount of water to a number of farms. In this model, the amount of water transferable using canals of level one, in one period of irrigation is specified. In addition, the amount of water required by each farm is calculated using crop type, stage of crop development, and other parameters. Using these, the water production function of each farm is determined. Then, using the water production function, farm areas, and the revenue and cost of each crop type, the objective function is calculated. This objective function is used by GA for the allocation of water to the farms. The objective function is defined such that the economical profit extracted from all farms is maximized. Moreover, the limitation related to the amount of available water is considered as a constraint. In general, the total amount of allocated water should be less than the finally available water (the water transferred trough the level one canals). Because of the intensive scarcity of water, the deficit irrigation method are considered. In this method, the planning is on the basis of the optimum and limited allocation of water, and not on the basis of the each crop water requirement. According to the available literature, in the condition of water scarcity, the implementation of deficit irrigation strategy results in higher economical income. The main difference of this research with others is the allocation of water to the farms. Whilst, most of similar researches concentrate on the allocation of water to different water consumption sections (such as agriculture, industry etc.), networks and crops. Using the GA for the optimization of the water allocation, proper solutions were generated that maximize the total economical income in the entire study area. In addition, although the search space was considerably wide, the results of the implementation showed an adequate convergence speed. The repeatability test of the algorithm also proved that the algorithm is reasonably stable. In general the usage of GA algorithm can be considered as an efficient and trustable method for such irrigation planning problems. By optimum allocation of the water to the farms with different areas and crop types, and considering the deficit irrigation method, the general income of the entire area can be improved substantially.

A phase space approach to imaging from limited data

NASA Astrophysics Data System (ADS)

Testorf, Markus E.

2015-09-01

The optical instrument function is used as the basis to develop optical system theory for imaging applications. The detection of optical signals is conveniently described as the overlap integral of the Wigner distribution functions of instrument and optical signal. Based on this framework various optical imaging systems, including plenoptic cameras, phase-retrieval algorithms, and Shack-Hartman sensors are shown to acquire information about a domain in phase-space, with finite extension and finite resolution. It is demonstrated how phase space optics can be used both to analyze imaging systems, as well as for designing methods for image reconstruction.

Towards Seismic Tomography Based Upon Adjoint Methods

NASA Astrophysics Data System (ADS)

Tromp, J.; Liu, Q.; Tape, C.; Maggi, A.

2006-12-01

We outline the theory behind tomographic inversions based on 3D reference models, fully numerical 3D wave propagation, and adjoint methods. Our approach involves computing the Fréchet derivatives for tomographic inversions via the interaction between a forward wavefield, propagating from the source to the receivers, and an `adjoint' wavefield, propagating from the receivers back to the source. The forward wavefield is computed using a spectral-element method (SEM) and a heterogeneous wave-speed model, and stored as synthetic seismograms at particular receivers for which there is data. We specify an objective or misfit function that defines a measure of misfit between data and synthetics. For a given receiver, the differences between the data and the synthetics are time reversed and used as the source of the adjoint wavefield. For each earthquake, the interaction between the regular and adjoint wavefields is used to construct finite-frequency sensitivity kernels, which we call event kernel. These kernels may be thought of as weighted sums of measurement-specific banana-donut kernels, with weights determined by the measurements. The overall sensitivity is simply the sum of event kernels, which defines the misfit kernel. The misfit kernel is multiplied by convenient orthonormal basis functions that are embedded in the SEM code, resulting in the gradient of the misfit function, i.e., the Fréchet derivatives. The misfit kernel is multiplied by convenient orthonormal basis functions that are embedded in the SEM code, resulting in the gradient of the misfit function, i.e., the Fréchet derivatives. A conjugate gradient algorithm is used to iteratively improve the model while reducing the misfit function. Using 2D examples for Rayleigh wave phase-speed maps of southern California, we illustrate the construction of the gradient and the minimization algorithm, and consider various tomographic experiments, including source inversions, structural inversions, and joint source-structure inversions. We also illustrate the characteristics of these 3D finite-frequency kernels based upon adjoint simulations for a variety of global arrivals, e.g., Pdiff, P'P', and SKS, and we illustrate how the approach may be used to investigate body- and surface-wave anisotropy. In adjoint tomography any time segment in which the data and synthetics match reasonably well is suitable for measurement, and this implies a much greater number of phases per seismogram can be used compared to classical tomography in which the sensitivity of the measurements is determined analytically for specific arrivals, e.g., P. We use an automated picking algorithm based upon short-term/long-term averages and strict phase and amplitude anomaly criteria to determine arrivals and time windows suitable for measurement. For shallow global events the algorithm typically identifies of the order of 1000~windows suitable for measurement, whereas for a deep event the number can reach 4000. For southern California earthquakes the number of phases is of the order of 100 for a magnitude 4.0 event and up to 450 for a magnitude 5.0 event. We will show examples of event kernels for both global and regional earthquakes. These event kernels form the basis of adjoint tomography.

An estimation of distribution method for infrared target detection based on Copulas

NASA Astrophysics Data System (ADS)

Wang, Shuo; Zhang, Yiqun

2015-10-01

Track-before-detect (TBD) based target detection involves a hypothesis test of merit functions which measure each track as a possible target track. Its accuracy depends on the precision of the distribution of merit functions, which determines the threshold for a test. Generally, merit functions are regarded Gaussian, and on this basis the distribution is estimated, which is true for most methods such as the multiple hypothesis tracking (MHT). However, merit functions for some other methods such as the dynamic programming algorithm (DPA) are non-Guassian and cross-correlated. Since existing methods cannot reasonably measure the correlation, the exact distribution can hardly be estimated. If merit functions are assumed Guassian and independent, the error between an actual distribution and its approximation may occasionally over 30 percent, and is divergent by propagation. Hence, in this paper, we propose a novel estimation of distribution method based on Copulas, by which the distribution can be estimated precisely, where the error is less than 1 percent without propagation. Moreover, the estimation merely depends on the form of merit functions and the structure of a tracking algorithm, and is invariant to measurements. Thus, the distribution can be estimated in advance, greatly reducing the demand for real-time calculation of distribution functions.

An evaluation of scanpath-comparison and machine-learning classification algorithms used to study the dynamics of analogy making.

PubMed

French, Robert M; Glady, Yannick; Thibaut, Jean-Pierre

2017-08-01

In recent years, eyetracking has begun to be used to study the dynamics of analogy making. Numerous scanpath-comparison algorithms and machine-learning techniques are available that can be applied to the raw eyetracking data. We show how scanpath-comparison algorithms, combined with multidimensional scaling and a classification algorithm, can be used to resolve an outstanding question in analogy making-namely, whether or not children's and adults' strategies in solving analogy problems are different. (They are.) We show which of these scanpath-comparison algorithms is best suited to the kinds of analogy problems that have formed the basis of much analogy-making research over the years. Furthermore, we use machine-learning classification algorithms to examine the item-to-item saccade vectors making up these scanpaths. We show which of these algorithms best predicts, from very early on in a trial, on the basis of the frequency of various item-to-item saccades, whether a child or an adult is doing the problem. This type of analysis can also be used to predict, on the basis of the item-to-item saccade dynamics in the first third of a trial, whether or not a problem will be solved correctly.

A roadmap of clustering algorithms: finding a match for a biomedical application.

PubMed

Andreopoulos, Bill; An, Aijun; Wang, Xiaogang; Schroeder, Michael

2009-05-01

Clustering is ubiquitously applied in bioinformatics with hierarchical clustering and k-means partitioning being the most popular methods. Numerous improvements of these two clustering methods have been introduced, as well as completely different approaches such as grid-based, density-based and model-based clustering. For improved bioinformatics analysis of data, it is important to match clusterings to the requirements of a biomedical application. In this article, we present a set of desirable clustering features that are used as evaluation criteria for clustering algorithms. We review 40 different clustering algorithms of all approaches and datatypes. We compare algorithms on the basis of desirable clustering features, and outline algorithms' benefits and drawbacks as a basis for matching them to biomedical applications.

Autonomous Guidance Strategy for Spacecraft Formations and Reconfiguration Maneuvers

NASA Astrophysics Data System (ADS)

Wahl, Theodore P.

A guidance strategy for autonomous spacecraft formation reconfiguration maneuvers is presented. The guidance strategy is presented as an algorithm that solves the linked assignment and delivery problems. The assignment problem is the task of assigning the member spacecraft of the formation to their new positions in the desired formation geometry. The guidance algorithm uses an auction process (also called an "auction algorithm''), presented in the dissertation, to solve the assignment problem. The auction uses the estimated maneuver and time of flight costs between the spacecraft and targets to create assignments which minimize a specific "expense'' function for the formation. The delivery problem is the task of delivering the spacecraft to their assigned positions, and it is addressed through one of two guidance schemes described in this work. The first is a delivery scheme based on artificial potential function (APF) guidance. APF guidance uses the relative distances between the spacecraft, targets, and any obstacles to design maneuvers based on gradients of potential fields. The second delivery scheme is based on model predictive control (MPC); this method uses a model of the system dynamics to plan a series of maneuvers designed to minimize a unique cost function. The guidance algorithm uses an analytic linearized approximation of the relative orbital dynamics, the Yamanaka-Ankersen state transition matrix, in the auction process and in both delivery methods. The proposed guidance strategy is successful, in simulations, in autonomously assigning the members of the formation to new positions and in delivering the spacecraft to these new positions safely using both delivery methods. This guidance algorithm can serve as the basis for future autonomous guidance strategies for spacecraft formation missions.

Spectral CT metal artifact reduction with an optimization-based reconstruction algorithm

NASA Astrophysics Data System (ADS)

Gilat Schmidt, Taly; Barber, Rina F.; Sidky, Emil Y.

2017-03-01

Metal objects cause artifacts in computed tomography (CT) images. This work investigated the feasibility of a spectral CT method to reduce metal artifacts. Spectral CT acquisition combined with optimization-based reconstruction is proposed to reduce artifacts by modeling the physical effects that cause metal artifacts and by providing the flexibility to selectively remove corrupted spectral measurements in the spectral-sinogram space. The proposed Constrained `One-Step' Spectral CT Image Reconstruction (cOSSCIR) algorithm directly estimates the basis material maps while enforcing convex constraints. The incorporation of constraints on the reconstructed basis material maps is expected to mitigate undersampling effects that occur when corrupted data is excluded from reconstruction. The feasibility of the cOSSCIR algorithm to reduce metal artifacts was investigated through simulations of a pelvis phantom. The cOSSCIR algorithm was investigated with and without the use of a third basis material representing metal. The effects of excluding data corrupted by metal were also investigated. The results demonstrated that the proposed cOSSCIR algorithm reduced metal artifacts and improved CT number accuracy. For example, CT number error in a bright shading artifact region was reduced from 403 HU in the reference filtered backprojection reconstruction to 33 HU using the proposed algorithm in simulation. In the dark shading regions, the error was reduced from 1141 HU to 25 HU. Of the investigated approaches, decomposing the data into three basis material maps and excluding the corrupted data demonstrated the greatest reduction in metal artifacts.

Generalized source Finite Volume Method for radiative transfer equation in participating media

NASA Astrophysics Data System (ADS)

Zhang, Biao; Xu, Chuan-Long; Wang, Shi-Min

2017-03-01

Temperature monitoring is very important in a combustion system. In recent years, non-intrusive temperature reconstruction has been explored intensively on the basis of calculating arbitrary directional radiative intensities. In this paper, a new method named Generalized Source Finite Volume Method (GSFVM) was proposed. It was based on radiative transfer equation and Finite Volume Method (FVM). This method can be used to calculate arbitrary directional radiative intensities and is proven to be accurate and efficient. To verify the performance of this method, six test cases of 1D, 2D, and 3D radiative transfer problems were investigated. The numerical results show that the efficiency of this method is close to the radial basis function interpolation method, but the accuracy and stability is higher than that of the interpolation method. The accuracy of the GSFVM is similar to that of the Backward Monte Carlo (BMC) algorithm, while the time required by the GSFVM is much shorter than that of the BMC algorithm. Therefore, the GSFVM can be used in temperature reconstruction and improvement on the accuracy of the FVM.

Motion compensation for fully 4D PET reconstruction using PET superset data

NASA Astrophysics Data System (ADS)

Verhaeghe, J.; Gravel, P.; Mio, R.; Fukasawa, R.; Rosa-Neto, P.; Soucy, J.-P.; Thompson, C. J.; Reader, A. J.

2010-07-01

Fully 4D PET image reconstruction is receiving increasing research interest due to its ability to significantly reduce spatiotemporal noise in dynamic PET imaging. However, thus far in the literature, the important issue of correcting for subject head motion has not been considered. Specifically, as a direct consequence of using temporally extensive basis functions, a single instance of movement propagates to impair the reconstruction of multiple time frames, even if no further movement occurs in those frames. Existing 3D motion compensation strategies have not yet been adapted to 4D reconstruction, and as such the benefits of 4D algorithms have not yet been reaped in a clinical setting where head movement undoubtedly occurs. This work addresses this need, developing a motion compensation method suitable for fully 4D reconstruction methods which exploits an optical tracking system to measure the head motion along with PET superset data to store the motion compensated data. List-mode events are histogrammed as PET superset data according to the measured motion, and a specially devised normalization scheme for motion compensated reconstruction from the superset data is required. This work proceeds to propose the corresponding time-dependent normalization modifications which are required for a major class of fully 4D image reconstruction algorithms (those which use linear combinations of temporal basis functions). Using realistically simulated as well as real high-resolution PET data from the HRRT, we demonstrate both the detrimental impact of subject head motion in fully 4D PET reconstruction and the efficacy of our proposed modifications to 4D algorithms. Benefits are shown both for the individual PET image frames as well as for parametric images of tracer uptake and volume of distribution for 18F-FDG obtained from Patlak analysis.

Motion compensation for fully 4D PET reconstruction using PET superset data.

PubMed

Verhaeghe, J; Gravel, P; Mio, R; Fukasawa, R; Rosa-Neto, P; Soucy, J-P; Thompson, C J; Reader, A J

2010-07-21

Fully 4D PET image reconstruction is receiving increasing research interest due to its ability to significantly reduce spatiotemporal noise in dynamic PET imaging. However, thus far in the literature, the important issue of correcting for subject head motion has not been considered. Specifically, as a direct consequence of using temporally extensive basis functions, a single instance of movement propagates to impair the reconstruction of multiple time frames, even if no further movement occurs in those frames. Existing 3D motion compensation strategies have not yet been adapted to 4D reconstruction, and as such the benefits of 4D algorithms have not yet been reaped in a clinical setting where head movement undoubtedly occurs. This work addresses this need, developing a motion compensation method suitable for fully 4D reconstruction methods which exploits an optical tracking system to measure the head motion along with PET superset data to store the motion compensated data. List-mode events are histogrammed as PET superset data according to the measured motion, and a specially devised normalization scheme for motion compensated reconstruction from the superset data is required. This work proceeds to propose the corresponding time-dependent normalization modifications which are required for a major class of fully 4D image reconstruction algorithms (those which use linear combinations of temporal basis functions). Using realistically simulated as well as real high-resolution PET data from the HRRT, we demonstrate both the detrimental impact of subject head motion in fully 4D PET reconstruction and the efficacy of our proposed modifications to 4D algorithms. Benefits are shown both for the individual PET image frames as well as for parametric images of tracer uptake and volume of distribution for (18)F-FDG obtained from Patlak analysis.

Dynamic analysis of multirigid-body system based on the Gauss principle

NASA Astrophysics Data System (ADS)

Lilov, L.; Lorer, M.

Two different approaches can be used for solving the basic dynamic problem in the case of a multirigid body system. The first approach is based on the derivation of the nonlinear equations of motion of the mechanical system, while the second approach is concerned with the direct derivation of the unknown accelerations. Using the Gauss principle, the accelerations can be determined by using the condition for the minimum of a functional. The present investigation is concerned with an algorithm for a dynamical study of a multibody system on the basis of the Gauss principle. The system may contain an arbitrary number of closed loops. The main purpose of the proposed algorithm is the investigation of the dynamics of industrial manipulators, robots, and similar mechanisms.

An implementation of the QMR method based on coupled two-term recurrences

NASA Technical Reports Server (NTRS)

Freund, Roland W.; Nachtigal, Noeel M.

1992-01-01

The authors have proposed a new Krylov subspace iteration, the quasi-minimal residual algorithm (QMR), for solving non-Hermitian linear systems. In the original implementation of the QMR method, the Lanczos process with look-ahead is used to generate basis vectors for the underlying Krylov subspaces. In the Lanczos algorithm, these basis vectors are computed by means of three-term recurrences. It has been observed that, in finite precision arithmetic, vector iterations based on three-term recursions are usually less robust than mathematically equivalent coupled two-term vector recurrences. This paper presents a look-ahead algorithm that constructs the Lanczos basis vectors by means of coupled two-term recursions. Implementation details are given, and the look-ahead strategy is described. A new implementation of the QMR method, based on this coupled two-term algorithm, is described. A simplified version of the QMR algorithm without look-ahead is also presented, and the special case of QMR for complex symmetric linear systems is considered. Results of numerical experiments comparing the original and the new implementations of the QMR method are reported.

4D-PET reconstruction using a spline-residue model with spatial and temporal roughness penalties

NASA Astrophysics Data System (ADS)

Ralli, George P.; Chappell, Michael A.; McGowan, Daniel R.; Sharma, Ricky A.; Higgins, Geoff S.; Fenwick, John D.

2018-05-01

4D reconstruction of dynamic positron emission tomography (dPET) data can improve the signal-to-noise ratio in reconstructed image sequences by fitting smooth temporal functions to the voxel time-activity-curves (TACs) during the reconstruction, though the optimal choice of function remains an open question. We propose a spline-residue model, which describes TACs as weighted sums of convolutions of the arterial input function with cubic B-spline basis functions. Convolution with the input function constrains the spline-residue model at early time-points, potentially enhancing noise suppression in early time-frames, while still allowing a wide range of TAC descriptions over the entire imaged time-course, thus limiting bias. Spline-residue based 4D-reconstruction is compared to that of a conventional (non-4D) maximum a posteriori (MAP) algorithm, and to 4D-reconstructions based on adaptive-knot cubic B-splines, the spectral model and an irreversible two-tissue compartment (‘2C3K’) model. 4D reconstructions were carried out using a nested-MAP algorithm including spatial and temporal roughness penalties. The algorithms were tested using Monte-Carlo simulated scanner data, generated for a digital thoracic phantom with uptake kinetics based on a dynamic [18F]-Fluromisonidazole scan of a non-small cell lung cancer patient. For every algorithm, parametric maps were calculated by fitting each voxel TAC within a sub-region of the reconstructed images with the 2C3K model. Compared to conventional MAP reconstruction, spline-residue-based 4D reconstruction achieved  >50% improvements for five of the eight combinations of the four kinetics parameters for which parametric maps were created with the bias and noise measures used to analyse them, and produced better results for 5/8 combinations than any of the other reconstruction algorithms studied, while spectral model-based 4D reconstruction produced the best results for 2/8. 2C3K model-based 4D reconstruction generated the most biased parametric maps. Inclusion of a temporal roughness penalty function improved the performance of 4D reconstruction based on the cubic B-spline, spectral and spline-residue models.

Controlled wavelet domain sparsity for x-ray tomography

NASA Astrophysics Data System (ADS)

Purisha, Zenith; Rimpeläinen, Juho; Bubba, Tatiana; Siltanen, Samuli

2018-01-01

Tomographic reconstruction is an ill-posed inverse problem that calls for regularization. One possibility is to require sparsity of the unknown in an orthonormal wavelet basis. This, in turn, can be achieved by variational regularization, where the penalty term is the sum of the absolute values of the wavelet coefficients. The primal-dual fixed point algorithm showed that the minimizer of the variational regularization functional can be computed iteratively using a soft-thresholding operation. Choosing the soft-thresholding parameter \

Multi-modality image fusion based on enhanced fuzzy radial basis function neural networks.

PubMed

Chao, Zhen; Kim, Dohyeon; Kim, Hee-Joung

2018-04-01

In clinical applications, single modality images do not provide sufficient diagnostic information. Therefore, it is necessary to combine the advantages or complementarities of different modalities of images. Recently, neural network technique was applied to medical image fusion by many researchers, but there are still many deficiencies. In this study, we propose a novel fusion method to combine multi-modality medical images based on the enhanced fuzzy radial basis function neural network (Fuzzy-RBFNN), which includes five layers: input, fuzzy partition, front combination, inference, and output. Moreover, we propose a hybrid of the gravitational search algorithm (GSA) and error back propagation algorithm (EBPA) to train the network to update the parameters of the network. Two different patterns of images are used as inputs of the neural network, and the output is the fused image. A comparison with the conventional fusion methods and another neural network method through subjective observation and objective evaluation indexes reveals that the proposed method effectively synthesized the information of input images and achieved better results. Meanwhile, we also trained the network by using the EBPA and GSA, individually. The results reveal that the EBPGSA not only outperformed both EBPA and GSA, but also trained the neural network more accurately by analyzing the same evaluation indexes. Copyright © 2018 Associazione Italiana di Fisica Medica. Published by Elsevier Ltd. All rights reserved.

Advanced Discontinuous Galerkin Algorithms and First Open-Field Line Turbulence Simulations

NASA Astrophysics Data System (ADS)

Hammett, G. W.; Hakim, A.; Shi, E. L.

2016-10-01

New versions of Discontinuous Galerkin (DG) algorithms have interesting features that may help with challenging problems of higher-dimensional kinetic problems. We are developing the gyrokinetic code Gkeyll based on DG. DG also has features that may help with the next generation of Exascale computers. Higher-order methods do more FLOPS to extract more information per byte, thus reducing memory and communications costs (which are a bottleneck at exascale). DG uses efficient Gaussian quadrature like finite elements, but keeps the calculation local for the kinetic solver, also reducing communication. Sparse grid methods might further reduce the cost significantly in higher dimensions. The inner product norm can be chosen to preserve energy conservation with non-polynomial basis functions (such as Maxwellian-weighted bases), which can be viewed as a Petrov-Galerkin method. This allows a full- F code to benefit from similar Gaussian quadrature as used in popular δf gyrokinetic codes. Consistent basis functions avoid high-frequency numerical modes from electromagnetic terms. We will show our first results of 3 x + 2 v simulations of open-field line/SOL turbulence in a simple helical geometry (like Helimak/TORPEX), with parameters from LAPD, TORPEX, and NSTX. Supported by the Max-Planck/Princeton Center for Plasma Physics, the SciDAC Center for the Study of Plasma Microturbulence, and DOE Contract DE-AC02-09CH11466.

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

Yu, Kuang; Libisch, Florian; Carter, Emily A., E-mail: eac@princeton.edu

We report a new implementation of the density functional embedding theory (DFET) in the VASP code, using the projector-augmented-wave (PAW) formalism. Newly developed algorithms allow us to efficiently perform optimized effective potential optimizations within PAW. The new algorithm generates robust and physically correct embedding potentials, as we verified using several test systems including a covalently bound molecule, a metal surface, and bulk semiconductors. We show that with the resulting embedding potential, embedded cluster models can reproduce the electronic structure of point defects in bulk semiconductors, thereby demonstrating the validity of DFET in semiconductors for the first time. Compared to ourmore » previous version, the new implementation of DFET within VASP affords use of all features of VASP (e.g., a systematic PAW library, a wide selection of functionals, a more flexible choice of U correction formalisms, and faster computational speed) with DFET. Furthermore, our results are fairly robust with respect to both plane-wave and Gaussian type orbital basis sets in the embedded cluster calculations. This suggests that the density functional embedding method is potentially an accurate and efficient way to study properties of isolated defects in semiconductors.« less

Bayesian approach for peak detection in two-dimensional chromatography.

PubMed

Vivó-Truyols, Gabriel

2012-03-20

A new method for peak detection in two-dimensional chromatography is presented. In a first step, the method starts with a conventional one-dimensional peak detection algorithm to detect modulated peaks. In a second step, a sophisticated algorithm is constructed to decide which of the individual one-dimensional peaks have been originated from the same compound and should then be arranged in a two-dimensional peak. The merging algorithm is based on Bayesian inference. The user sets prior information about certain parameters (e.g., second-dimension retention time variability, first-dimension band broadening, chromatographic noise). On the basis of these priors, the algorithm calculates the probability of myriads of peak arrangements (i.e., ways of merging one-dimensional peaks), finding which of them holds the highest value. Uncertainty in each parameter can be accounted by adapting conveniently its probability distribution function, which in turn may change the final decision of the most probable peak arrangement. It has been demonstrated that the Bayesian approach presented in this paper follows the chromatographers' intuition. The algorithm has been applied and tested with LC × LC and GC × GC data and takes around 1 min to process chromatograms with several thousands of peaks.

A Parallel Decoding Algorithm for Short Polar Codes Based on Error Checking and Correcting

PubMed Central

Pan, Xiaofei; Pan, Kegang; Ye, Zhan; Gong, Chao

2014-01-01

We propose a parallel decoding algorithm based on error checking and correcting to improve the performance of the short polar codes. In order to enhance the error-correcting capacity of the decoding algorithm, we first derive the error-checking equations generated on the basis of the frozen nodes, and then we introduce the method to check the errors in the input nodes of the decoder by the solutions of these equations. In order to further correct those checked errors, we adopt the method of modifying the probability messages of the error nodes with constant values according to the maximization principle. Due to the existence of multiple solutions of the error-checking equations, we formulate a CRC-aided optimization problem of finding the optimal solution with three different target functions, so as to improve the accuracy of error checking. Besides, in order to increase the throughput of decoding, we use a parallel method based on the decoding tree to calculate probability messages of all the nodes in the decoder. Numerical results show that the proposed decoding algorithm achieves better performance than that of some existing decoding algorithms with the same code length. PMID:25540813

Adaptive prognosis of lithium-ion batteries based on the combination of particle filters and radial basis function neural networks

NASA Astrophysics Data System (ADS)

Sbarufatti, Claudio; Corbetta, Matteo; Giglio, Marco; Cadini, Francesco

2017-03-01

Lithium-Ion rechargeable batteries are widespread power sources with applications to consumer electronics, electrical vehicles, unmanned aerial and spatial vehicles, etc. The failure to supply the required power levels may lead to severe safety and economical consequences. Thus, in view of the implementation of adequate maintenance strategies, the development of diagnostic and prognostic tools for monitoring the state of health of the batteries and predicting their remaining useful life is becoming a crucial task. Here, we propose a method for predicting the end of discharge of Li-Ion batteries, which stems from the combination of particle filters with radial basis function neural networks. The major innovation lies in the fact that the radial basis function model is adaptively trained on-line, i.e., its parameters are identified in real time by the particle filter as new observations of the battery terminal voltage become available. By doing so, the prognostic algorithm achieves the flexibility needed to provide sound end-of-discharge time predictions as the charge-discharge cycles progress, even in presence of anomalous behaviors due to failures or unforeseen operating conditions. The method is demonstrated with reference to actual Li-Ion battery discharge data contained in the prognostics data repository of the NASA Ames Research Center database.

High-performance technology for indexing of high volumes of Earth remote sensing data

NASA Astrophysics Data System (ADS)

Strotov, Valery V.; Taganov, Alexander I.; Kolesenkov, Aleksandr N.; Kostrov, Boris V.

2017-10-01

The present paper has suggested a technology for search, indexing, cataloging and distribution of aerospace images on the basis of geo-information approach, cluster and spectral analysis. It has considered information and algorithmic support of the system. Functional circuit of the system and structure of the geographical data base have been developed on the basis of the geographical online portal technology. Taking into account heterogeneity of information obtained from various sources it is reasonable to apply a geoinformation platform that allows analyzing space location of objects and territories and executing complex processing of information. Geoinformation platform is based on cartographic fundamentals with the uniform coordinate system, the geographical data base, a set of algorithms and program modules for execution of various tasks. The technology for adding by particular users and companies of images taken by means of professional and amateur devices and also processed by various software tools to the array system has been suggested. Complex usage of visual and instrumental approaches allows significantly expanding an application area of Earth remote sensing data. Development and implementation of new algorithms based on the complex usage of new methods for processing of structured and unstructured data of high volumes will increase periodicity and rate of data updating. The paper has shown that application of original algorithms for search, indexing and cataloging of aerospace images will provide an easy access to information spread by hundreds of suppliers and allow increasing an access rate to aerospace images up to 5 times in comparison with current analogues.

Blocking reduction of Landsat Thematic Mapper JPEG browse images using optimal PSNR estimated spectra adaptive postfiltering

NASA Technical Reports Server (NTRS)

Linares, Irving; Mersereau, Russell M.; Smith, Mark J. T.

1994-01-01

Two representative sample images of Band 4 of the Landsat Thematic Mapper are compressed with the JPEG algorithm at 8:1, 16:1 and 24:1 Compression Ratios for experimental browsing purposes. We then apply the Optimal PSNR Estimated Spectra Adaptive Postfiltering (ESAP) algorithm to reduce the DCT blocking distortion. ESAP reduces the blocking distortion while preserving most of the image's edge information by adaptively postfiltering the decoded image using the block's spectral information already obtainable from each block's DCT coefficients. The algorithm iteratively applied a one dimensional log-sigmoid weighting function to the separable interpolated local block estimated spectra of the decoded image until it converges to the optimal PSNR with respect to the original using a 2-D steepest ascent search. Convergence is obtained in a few iterations for integer parameters. The optimal logsig parameters are transmitted to the decoder as a negligible byte of overhead data. A unique maxima is guaranteed due to the 2-D asymptotic exponential overshoot shape of the surface generated by the algorithm. ESAP is based on a DFT analysis of the DCT basis functions. It is implemented with pixel-by-pixel spatially adaptive separable FIR postfilters. PSNR objective improvements between 0.4 to 0.8 dB are shown together with their corresponding optimal PSNR adaptive postfiltered images.

Geometric modeling of subcellular structures, organelles, and multiprotein complexes

PubMed Central

Feng, Xin; Xia, Kelin; Tong, Yiying; Wei, Guo-Wei

2013-01-01

SUMMARY Recently, the structure, function, stability, and dynamics of subcellular structures, organelles, and multi-protein complexes have emerged as a leading interest in structural biology. Geometric modeling not only provides visualizations of shapes for large biomolecular complexes but also fills the gap between structural information and theoretical modeling, and enables the understanding of function, stability, and dynamics. This paper introduces a suite of computational tools for volumetric data processing, information extraction, surface mesh rendering, geometric measurement, and curvature estimation of biomolecular complexes. Particular emphasis is given to the modeling of cryo-electron microscopy data. Lagrangian-triangle meshes are employed for the surface presentation. On the basis of this representation, algorithms are developed for surface area and surface-enclosed volume calculation, and curvature estimation. Methods for volumetric meshing have also been presented. Because the technological development in computer science and mathematics has led to multiple choices at each stage of the geometric modeling, we discuss the rationales in the design and selection of various algorithms. Analytical models are designed to test the computational accuracy and convergence of proposed algorithms. Finally, we select a set of six cryo-electron microscopy data representing typical subcellular complexes to demonstrate the efficacy of the proposed algorithms in handling biomolecular surfaces and explore their capability of geometric characterization of binding targets. This paper offers a comprehensive protocol for the geometric modeling of subcellular structures, organelles, and multiprotein complexes. PMID:23212797

Optimization of the linear-scaling local natural orbital CCSD(T) method: Redundancy-free triples correction using Laplace transform.

PubMed

Nagy, Péter R; Kállay, Mihály

2017-06-07

An improved algorithm is presented for the evaluation of the (T) correction as a part of our local natural orbital (LNO) coupled-cluster singles and doubles with perturbative triples [LNO-CCSD(T)] scheme [Z. Rolik et al., J. Chem. Phys. 139, 094105 (2013)]. The new algorithm is an order of magnitude faster than our previous one and removes the bottleneck related to the calculation of the (T) contribution. First, a numerical Laplace transformed expression for the (T) fragment energy is introduced, which requires on average 3 to 4 times fewer floating point operations with negligible compromise in accuracy eliminating the redundancy among the evaluated triples amplitudes. Second, an additional speedup factor of 3 is achieved by the optimization of our canonical (T) algorithm, which is also executed in the local case. These developments can also be integrated into canonical as well as alternative fragmentation-based local CCSD(T) approaches with minor modifications. As it is demonstrated by our benchmark calculations, the evaluation of the new Laplace transformed (T) correction can always be performed if the preceding CCSD iterations are feasible, and the new scheme enables the computation of LNO-CCSD(T) correlation energies with at least triple-zeta quality basis sets for realistic three-dimensional molecules with more than 600 atoms and 12 000 basis functions in a matter of days on a single processor.

Optimization of the linear-scaling local natural orbital CCSD(T) method: Redundancy-free triples correction using Laplace transform

PubMed Central

2017-01-01

An improved algorithm is presented for the evaluation of the (T) correction as a part of our local natural orbital (LNO) coupled-cluster singles and doubles with perturbative triples [LNO-CCSD(T)] scheme [Z. Rolik et al., J. Chem. Phys. 139, 094105 (2013)]. The new algorithm is an order of magnitude faster than our previous one and removes the bottleneck related to the calculation of the (T) contribution. First, a numerical Laplace transformed expression for the (T) fragment energy is introduced, which requires on average 3 to 4 times fewer floating point operations with negligible compromise in accuracy eliminating the redundancy among the evaluated triples amplitudes. Second, an additional speedup factor of 3 is achieved by the optimization of our canonical (T) algorithm, which is also executed in the local case. These developments can also be integrated into canonical as well as alternative fragmentation-based local CCSD(T) approaches with minor modifications. As it is demonstrated by our benchmark calculations, the evaluation of the new Laplace transformed (T) correction can always be performed if the preceding CCSD iterations are feasible, and the new scheme enables the computation of LNO-CCSD(T) correlation energies with at least triple-zeta quality basis sets for realistic three-dimensional molecules with more than 600 atoms and 12 000 basis functions in a matter of days on a single processor. PMID:28576082

Fast-match on particle swarm optimization with variant system mechanism

NASA Astrophysics Data System (ADS)

Wang, Yuehuang; Fang, Xin; Chen, Jie

2018-03-01

Fast-Match is a fast and effective algorithm for approximate template matching under 2D affine transformations, which can match the target with maximum similarity without knowing the target gesture. It depends on the minimum Sum-of-Absolute-Differences (SAD) error to obtain the best affine transformation. The algorithm is widely used in the field of matching images because of its fastness and robustness. In this paper, our approach is to search an approximate affine transformation over Particle Swarm Optimization (PSO) algorithm. We treat each potential transformation as a particle that possesses memory function. Each particle is given a random speed and flows throughout the 2D affine transformation space. To accelerate the algorithm and improve the abilities of seeking the global excellent result, we have introduced the variant system mechanism on this basis. The benefit is that we can avoid matching with huge amount of potential transformations and falling into local optimal condition, so that we can use a few transformations to approximate the optimal solution. The experimental results prove that our method has a faster speed and a higher accuracy performance with smaller affine transformation space.

Ladar range image denoising by a nonlocal probability statistics algorithm

NASA Astrophysics Data System (ADS)

Xia, Zhi-Wei; Li, Qi; Xiong, Zhi-Peng; Wang, Qi

2013-01-01

According to the characteristic of range images of coherent ladar and the basis of nonlocal means (NLM), a nonlocal probability statistics (NLPS) algorithm is proposed in this paper. The difference is that NLM performs denoising using the mean of the conditional probability distribution function (PDF) while NLPS using the maximum of the marginal PDF. In the algorithm, similar blocks are found out by the operation of block matching and form a group. Pixels in the group are analyzed by probability statistics and the gray value with maximum probability is used as the estimated value of the current pixel. The simulated range images of coherent ladar with different carrier-to-noise ratio and real range image of coherent ladar with 8 gray-scales are denoised by this algorithm, and the results are compared with those of median filter, multitemplate order mean filter, NLM, median nonlocal mean filter and its incorporation of anatomical side information, and unsupervised information-theoretic adaptive filter. The range abnormality noise and Gaussian noise in range image of coherent ladar are effectively suppressed by NLPS.

A New Ensemble Canonical Correlation Prediction Scheme for Seasonal Precipitation

NASA Technical Reports Server (NTRS)

Kim, Kyu-Myong; Lau, William K. M.; Li, Guilong; Shen, Samuel S. P.; Lau, William K. M. (Technical Monitor)

2001-01-01

Department of Mathematical Sciences, University of Alberta, Edmonton, Canada This paper describes the fundamental theory of the ensemble canonical correlation (ECC) algorithm for the seasonal climate forecasting. The algorithm is a statistical regression sch eme based on maximal correlation between the predictor and predictand. The prediction error is estimated by a spectral method using the basis of empirical orthogonal functions. The ECC algorithm treats the predictors and predictands as continuous fields and is an improvement from the traditional canonical correlation prediction. The improvements include the use of area-factor, estimation of prediction error, and the optimal ensemble of multiple forecasts. The ECC is applied to the seasonal forecasting over various parts of the world. The example presented here is for the North America precipitation. The predictor is the sea surface temperature (SST) from different ocean basins. The Climate Prediction Center's reconstructed SST (1951-1999) is used as the predictor's historical data. The optimally interpolated global monthly precipitation is used as the predictand?s historical data. Our forecast experiments show that the ECC algorithm renders very high skill and the optimal ensemble is very important to the high value.

A global reaction route mapping-based kinetic Monte Carlo algorithm

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

Mitchell, Izaac; Page, Alister J., E-mail: sirle@chem.nagoya-u.ac.jp, E-mail: alister.page@newcastle.edu.au; Irle, Stephan, E-mail: sirle@chem.nagoya-u.ac.jp, E-mail: alister.page@newcastle.edu.au

2016-07-14

We propose a new on-the-fly kinetic Monte Carlo (KMC) method that is based on exhaustive potential energy surface searching carried out with the global reaction route mapping (GRRM) algorithm. Starting from any given equilibrium state, this GRRM-KMC algorithm performs a one-step GRRM search to identify all surrounding transition states. Intrinsic reaction coordinate pathways are then calculated to identify potential subsequent equilibrium states. Harmonic transition state theory is used to calculate rate constants for all potential pathways, before a standard KMC accept/reject selection is performed. The selected pathway is then used to propagate the system forward in time, which is calculatedmore » on the basis of 1st order kinetics. The GRRM-KMC algorithm is validated here in two challenging contexts: intramolecular proton transfer in malonaldehyde and surface carbon diffusion on an iron nanoparticle. We demonstrate that in both cases the GRRM-KMC method is capable of reproducing the 1st order kinetics observed during independent quantum chemical molecular dynamics simulations using the density-functional tight-binding potential.« less

Decomposing Time Series Data by a Non-negative Matrix Factorization Algorithm with Temporally Constrained Coefficients

PubMed Central

Cheung, Vincent C. K.; Devarajan, Karthik; Severini, Giacomo; Turolla, Andrea; Bonato, Paolo

2017-01-01

The non-negative matrix factorization algorithm (NMF) decomposes a data matrix into a set of non-negative basis vectors, each scaled by a coefficient. In its original formulation, the NMF assumes the data samples and dimensions to be independently distributed, making it a less-than-ideal algorithm for the analysis of time series data with temporal correlations. Here, we seek to derive an NMF that accounts for temporal dependencies in the data by explicitly incorporating a very simple temporal constraint for the coefficients into the NMF update rules. We applied the modified algorithm to 2 multi-dimensional electromyographic data sets collected from the human upper-limb to identify muscle synergies. We found that because it reduced the number of free parameters in the model, our modified NMF made it possible to use the Akaike Information Criterion to objectively identify a model order (i.e., the number of muscle synergies composing the data) that is more functionally interpretable, and closer to the numbers previously determined using ad hoc measures. PMID:26737046

Feature Detection and Curve Fitting Using Fast Walsh Transforms for Shock Tracking: Applications

NASA Technical Reports Server (NTRS)

Gnoffo, Peter A.

2017-01-01

Walsh functions form an orthonormal basis set consisting of square waves. Square waves make the system well suited for detecting and representing functions with discontinuities. Given a uniform distribution of 2p cells on a one-dimensional element, it has been proven that the inner product of the Walsh Root function for group p with every polynomial of degree < or = (p - 1) across the element is identically zero. It has also been proven that the magnitude and location of a discontinuous jump, as represented by a Heaviside function, are explicitly identified by its Fast Walsh Transform (FWT) coefficients. These two proofs enable an algorithm that quickly provides a Weighted Least Squares fit to distributions across the element that include a discontinuity. The detection of a discontinuity enables analytic relations to locally describe its evolution and provide increased accuracy. Time accurate examples are provided for advection, Burgers equation, and Riemann problems (diaphragm burst) in closed tubes and de Laval nozzles. New algorithms to detect up to two C0 and/or C1 discontinuities within a single element are developed for application to the Riemann problem, in which a contact discontinuity and shock wave form after the diaphragm bursts.

Development of hybrid genetic-algorithm-based neural networks using regression trees for modeling air quality inside a public transportation bus.

PubMed

Kadiyala, Akhil; Kaur, Devinder; Kumar, Ashok

2013-02-01

The present study developed a novel approach to modeling indoor air quality (IAQ) of a public transportation bus by the development of hybrid genetic-algorithm-based neural networks (also known as evolutionary neural networks) with input variables optimized from using the regression trees, referred as the GART approach. This study validated the applicability of the GART modeling approach in solving complex nonlinear systems by accurately predicting the monitored contaminants of carbon dioxide (CO2), carbon monoxide (CO), nitric oxide (NO), sulfur dioxide (SO2), 0.3-0.4 microm sized particle numbers, 0.4-0.5 microm sized particle numbers, particulate matter (PM) concentrations less than 1.0 microm (PM10), and PM concentrations less than 2.5 microm (PM2.5) inside a public transportation bus operating on 20% grade biodiesel in Toledo, OH. First, the important variables affecting each monitored in-bus contaminant were determined using regression trees. Second, the analysis of variance was used as a complimentary sensitivity analysis to the regression tree results to determine a subset of statistically significant variables affecting each monitored in-bus contaminant. Finally, the identified subsets of statistically significant variables were used as inputs to develop three artificial neural network (ANN) models. The models developed were regression tree-based back-propagation network (BPN-RT), regression tree-based radial basis function network (RBFN-RT), and GART models. Performance measures were used to validate the predictive capacity of the developed IAQ models. The results from this approach were compared with the results obtained from using a theoretical approach and a generalized practicable approach to modeling IAQ that included the consideration of additional independent variables when developing the aforementioned ANN models. The hybrid GART models were able to capture majority of the variance in the monitored in-bus contaminants. The genetic-algorithm-based neural network IAQ models outperformed the traditional ANN methods of the back-propagation and the radial basis function networks. The novelty of this research is the development of a novel approach to modeling vehicular indoor air quality by integration of the advanced methods of genetic algorithms, regression trees, and the analysis of variance for the monitored in-vehicle gaseous and particulate matter contaminants, and comparing the results obtained from using the developed approach with conventional artificial intelligence techniques of back propagation networks and radial basis function networks. This study validated the newly developed approach using holdout and threefold cross-validation methods. These results are of great interest to scientists, researchers, and the public in understanding the various aspects of modeling an indoor microenvironment. This methodology can easily be extended to other fields of study also.

High Resolution Image Reconstruction from Projection of Low Resolution Images DIffering in Subpixel Shifts

NASA Technical Reports Server (NTRS)

Mareboyana, Manohar; Le Moigne-Stewart, Jacqueline; Bennett, Jerome

2016-01-01

In this paper, we demonstrate a simple algorithm that projects low resolution (LR) images differing in subpixel shifts on a high resolution (HR) also called super resolution (SR) grid. The algorithm is very effective in accuracy as well as time efficiency. A number of spatial interpolation techniques using nearest neighbor, inverse-distance weighted averages, Radial Basis Functions (RBF) etc. used in projection yield comparable results. For best accuracy of reconstructing SR image by a factor of two requires four LR images differing in four independent subpixel shifts. The algorithm has two steps: i) registration of low resolution images and (ii) shifting the low resolution images to align with reference image and projecting them on high resolution grid based on the shifts of each low resolution image using different interpolation techniques. Experiments are conducted by simulating low resolution images by subpixel shifts and subsampling of original high resolution image and the reconstructing the high resolution images from the simulated low resolution images. The results of accuracy of reconstruction are compared by using mean squared error measure between original high resolution image and reconstructed image. The algorithm was tested on remote sensing images and found to outperform previously proposed techniques such as Iterative Back Projection algorithm (IBP), Maximum Likelihood (ML), and Maximum a posterior (MAP) algorithms. The algorithm is robust and is not overly sensitive to the registration inaccuracies.

Chemical application of diffusion quantum Monte Carlo

NASA Technical Reports Server (NTRS)

Reynolds, P. J.; Lester, W. A., Jr.

1984-01-01

The diffusion quantum Monte Carlo (QMC) method gives a stochastic solution to the Schroedinger equation. This approach is receiving increasing attention in chemical applications as a result of its high accuracy. However, reducing statistical uncertainty remains a priority because chemical effects are often obtained as small differences of large numbers. As an example, the single-triplet splitting of the energy of the methylene molecule CH sub 2 is given. The QMC algorithm was implemented on the CYBER 205, first as a direct transcription of the algorithm running on the VAX 11/780, and second by explicitly writing vector code for all loops longer than a crossover length C. The speed of the codes relative to one another as a function of C, and relative to the VAX, are discussed. The computational time dependence obtained versus the number of basis functions is discussed and this is compared with that obtained from traditional quantum chemistry codes and that obtained from traditional computer architectures.

Discontinuous Galerkin algorithms for fully kinetic plasmas

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

Juno, J.; Hakim, A.; TenBarge, J.

Here, we present a new algorithm for the discretization of the non-relativistic Vlasov–Maxwell system of equations for the study of plasmas in the kinetic regime. Using the discontinuous Galerkin finite element method for the spatial discretization, we obtain a high order accurate solution for the plasma's distribution function. Time stepping for the distribution function is done explicitly with a third order strong-stability preserving Runge–Kutta method. Since the Vlasov equation in the Vlasov–Maxwell system is a high dimensional transport equation, up to six dimensions plus time, we take special care to note various features we have implemented to reduce the costmore » while maintaining the integrity of the solution, including the use of a reduced high-order basis set. A series of benchmarks, from simple wave and shock calculations, to a five dimensional turbulence simulation, are presented to verify the efficacy of our set of numerical methods, as well as demonstrate the power of the implemented features.« less

Discontinuous Galerkin algorithms for fully kinetic plasmas

DOE PAGES

Juno, J.; Hakim, A.; TenBarge, J.; ...

2017-10-10

Here, we present a new algorithm for the discretization of the non-relativistic Vlasov–Maxwell system of equations for the study of plasmas in the kinetic regime. Using the discontinuous Galerkin finite element method for the spatial discretization, we obtain a high order accurate solution for the plasma's distribution function. Time stepping for the distribution function is done explicitly with a third order strong-stability preserving Runge–Kutta method. Since the Vlasov equation in the Vlasov–Maxwell system is a high dimensional transport equation, up to six dimensions plus time, we take special care to note various features we have implemented to reduce the costmore » while maintaining the integrity of the solution, including the use of a reduced high-order basis set. A series of benchmarks, from simple wave and shock calculations, to a five dimensional turbulence simulation, are presented to verify the efficacy of our set of numerical methods, as well as demonstrate the power of the implemented features.« less

The Evolution of Random Number Generation in MUVES

DTIC Science & Technology

2017-01-01

mathematical basis and statistical justification for algorithms used in the code. The working code provided produces results identical to the current...MUVES, includ- ing the mathematical basis and statistical justification for algorithms used in the code. The working code provided produces results...questionable numerical and statistical properties. The development of the modern system is traced through software change requests, resulting in a random number

Mutual connectivity analysis (MCA) using generalized radial basis function neural networks for nonlinear functional connectivity network recovery in resting-state functional MRI

NASA Astrophysics Data System (ADS)

D'Souza, Adora M.; Abidin, Anas Zainul; Nagarajan, Mahesh B.; Wismüller, Axel

2016-03-01

We investigate the applicability of a computational framework, called mutual connectivity analysis (MCA), for directed functional connectivity analysis in both synthetic and resting-state functional MRI data. This framework comprises of first evaluating non-linear cross-predictability between every pair of time series prior to recovering the underlying network structure using community detection algorithms. We obtain the non-linear cross-prediction score between time series using Generalized Radial Basis Functions (GRBF) neural networks. These cross-prediction scores characterize the underlying functionally connected networks within the resting brain, which can be extracted using non-metric clustering approaches, such as the Louvain method. We first test our approach on synthetic models with known directional influence and network structure. Our method is able to capture the directional relationships between time series (with an area under the ROC curve = 0.92 +/- 0.037) as well as the underlying network structure (Rand index = 0.87 +/- 0.063) with high accuracy. Furthermore, we test this method for network recovery on resting-state fMRI data, where results are compared to the motor cortex network recovered from a motor stimulation sequence, resulting in a strong agreement between the two (Dice coefficient = 0.45). We conclude that our MCA approach is effective in analyzing non-linear directed functional connectivity and in revealing underlying functional network structure in complex systems.

Mutual Connectivity Analysis (MCA) Using Generalized Radial Basis Function Neural Networks for Nonlinear Functional Connectivity Network Recovery in Resting-State Functional MRI.

PubMed

DSouza, Adora M; Abidin, Anas Zainul; Nagarajan, Mahesh B; Wismüller, Axel

2016-03-29

We investigate the applicability of a computational framework, called mutual connectivity analysis (MCA), for directed functional connectivity analysis in both synthetic and resting-state functional MRI data. This framework comprises of first evaluating non-linear cross-predictability between every pair of time series prior to recovering the underlying network structure using community detection algorithms. We obtain the non-linear cross-prediction score between time series using Generalized Radial Basis Functions (GRBF) neural networks. These cross-prediction scores characterize the underlying functionally connected networks within the resting brain, which can be extracted using non-metric clustering approaches, such as the Louvain method. We first test our approach on synthetic models with known directional influence and network structure. Our method is able to capture the directional relationships between time series (with an area under the ROC curve = 0.92 ± 0.037) as well as the underlying network structure (Rand index = 0.87 ± 0.063) with high accuracy. Furthermore, we test this method for network recovery on resting-state fMRI data, where results are compared to the motor cortex network recovered from a motor stimulation sequence, resulting in a strong agreement between the two (Dice coefficient = 0.45). We conclude that our MCA approach is effective in analyzing non-linear directed functional connectivity and in revealing underlying functional network structure in complex systems.

Sequential neural text compression.

PubMed

Schmidhuber, J; Heil, S

1996-01-01

The purpose of this paper is to show that neural networks may be promising tools for data compression without loss of information. We combine predictive neural nets and statistical coding techniques to compress text files. We apply our methods to certain short newspaper articles and obtain compression ratios exceeding those of the widely used Lempel-Ziv algorithms (which build the basis of the UNIX functions "compress" and "gzip"). The main disadvantage of our methods is that they are about three orders of magnitude slower than standard methods.

Perceptual Optimization of DCT Color Quantization Matrices

NASA Technical Reports Server (NTRS)

Watson, Andrew B.; Statler, Irving C. (Technical Monitor)

1994-01-01

Many image compression schemes employ a block Discrete Cosine Transform (DCT) and uniform quantization. Acceptable rate/distortion performance depends upon proper design of the quantization matrix. In previous work, we showed how to use a model of the visibility of DCT basis functions to design quantization matrices for arbitrary display resolutions and color spaces. Subsequently, we showed how to optimize greyscale quantization matrices for individual images, for optimal rate/perceptual distortion performance. Here we describe extensions of this optimization algorithm to color images.

Automatic control of solar power plants

NASA Astrophysics Data System (ADS)

Ermakov, V. S.; Dubilovich, V. M.

1982-02-01

The automatic control of the heliostat field of a 200-MW solar power plant is discussed. The advantages of the decentralized control principle with the solution of a number of individual problems in a single control center are emphasized. The basic requirements on heliostat construction are examined, and possible functional schemes for the automatic control of a heliostat field are described. It is proposed that groups of heliostats can be controlled from a single center and on the basis of a single algorithm.

Parallel algorithms for simulating continuous time Markov chains

NASA Technical Reports Server (NTRS)

Nicol, David M.; Heidelberger, Philip

1992-01-01

We have previously shown that the mathematical technique of uniformization can serve as the basis of synchronization for the parallel simulation of continuous-time Markov chains. This paper reviews the basic method and compares five different methods based on uniformization, evaluating their strengths and weaknesses as a function of problem characteristics. The methods vary in their use of optimism, logical aggregation, communication management, and adaptivity. Performance evaluation is conducted on the Intel Touchstone Delta multiprocessor, using up to 256 processors.

A new implementation of the CMRH method for solving dense linear systems

NASA Astrophysics Data System (ADS)

Heyouni, M.; Sadok, H.

2008-04-01

The CMRH method [H. Sadok, Methodes de projections pour les systemes lineaires et non lineaires, Habilitation thesis, University of Lille1, Lille, France, 1994; H. Sadok, CMRH: A new method for solving nonsymmetric linear systems based on the Hessenberg reduction algorithm, Numer. Algorithms 20 (1999) 303-321] is an algorithm for solving nonsymmetric linear systems in which the Arnoldi component of GMRES is replaced by the Hessenberg process, which generates Krylov basis vectors which are orthogonal to standard unit basis vectors rather than mutually orthogonal. The iterate is formed from these vectors by solving a small least squares problem involving a Hessenberg matrix. Like GMRES, this method requires one matrix-vector product per iteration. However, it can be implemented to require half as much arithmetic work and less storage. Moreover, numerical experiments show that this method performs accurately and reduces the residual about as fast as GMRES. With this new implementation, we show that the CMRH method is the only method with long-term recurrence which requires not storing at the same time the entire Krylov vectors basis and the original matrix as in the GMRES algorithmE A comparison with Gaussian elimination is provided.

The Algorithm Theoretical Basis Document for the GLAS Atmospheric Data Products

NASA Technical Reports Server (NTRS)

Palm, Stephen P.; Hart, William D.; Hlavka, Dennis L.; Welton, Ellsworth J.; Spinhirne, James D.

2012-01-01

The purpose of this document is to present a detailed description of the algorithm theoretical basis for each of the GLAS data products. This will be the final version of this document. The algorithms were initially designed and written based on the authors prior experience with high altitude lidar data on systems such as the Cloud and Aerosol Lidar System (CALS) and the Cloud Physics Lidar (CPL), both of which fly on the NASA ER-2 high altitude aircraft. These lidar systems have been employed in many field experiments around the world and algorithms have been developed to analyze these data for a number of atmospheric parameters. CALS data have been analyzed for cloud top height, thin cloud optical depth, cirrus cloud emittance (Spinhirne and Hart, 1990) and boundary layer depth (Palm and Spinhirne, 1987, 1998). The successor to CALS, the CPL, has also been extensively deployed in field missions since 2000 including the validation of GLAS and CALIPSO. The CALS and early CPL data sets also served as the basis for the construction of simulated GLAS data sets which were then used to develop and test the GLAS analysis algorithms.

A divide-conquer-recombine algorithmic paradigm for large spatiotemporal quantum molecular dynamics simulations

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

Shimojo, Fuyuki; Hattori, Shinnosuke; Department of Physics, Kumamoto University, Kumamoto 860-8555

We introduce an extension of the divide-and-conquer (DC) algorithmic paradigm called divide-conquer-recombine (DCR) to perform large quantum molecular dynamics (QMD) simulations on massively parallel supercomputers, in which interatomic forces are computed quantum mechanically in the framework of density functional theory (DFT). In DCR, the DC phase constructs globally informed, overlapping local-domain solutions, which in the recombine phase are synthesized into a global solution encompassing large spatiotemporal scales. For the DC phase, we design a lean divide-and-conquer (LDC) DFT algorithm, which significantly reduces the prefactor of the O(N) computational cost for N electrons by applying a density-adaptive boundary condition at themore » peripheries of the DC domains. Our globally scalable and locally efficient solver is based on a hybrid real-reciprocal space approach that combines: (1) a highly scalable real-space multigrid to represent the global charge density; and (2) a numerically efficient plane-wave basis for local electronic wave functions and charge density within each domain. Hybrid space-band decomposition is used to implement the LDC-DFT algorithm on parallel computers. A benchmark test on an IBM Blue Gene/Q computer exhibits an isogranular parallel efficiency of 0.984 on 786 432 cores for a 50.3 × 10{sup 6}-atom SiC system. As a test of production runs, LDC-DFT-based QMD simulation involving 16 661 atoms is performed on the Blue Gene/Q to study on-demand production of hydrogen gas from water using LiAl alloy particles. As an example of the recombine phase, LDC-DFT electronic structures are used as a basis set to describe global photoexcitation dynamics with nonadiabatic QMD (NAQMD) and kinetic Monte Carlo (KMC) methods. The NAQMD simulations are based on the linear response time-dependent density functional theory to describe electronic excited states and a surface-hopping approach to describe transitions between the excited states. A series of techniques are employed for efficiently calculating the long-range exact exchange correction and excited-state forces. The NAQMD trajectories are analyzed to extract the rates of various excitonic processes, which are then used in KMC simulation to study the dynamics of the global exciton flow network. This has allowed the study of large-scale photoexcitation dynamics in 6400-atom amorphous molecular solid, reaching the experimental time scales.« less

A preliminary assessment of the Nimbus-7 CZCS atmospheric correction algorithm in a horizontally inhomogeneous atmosphere. [Coastal Zone Color Scanner

NASA Technical Reports Server (NTRS)

Gordon, H. R.

1981-01-01

For an estimation of the concentration of phytoplankton pigments in the oceans on the basis of Nimbus-7 CZCS imagery, it is necessary to remove the effects of the intervening atmosphere from the satellite imagery. The principle effect of the atmosphere is a loss in contrast caused by the addition of a substantial amount of radiance (path radiance) to that scatttered out of the water. Gordon (1978) has developed a technique which shows considerable promise for removal of these atmospheric effects. Attention is given to the correction algorithm, and its application to CZCS imagery. An alternate method under study for affecting the atmospheric correction requires a knowledge of 'clear water' subsurface upwelled radiance as a function of solar angle and pigment concentration.

Absolute configuration of (-)-myrtenal by vibrational circular dichroism.

PubMed

Burgueño-Tapia, Eleuterio; Zepeda, L Gerardo; Joseph-Nathan, Pedro

2010-07-01

The VCD spectrum of the monoterpene (-)-myrtenal (1) was compared with theoretical spectra using ab initio density functional theory (DFT) calculations at the B3LYP/6-31G(d,p), B3LYP/6-31G+(d,p), B3LYP/6-311G+(d,p), B3LYP/DGDZVP, and B3PW91/DGTZVP levels of theory. Conformational analysis of 1 indicated that the lowest energy conformer was s-trans-C2-C10, which contributes more than 98.5% to the total conformational population regardless of the employed level of theory. The use of a recently developed confidence level algorithm demonstrated that VCD spectra calculated for the main conformer, using the indicated hybrid functionals and basis set, gave no significant changes, from where it follows that B3LYP/DGDZVP calculations provide a superior balance between computer cost and VCD spectral accuracy. The DGDZVP basis set demanded around a quarter the time than the 6-311G+(d,p) basis set while providing similar results. The spectral comparison also provided evidence that the levorotatory enantiomer of myrtenal has the 1R absolute configuration. 2010 Elsevier Ltd. All rights reserved.

A novel surface registration algorithm with biomedical modeling applications.

PubMed

Huang, Heng; Shen, Li; Zhang, Rong; Makedon, Fillia; Saykin, Andrew; Pearlman, Justin

2007-07-01

In this paper, we propose a novel surface matching algorithm for arbitrarily shaped but simply connected 3-D objects. The spherical harmonic (SPHARM) method is used to describe these 3-D objects, and a novel surface registration approach is presented. The proposed technique is applied to various applications of medical image analysis. The results are compared with those using the traditional method, in which the first-order ellipsoid is used for establishing surface correspondence and aligning objects. In these applications, our surface alignment method is demonstrated to be more accurate and flexible than the traditional approach. This is due in large part to the fact that a new surface parameterization is generated by a shortcut that employs a useful rotational property of spherical harmonic basis functions for a fast implementation. In order to achieve a suitable computational speed for practical applications, we propose a fast alignment algorithm that improves computational complexity of the new surface registration method from O(n3) to O(n2).

A high order accurate finite element algorithm for high Reynolds number flow prediction

NASA Technical Reports Server (NTRS)

Baker, A. J.

1978-01-01

A Galerkin-weighted residuals formulation is employed to establish an implicit finite element solution algorithm for generally nonlinear initial-boundary value problems. Solution accuracy, and convergence rate with discretization refinement, are quantized in several error norms, by a systematic study of numerical solutions to several nonlinear parabolic and a hyperbolic partial differential equation characteristic of the equations governing fluid flows. Solutions are generated using selective linear, quadratic and cubic basis functions. Richardson extrapolation is employed to generate a higher-order accurate solution to facilitate isolation of truncation error in all norms. Extension of the mathematical theory underlying accuracy and convergence concepts for linear elliptic equations is predicted for equations characteristic of laminar and turbulent fluid flows at nonmodest Reynolds number. The nondiagonal initial-value matrix structure introduced by the finite element theory is determined intrinsic to improved solution accuracy and convergence. A factored Jacobian iteration algorithm is derived and evaluated to yield a consequential reduction in both computer storage and execution CPU requirements while retaining solution accuracy.

Statistical process control using optimized neural networks: a case study.

PubMed

Addeh, Jalil; Ebrahimzadeh, Ata; Azarbad, Milad; Ranaee, Vahid

2014-09-01

The most common statistical process control (SPC) tools employed for monitoring process changes are control charts. A control chart demonstrates that the process has altered by generating an out-of-control signal. This study investigates the design of an accurate system for the control chart patterns (CCPs) recognition in two aspects. First, an efficient system is introduced that includes two main modules: feature extraction module and classifier module. In the feature extraction module, a proper set of shape features and statistical feature are proposed as the efficient characteristics of the patterns. In the classifier module, several neural networks, such as multilayer perceptron, probabilistic neural network and radial basis function are investigated. Based on an experimental study, the best classifier is chosen in order to recognize the CCPs. Second, a hybrid heuristic recognition system is introduced based on cuckoo optimization algorithm (COA) algorithm to improve the generalization performance of the classifier. The simulation results show that the proposed algorithm has high recognition accuracy. Copyright © 2013 ISA. Published by Elsevier Ltd. All rights reserved.

Implementation of the diagonalization-free algorithm in the self-consistent field procedure within the four-component relativistic scheme.

PubMed

Hrdá, Marcela; Kulich, Tomáš; Repiský, Michal; Noga, Jozef; Malkina, Olga L; Malkin, Vladimir G

2014-09-05

A recently developed Thouless-expansion-based diagonalization-free approach for improving the efficiency of self-consistent field (SCF) methods (Noga and Šimunek, J. Chem. Theory Comput. 2010, 6, 2706) has been adapted to the four-component relativistic scheme and implemented within the program package ReSpect. In addition to the implementation, the method has been thoroughly analyzed, particularly with respect to cases for which it is difficult or computationally expensive to find a good initial guess. Based on this analysis, several modifications of the original algorithm, refining its stability and efficiency, are proposed. To demonstrate the robustness and efficiency of the improved algorithm, we present the results of four-component diagonalization-free SCF calculations on several heavy-metal complexes, the largest of which contains more than 80 atoms (about 6000 4-spinor basis functions). The diagonalization-free procedure is about twice as fast as the corresponding diagonalization. Copyright © 2014 Wiley Periodicals, Inc.

An algorithm for the basis of the finite Fourier transform

NASA Technical Reports Server (NTRS)

Santhanam, Thalanayar S.

1995-01-01

The Finite Fourier Transformation matrix (F.F.T.) plays a central role in the formulation of quantum mechanics in a finite dimensional space studied by the author over the past couple of decades. An outstanding problem which still remains open is to find a complete basis for F.F.T. In this paper we suggest a simple algorithm to find the eigenvectors of F.T.T.

Operator bases, S-matrices, and their partition functions

NASA Astrophysics Data System (ADS)

Henning, Brian; Lu, Xiaochuan; Melia, Tom; Murayama, Hitoshi

2017-10-01

Relativistic quantum systems that admit scattering experiments are quantitatively described by effective field theories, where S-matrix kinematics and symmetry considerations are encoded in the operator spectrum of the EFT. In this paper we use the S-matrix to derive the structure of the EFT operator basis, providing complementary descriptions in (i) position space utilizing the conformal algebra and cohomology and (ii) momentum space via an algebraic formulation in terms of a ring of momenta with kinematics implemented as an ideal. These frameworks systematically handle redundancies associated with equations of motion (on-shell) and integration by parts (momentum conservation). We introduce a partition function, termed the Hilbert series, to enumerate the operator basis — correspondingly, the S-matrix — and derive a matrix integral expression to compute the Hilbert series. The expression is general, easily applied in any spacetime dimension, with arbitrary field content and (linearly realized) symmetries. In addition to counting, we discuss construction of the basis. Simple algorithms follow from the algebraic formulation in momentum space. We explicitly compute the basis for operators involving up to n = 5 scalar fields. This construction universally applies to fields with spin, since the operator basis for scalars encodes the momentum dependence of n-point amplitudes. We discuss in detail the operator basis for non-linearly realized symmetries. In the presence of massless particles, there is freedom to impose additional structure on the S- matrix in the form of soft limits. The most na¨ıve implementation for massless scalars leads to the operator basis for pions, which we confirm using the standard CCWZ formulation for non-linear realizations. Although primarily discussed in the language of EFT, some of our results — conceptual and quantitative — may be of broader use in studying conformal field theories as well as the AdS/CFT correspondence.

Distributed wavefront reconstruction with SABRE for real-time large scale adaptive optics control

NASA Astrophysics Data System (ADS)

Brunner, Elisabeth; de Visser, Cornelis C.; Verhaegen, Michel

2014-08-01

We present advances on Spline based ABerration REconstruction (SABRE) from (Shack-)Hartmann (SH) wavefront measurements for large-scale adaptive optics systems. SABRE locally models the wavefront with simplex B-spline basis functions on triangular partitions which are defined on the SH subaperture array. This approach allows high accuracy through the possible use of nonlinear basis functions and great adaptability to any wavefront sensor and pupil geometry. The main contribution of this paper is a distributed wavefront reconstruction method, D-SABRE, which is a 2 stage procedure based on decomposing the sensor domain into sub-domains each supporting a local SABRE model. D-SABRE greatly decreases the computational complexity of the method and removes the need for centralized reconstruction while obtaining a reconstruction accuracy for simulated E-ELT turbulences within 1% of the global method's accuracy. Further, a generalization of the methodology is proposed making direct use of SH intensity measurements which leads to an improved accuracy of the reconstruction compared to centroid algorithms using spatial gradients.

Gaussian functional regression for output prediction: Model assimilation and experimental design

NASA Astrophysics Data System (ADS)

Nguyen, N. C.; Peraire, J.

2016-03-01

In this paper, we introduce a Gaussian functional regression (GFR) technique that integrates multi-fidelity models with model reduction to efficiently predict the input-output relationship of a high-fidelity model. The GFR method combines the high-fidelity model with a low-fidelity model to provide an estimate of the output of the high-fidelity model in the form of a posterior distribution that can characterize uncertainty in the prediction. A reduced basis approximation is constructed upon the low-fidelity model and incorporated into the GFR method to yield an inexpensive posterior distribution of the output estimate. As this posterior distribution depends crucially on a set of training inputs at which the high-fidelity models are simulated, we develop a greedy sampling algorithm to select the training inputs. Our approach results in an output prediction model that inherits the fidelity of the high-fidelity model and has the computational complexity of the reduced basis approximation. Numerical results are presented to demonstrate the proposed approach.

Tensor numerical methods in quantum chemistry: from Hartree-Fock to excitation energies.

PubMed

Khoromskaia, Venera; Khoromskij, Boris N

2015-12-21

We resume the recent successes of the grid-based tensor numerical methods and discuss their prospects in real-space electronic structure calculations. These methods, based on the low-rank representation of the multidimensional functions and integral operators, first appeared as an accurate tensor calculus for the 3D Hartree potential using 1D complexity operations, and have evolved to entirely grid-based tensor-structured 3D Hartree-Fock eigenvalue solver. It benefits from tensor calculation of the core Hamiltonian and two-electron integrals (TEI) in O(n log n) complexity using the rank-structured approximation of basis functions, electron densities and convolution integral operators all represented on 3D n × n × n Cartesian grids. The algorithm for calculating TEI tensor in a form of the Cholesky decomposition is based on multiple factorizations using algebraic 1D "density fitting" scheme, which yield an almost irreducible number of product basis functions involved in the 3D convolution integrals, depending on a threshold ε > 0. The basis functions are not restricted to separable Gaussians, since the analytical integration is substituted by high-precision tensor-structured numerical quadratures. The tensor approaches to post-Hartree-Fock calculations for the MP2 energy correction and for the Bethe-Salpeter excitation energies, based on using low-rank factorizations and the reduced basis method, were recently introduced. Another direction is towards the tensor-based Hartree-Fock numerical scheme for finite lattices, where one of the numerical challenges is the summation of electrostatic potentials of a large number of nuclei. The 3D grid-based tensor method for calculation of a potential sum on a L × L × L lattice manifests the linear in L computational work, O(L), instead of the usual O(L(3) log L) scaling by the Ewald-type approaches.

A Kinect-Based Real-Time Compressive Tracking Prototype System for Amphibious Spherical Robots

PubMed Central

Pan, Shaowu; Shi, Liwei; Guo, Shuxiang

2015-01-01

A visual tracking system is essential as a basis for visual servoing, autonomous navigation, path planning, robot-human interaction and other robotic functions. To execute various tasks in diverse and ever-changing environments, a mobile robot requires high levels of robustness, precision, environmental adaptability and real-time performance of the visual tracking system. In keeping with the application characteristics of our amphibious spherical robot, which was proposed for flexible and economical underwater exploration in 2012, an improved RGB-D visual tracking algorithm is proposed and implemented. Given the limited power source and computational capabilities of mobile robots, compressive tracking (CT), which is the effective and efficient algorithm that was proposed in 2012, was selected as the basis of the proposed algorithm to process colour images. A Kalman filter with a second-order motion model was implemented to predict the state of the target and select candidate patches or samples for the CT tracker. In addition, a variance ratio features shift (VR-V) tracker with a Kalman estimation mechanism was used to process depth images. Using a feedback strategy, the depth tracking results were used to assist the CT tracker in updating classifier parameters at an adaptive rate. In this way, most of the deficiencies of CT, including drift and poor robustness to occlusion and high-speed target motion, were partly solved. To evaluate the proposed algorithm, a Microsoft Kinect sensor, which combines colour and infrared depth cameras, was adopted for use in a prototype of the robotic tracking system. The experimental results with various image sequences demonstrated the effectiveness, robustness and real-time performance of the tracking system. PMID:25856331

A Kinect-based real-time compressive tracking prototype system for amphibious spherical robots.

PubMed

Pan, Shaowu; Shi, Liwei; Guo, Shuxiang

2015-04-08

A visual tracking system is essential as a basis for visual servoing, autonomous navigation, path planning, robot-human interaction and other robotic functions. To execute various tasks in diverse and ever-changing environments, a mobile robot requires high levels of robustness, precision, environmental adaptability and real-time performance of the visual tracking system. In keeping with the application characteristics of our amphibious spherical robot, which was proposed for flexible and economical underwater exploration in 2012, an improved RGB-D visual tracking algorithm is proposed and implemented. Given the limited power source and computational capabilities of mobile robots, compressive tracking (CT), which is the effective and efficient algorithm that was proposed in 2012, was selected as the basis of the proposed algorithm to process colour images. A Kalman filter with a second-order motion model was implemented to predict the state of the target and select candidate patches or samples for the CT tracker. In addition, a variance ratio features shift (VR-V) tracker with a Kalman estimation mechanism was used to process depth images. Using a feedback strategy, the depth tracking results were used to assist the CT tracker in updating classifier parameters at an adaptive rate. In this way, most of the deficiencies of CT, including drift and poor robustness to occlusion and high-speed target motion, were partly solved. To evaluate the proposed algorithm, a Microsoft Kinect sensor, which combines colour and infrared depth cameras, was adopted for use in a prototype of the robotic tracking system. The experimental results with various image sequences demonstrated the effectiveness, robustness and real-time performance of the tracking system.

Robust extraction of basis functions for simultaneous and proportional myoelectric control via sparse non-negative matrix factorization

NASA Astrophysics Data System (ADS)

Lin, Chuang; Wang, Binghui; Jiang, Ning; Farina, Dario

2018-04-01

Objective. This paper proposes a novel simultaneous and proportional multiple degree of freedom (DOF) myoelectric control method for active prostheses. Approach. The approach is based on non-negative matrix factorization (NMF) of surface EMG signals with the inclusion of sparseness constraints. By applying a sparseness constraint to the control signal matrix, it is possible to extract the basis information from arbitrary movements (quasi-unsupervised approach) for multiple DOFs concurrently. Main Results. In online testing based on target hitting, able-bodied subjects reached a greater throughput (TP) when using sparse NMF (SNMF) than with classic NMF or with linear regression (LR). Accordingly, the completion time (CT) was shorter for SNMF than NMF or LR. The same observations were made in two patients with unilateral limb deficiencies. Significance. The addition of sparseness constraints to NMF allows for a quasi-unsupervised approach to myoelectric control with superior results with respect to previous methods for the simultaneous and proportional control of multi-DOF. The proposed factorization algorithm allows robust simultaneous and proportional control, is superior to previous supervised algorithms, and, because of minimal supervision, paves the way to online adaptation in myoelectric control.

Quantitative analysis of cell columns in the cerebral cortex.

PubMed

Buxhoeveden, D P; Switala, A E; Roy, E; Casanova, M F

2000-04-01

We present a quantified imaging method that describes the cell column in mammalian cortex. The minicolumn is an ideal template with which to examine cortical organization because it is a basic unit of function, complete in itself, which interacts with adjacent and distance columns to form more complex levels of organization. The subtle details of columnar anatomy should reflect physiological changes that have occurred in evolution as well as those that might be caused by pathologies in the brain. In this semiautomatic method, images of Nissl-stained tissue are digitized or scanned into a computer imaging system. The software detects the presence of cell columns and describes details of their morphology and of the surrounding space. Columns are detected automatically on the basis of cell-poor and cell-rich areas using a Gaussian distribution. A line is fit to the cell centers by least squares analysis. The line becomes the center of the column from which the precise location of every cell can be measured. On this basis several algorithms describe the distribution of cells from the center line and in relation to the available surrounding space. Other algorithms use cluster analyses to determine the spatial orientation of every column.

Integrand reduction for two-loop scattering amplitudes through multivariate polynomial division

NASA Astrophysics Data System (ADS)

Mastrolia, Pierpaolo; Mirabella, Edoardo; Ossola, Giovanni; Peraro, Tiziano

2013-04-01

We describe the application of a novel approach for the reduction of scattering amplitudes, based on multivariate polynomial division, which we have recently presented. This technique yields the complete integrand decomposition for arbitrary amplitudes, regardless of the number of loops. It allows for the determination of the residue at any multiparticle cut, whose knowledge is a mandatory prerequisite for applying the integrand-reduction procedure. By using the division modulo Gröbner basis, we can derive a simple integrand recurrence relation that generates the multiparticle pole decomposition for integrands of arbitrary multiloop amplitudes. We apply the new reduction algorithm to the two-loop planar and nonplanar diagrams contributing to the five-point scattering amplitudes in N=4 super Yang-Mills and N=8 supergravity in four dimensions, whose numerator functions contain up to rank-two terms in the integration momenta. We determine all polynomial residues parametrizing the cuts of the corresponding topologies and subtopologies. We obtain the integral basis for the decomposition of each diagram from the polynomial form of the residues. Our approach is well suited for a seminumerical implementation, and its general mathematical properties provide an effective algorithm for the generalization of the integrand-reduction method to all orders in perturbation theory.

A False Alarm Reduction Method for a Gas Sensor Based Electronic Nose

PubMed Central

Rahman, Mohammad Mizanur; Suksompong, Prapun; Toochinda, Pisanu; Taparugssanagorn, Attaphongse

2017-01-01

Electronic noses (E-Noses) are becoming popular for food and fruit quality assessment due to their robustness and repeated usability without fatigue, unlike human experts. An E-Nose equipped with classification algorithms and having open ended classification boundaries such as the k-nearest neighbor (k-NN), support vector machine (SVM), and multilayer perceptron neural network (MLPNN), are found to suffer from false classification errors of irrelevant odor data. To reduce false classification and misclassification errors, and to improve correct rejection performance; algorithms with a hyperspheric boundary, such as a radial basis function neural network (RBFNN) and generalized regression neural network (GRNN) with a Gaussian activation function in the hidden layer should be used. The simulation results presented in this paper show that GRNN has more correct classification efficiency and false alarm reduction capability compared to RBFNN. As the design of a GRNN and RBFNN is complex and expensive due to large numbers of neuron requirements, a simple hyperspheric classification method based on minimum, maximum, and mean (MMM) values of each class of the training dataset was presented. The MMM algorithm was simple and found to be fast and efficient in correctly classifying data of training classes, and correctly rejecting data of extraneous odors, and thereby reduced false alarms. PMID:28895910

A False Alarm Reduction Method for a Gas Sensor Based Electronic Nose.

PubMed

Rahman, Mohammad Mizanur; Charoenlarpnopparut, Chalie; Suksompong, Prapun; Toochinda, Pisanu; Taparugssanagorn, Attaphongse

2017-09-12

Electronic noses (E-Noses) are becoming popular for food and fruit quality assessment due to their robustness and repeated usability without fatigue, unlike human experts. An E-Nose equipped with classification algorithms and having open ended classification boundaries such as the k -nearest neighbor ( k -NN), support vector machine (SVM), and multilayer perceptron neural network (MLPNN), are found to suffer from false classification errors of irrelevant odor data. To reduce false classification and misclassification errors, and to improve correct rejection performance; algorithms with a hyperspheric boundary, such as a radial basis function neural network (RBFNN) and generalized regression neural network (GRNN) with a Gaussian activation function in the hidden layer should be used. The simulation results presented in this paper show that GRNN has more correct classification efficiency and false alarm reduction capability compared to RBFNN. As the design of a GRNN and RBFNN is complex and expensive due to large numbers of neuron requirements, a simple hyperspheric classification method based on minimum, maximum, and mean (MMM) values of each class of the training dataset was presented. The MMM algorithm was simple and found to be fast and efficient in correctly classifying data of training classes, and correctly rejecting data of extraneous odors, and thereby reduced false alarms.

Functional Basis for Efficient Physical Layer Classical Control in Quantum Processors

NASA Astrophysics Data System (ADS)

Ball, Harrison; Nguyen, Trung; Leong, Philip H. W.; Biercuk, Michael J.

2016-12-01

The rapid progress seen in the development of quantum-coherent devices for information processing has motivated serious consideration of quantum computer architecture and organization. One topic which remains open for investigation and optimization relates to the design of the classical-quantum interface, where control operations on individual qubits are applied according to higher-level algorithms; accommodating competing demands on performance and scalability remains a major outstanding challenge. In this work, we present a resource-efficient, scalable framework for the implementation of embedded physical layer classical controllers for quantum-information systems. Design drivers and key functionalities are introduced, leading to the selection of Walsh functions as an effective functional basis for both programing and controller hardware implementation. This approach leverages the simplicity of real-time Walsh-function generation in classical digital hardware, and the fact that a wide variety of physical layer controls, such as dynamic error suppression, are known to fall within the Walsh family. We experimentally implement a real-time field-programmable-gate-array-based Walsh controller producing Walsh timing signals and Walsh-synthesized analog waveforms appropriate for critical tasks in error-resistant quantum control and noise characterization. These demonstrations represent the first step towards a unified framework for the realization of physical layer controls compatible with large-scale quantum-information processing.

Algorithm for Atmospheric Corrections of Aircraft and Satellite Imagery

NASA Technical Reports Server (NTRS)

Fraser, Robert S.; Kaufman, Yoram J.; Ferrare, Richard A.; Mattoo, Shana

1989-01-01

A simple and fast atmospheric correction algorithm is described which is used to correct radiances of scattered sunlight measured by aircraft and/or satellite above a uniform surface. The atmospheric effect, the basic equations, a description of the computational procedure, and a sensitivity study are discussed. The program is designed to take the measured radiances, view and illumination directions, and the aerosol and gaseous absorption optical thickness to compute the radiance just above the surface, the irradiance on the surface, and surface reflectance. Alternatively, the program will compute the upward radiance at a specific altitude for a given surface reflectance, view and illumination directions, and aerosol and gaseous absorption optical thickness. The algorithm can be applied for any view and illumination directions and any wavelength in the range 0.48 micron to 2.2 micron. The relation between the measured radiance and surface reflectance, which is expressed as a function of atmospheric properties and measurement geometry, is computed using a radiative transfer routine. The results of the computations are presented in a table which forms the basis of the correction algorithm. The algorithm can be used for atmospheric corrections in the presence of a rural aerosol. The sensitivity of the derived surface reflectance to uncertainties in the model and input data is discussed.

Algorithm for atmospheric corrections of aircraft and satellite imagery

NASA Technical Reports Server (NTRS)

Fraser, R. S.; Ferrare, R. A.; Kaufman, Y. J.; Markham, B. L.; Mattoo, S.

1992-01-01

A simple and fast atmospheric correction algorithm is described which is used to correct radiances of scattered sunlight measured by aircraft and/or satellite above a uniform surface. The atmospheric effect, the basic equations, a description of the computational procedure, and a sensitivity study are discussed. The program is designed to take the measured radiances, view and illumination directions, and the aerosol and gaseous absorption optical thickness to compute the radiance just above the surface, the irradiance on the surface, and surface reflectance. Alternatively, the program will compute the upward radiance at a specific altitude for a given surface reflectance, view and illumination directions, and aerosol and gaseous absorption optical thickness. The algorithm can be applied for any view and illumination directions and any wavelength in the range 0.48 micron to 2.2 microns. The relation between the measured radiance and surface reflectance, which is expressed as a function of atmospheric properties and measurement geometry, is computed using a radiative transfer routine. The results of the computations are presented in a table which forms the basis of the correction algorithm. The algorithm can be used for atmospheric corrections in the presence of a rural aerosol. The sensitivity of the derived surface reflectance to uncertainties in the model and input data is discussed.

The Mucciardi-Gose Clustering Algorithm and Its Applications in Automatic Pattern Recognition.

DTIC Science & Technology

A procedure known as the Mucciardi- Gose clustering algorithm, CLUSTR, for determining the geometrical or statistical relationships among groups of N...discussion of clustering algorithms is given; the particular advantages of the Mucciardi- Gose procedure are described. The mathematical basis for, and the

Linear-scaling time-dependent density-functional theory beyond the Tamm-Dancoff approximation: Obtaining efficiency and accuracy with in situ optimised local orbitals.

PubMed

Zuehlsdorff, T J; Hine, N D M; Payne, M C; Haynes, P D

2015-11-28

We present a solution of the full time-dependent density-functional theory (TDDFT) eigenvalue equation in the linear response formalism exhibiting a linear-scaling computational complexity with system size, without relying on the simplifying Tamm-Dancoff approximation (TDA). The implementation relies on representing the occupied and unoccupied subspaces with two different sets of in situ optimised localised functions, yielding a very compact and efficient representation of the transition density matrix of the excitation with the accuracy associated with a systematic basis set. The TDDFT eigenvalue equation is solved using a preconditioned conjugate gradient algorithm that is very memory-efficient. The algorithm is validated on a small test molecule and a good agreement with results obtained from standard quantum chemistry packages is found, with the preconditioner yielding a significant improvement in convergence rates. The method developed in this work is then used to reproduce experimental results of the absorption spectrum of bacteriochlorophyll in an organic solvent, where it is demonstrated that the TDA fails to reproduce the main features of the low energy spectrum, while the full TDDFT equation yields results in good qualitative agreement with experimental data. Furthermore, the need for explicitly including parts of the solvent into the TDDFT calculations is highlighted, making the treatment of large system sizes necessary that are well within reach of the capabilities of the algorithm introduced here. Finally, the linear-scaling properties of the algorithm are demonstrated by computing the lowest excitation energy of bacteriochlorophyll in solution. The largest systems considered in this work are of the same order of magnitude as a variety of widely studied pigment-protein complexes, opening up the possibility of studying their properties without having to resort to any semiclassical approximations to parts of the protein environment.

Mathematics of Computed Tomography

NASA Astrophysics Data System (ADS)

Hawkins, William Grant

A review of the applications of the Radon transform is presented, with emphasis on emission computed tomography and transmission computed tomography. The theory of the 2D and 3D Radon transforms, and the effects of attenuation for emission computed tomography are presented. The algebraic iterative methods, their importance and limitations are reviewed. Analytic solutions of the 2D problem the convolution and frequency filtering methods based on linear shift invariant theory, and the solution of the circular harmonic decomposition by integral transform theory--are reviewed. The relation between the invisible kernels, the inverse circular harmonic transform, and the consistency conditions are demonstrated. The discussion and review are extended to the 3D problem-convolution, frequency filtering, spherical harmonic transform solutions, and consistency conditions. The Cormack algorithm based on reconstruction with Zernike polynomials is reviewed. An analogous algorithm and set of reconstruction polynomials is developed for the spherical harmonic transform. The relations between the consistency conditions, boundary conditions and orthogonal basis functions for the 2D projection harmonics are delineated and extended to the 3D case. The equivalence of the inverse circular harmonic transform, the inverse Radon transform, and the inverse Cormack transform is presented. The use of the number of nodes of a projection harmonic as a filter is discussed. Numerical methods for the efficient implementation of angular harmonic algorithms based on orthogonal functions and stable recursion are presented. The derivation of a lower bound for the signal-to-noise ratio of the Cormack algorithm is derived.

Vertical discretization with finite elements for a global hydrostatic model on the cubed sphere

NASA Astrophysics Data System (ADS)

Yi, Tae-Hyeong; Park, Ja-Rin

2017-06-01

A formulation of Galerkin finite element with basis-spline functions on a hybrid sigma-pressure coordinate is presented to discretize the vertical terms of global Eulerian hydrostatic equations employed in a numerical weather prediction system, which is horizontally discretized with high-order spectral elements on a cubed sphere grid. This replaces the vertical discretization of conventional central finite difference that is first-order accurate in non-uniform grids and causes numerical instability in advection-dominant flows. Therefore, a model remains in the framework of Galerkin finite elements for both the horizontal and vertical spatial terms. The basis-spline functions, obtained from the de-Boor algorithm, are employed to derive both the vertical derivative and integral operators, since Eulerian advection terms are involved. These operators are used to discretize the vertical terms of the prognostic and diagnostic equations. To verify the vertical discretization schemes and compare their performance, various two- and three-dimensional idealized cases and a hindcast case with full physics are performed in terms of accuracy and stability. It was shown that the vertical finite element with the cubic basis-spline function is more accurate and stable than that of the vertical finite difference, as indicated by faster residual convergence, fewer statistical errors, and reduction in computational mode. This leads to the general conclusion that the overall performance of a global hydrostatic model might be significantly improved with the vertical finite element.

Designing an artificial neural network using radial basis function to model exergetic efficiency of nanofluids in mini double pipe heat exchanger

NASA Astrophysics Data System (ADS)

Ghasemi, Nahid; Aghayari, Reza; Maddah, Heydar

2018-06-01

The present study aims at predicting and optimizing exergetic efficiency of TiO2-Al2O3/water nanofluid at different Reynolds numbers, volume fractions and twisted ratios using Artificial Neural Networks (ANN) and experimental data. Central Composite Design (CCD) and cascade Radial Basis Function (RBF) were used to display the significant levels of the analyzed factors on the exergetic efficiency. The size of TiO2-Al2O3/water nanocomposite was 20-70 nm. The parameters of ANN model were adapted by a training algorithm of radial basis function (RBF) with a wide range of experimental data set. Total mean square error and correlation coefficient were used to evaluate the results which the best result was obtained from double layer perceptron neural network with 30 neurons in which total Mean Square Error(MSE) and correlation coefficient (R2) were equal to 0.002 and 0.999, respectively. This indicated successful prediction of the network. Moreover, the proposed equation for predicting exergetic efficiency was extremely successful. According to the optimal curves, the optimum designing parameters of double pipe heat exchanger with inner twisted tape and nanofluid under the constrains of exergetic efficiency 0.937 are found to be Reynolds number 2500, twisted ratio 2.5 and volume fraction( v/v%) 0.05.

Atomic orbital-based SOS-MP2 with tensor hypercontraction. II. Local tensor hypercontraction

NASA Astrophysics Data System (ADS)

Song, Chenchen; Martínez, Todd J.

2017-01-01

In the first paper of the series [Paper I, C. Song and T. J. Martinez, J. Chem. Phys. 144, 174111 (2016)], we showed how tensor-hypercontracted (THC) SOS-MP2 could be accelerated by exploiting sparsity in the atomic orbitals and using graphical processing units (GPUs). This reduced the formal scaling of the SOS-MP2 energy calculation to cubic with respect to system size. The computational bottleneck then becomes the THC metric matrix inversion, which scales cubically with a large prefactor. In this work, the local THC approximation is proposed to reduce the computational cost of inverting the THC metric matrix to linear scaling with respect to molecular size. By doing so, we have removed the primary bottleneck to THC-SOS-MP2 calculations on large molecules with O(1000) atoms. The errors introduced by the local THC approximation are less than 0.6 kcal/mol for molecules with up to 200 atoms and 3300 basis functions. Together with the graphical processing unit techniques and locality-exploiting approaches introduced in previous work, the scaled opposite spin MP2 (SOS-MP2) calculations exhibit O(N2.5) scaling in practice up to 10 000 basis functions. The new algorithms make it feasible to carry out SOS-MP2 calculations on small proteins like ubiquitin (1231 atoms/10 294 atomic basis functions) on a single node in less than a day.

Atomic orbital-based SOS-MP2 with tensor hypercontraction. II. Local tensor hypercontraction.

PubMed

Song, Chenchen; Martínez, Todd J

2017-01-21

In the first paper of the series [Paper I, C. Song and T. J. Martinez, J. Chem. Phys. 144, 174111 (2016)], we showed how tensor-hypercontracted (THC) SOS-MP2 could be accelerated by exploiting sparsity in the atomic orbitals and using graphical processing units (GPUs). This reduced the formal scaling of the SOS-MP2 energy calculation to cubic with respect to system size. The computational bottleneck then becomes the THC metric matrix inversion, which scales cubically with a large prefactor. In this work, the local THC approximation is proposed to reduce the computational cost of inverting the THC metric matrix to linear scaling with respect to molecular size. By doing so, we have removed the primary bottleneck to THC-SOS-MP2 calculations on large molecules with O(1000) atoms. The errors introduced by the local THC approximation are less than 0.6 kcal/mol for molecules with up to 200 atoms and 3300 basis functions. Together with the graphical processing unit techniques and locality-exploiting approaches introduced in previous work, the scaled opposite spin MP2 (SOS-MP2) calculations exhibit O(N 2.5 ) scaling in practice up to 10 000 basis functions. The new algorithms make it feasible to carry out SOS-MP2 calculations on small proteins like ubiquitin (1231 atoms/10 294 atomic basis functions) on a single node in less than a day.

Quantitative fluorescence microscopy and image deconvolution.

PubMed

Swedlow, Jason R

2013-01-01

Quantitative imaging and image deconvolution have become standard techniques for the modern cell biologist because they can form the basis of an increasing number of assays for molecular function in a cellular context. There are two major types of deconvolution approaches--deblurring and restoration algorithms. Deblurring algorithms remove blur but treat a series of optical sections as individual two-dimensional entities and therefore sometimes mishandle blurred light. Restoration algorithms determine an object that, when convolved with the point-spread function of the microscope, could produce the image data. The advantages and disadvantages of these methods are discussed in this chapter. Image deconvolution in fluorescence microscopy has usually been applied to high-resolution imaging to improve contrast and thus detect small, dim objects that might otherwise be obscured. Their proper use demands some consideration of the imaging hardware, the acquisition process, fundamental aspects of photon detection, and image processing. This can prove daunting for some cell biologists, but the power of these techniques has been proven many times in the works cited in the chapter and elsewhere. Their usage is now well defined, so they can be incorporated into the capabilities of most laboratories. A major application of fluorescence microscopy is the quantitative measurement of the localization, dynamics, and interactions of cellular factors. The introduction of green fluorescent protein and its spectral variants has led to a significant increase in the use of fluorescence microscopy as a quantitative assay system. For quantitative imaging assays, it is critical to consider the nature of the image-acquisition system and to validate its response to known standards. Any image-processing algorithms used before quantitative analysis should preserve the relative signal levels in different parts of the image. A very common image-processing algorithm, image deconvolution, is used to remove blurred signal from an image. There are two major types of deconvolution approaches, deblurring and restoration algorithms. Deblurring algorithms remove blur, but treat a series of optical sections as individual two-dimensional entities, and therefore sometimes mishandle blurred light. Restoration algorithms determine an object that, when convolved with the point-spread function of the microscope, could produce the image data. The advantages and disadvantages of these methods are discussed. Copyright © 1998 Elsevier Inc. All rights reserved.

Kepler Planet Detection Metrics: Window and One-Sigma Depth Functions for Data Release 25

NASA Technical Reports Server (NTRS)

Burke, Christopher J.; Catanzarite, Joseph

2017-01-01

This document describes the window and one-sigma depth functions relevant to the Transiting Planet Search (TPS) algorithm in the Kepler pipeline (Jenkins 2002; Jenkins et al. 2017). The window function specifies the fraction of unique orbital ephemeris epochs over which three transits are observable as a function of orbital period. In this context, the epoch and orbital period, together, comprise the ephemeris of an orbiting companion, and ephemerides with the same period are considered equivalent if their epochs differ by an integer multiple of the period. The one-sigma depth function specifies the depth of a signal (in ppm) for a given light curve that results in a one-sigma detection of a transit signature as a function of orbital period when averaged over all unique orbital ephemerides. These planet detection metrics quantify the ability of TPS to detect a transiting planet signature on a star-by-star basis. They are uniquely applicable to a specific Kepler data release, since they are dependent on the details of the light curves searched and the functionality of the TPS algorithm used to perform the search. This document describes the window and one-sigma depth functions relevant to Kepler Data Release 25 (DR25), where the data were processed (Thompson et al. 2016) and searched (Twicken et al. 2016) with the SOC 9.3 pipeline. In Section 4, we describe significant differences from those reported in Kepler Data Release 24 (Burke Seader 2016) and document our verification method.

Generalizing the self-healing diffusion Monte Carlo approach to finite temperature: a path for the optimization of low-energy many-body basis expansions

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

Kim, Jeongnim; Reboredo, Fernando A.

The self-healing diffusion Monte Carlo method for complex functions [F. A. Reboredo J. Chem. Phys. {\\bf 136}, 204101 (2012)] and some ideas of the correlation function Monte Carlo approach [D. M. Ceperley and B. Bernu, J. Chem. Phys. {\\bf 89}, 6316 (1988)] are blended to obtain a method for the calculation of thermodynamic properties of many-body systems at low temperatures. In order to allow the evolution in imaginary time to describe the density matrix, we remove the fixed-node restriction using complex antisymmetric trial wave functions. A statistical method is derived for the calculation of finite temperature properties of many-body systemsmore » near the ground state. In the process we also obtain a parallel algorithm that optimizes the many-body basis of a small subspace of the many-body Hilbert space. This small subspace is optimized to have maximum overlap with the one expanded by the lower energy eigenstates of a many-body Hamiltonian. We show in a model system that the Helmholtz free energy is minimized within this subspace as the iteration number increases. We show that the subspace expanded by the small basis systematically converges towards the subspace expanded by the lowest energy eigenstates. Possible applications of this method to calculate the thermodynamic properties of many-body systems near the ground state are discussed. The resulting basis can be also used to accelerate the calculation of the ground or excited states with Quantum Monte Carlo.« less

A method for spectral DNS of low Rm channel flows based on the least dissipative modes

NASA Astrophysics Data System (ADS)

Kornet, Kacper; Pothérat, Alban

2015-10-01

We put forward a new type of spectral method for the direct numerical simulation of flows where anisotropy or very fine boundary layers are present. The main idea is to take advantage of the fact that such structures are dissipative and that their presence should reduce the number of degrees of freedom of the flow, when paradoxically, their fine resolution incurs extra computational cost in most current methods. The principle of this method is to use a functional basis with elements that already include these fine structures so as to avoid these extra costs. This leads us to develop an algorithm to implement a spectral method for arbitrary functional bases, and in particular, non-orthogonal ones. We construct a basic implementation of this algorithm to simulate magnetohydrodynamic (MHD) channel flows with an externally imposed, transverse magnetic field, where very thin boundary layers are known to develop along the channel walls. In this case, the sought functional basis can be built out of the eigenfunctions of the dissipation operator, which incorporate these boundary layers, and it turns out to be non-orthogonal. We validate this new scheme against numerical simulations of freely decaying MHD turbulence based on a finite volume code and it is found to provide accurate results. Its ability to fully resolve wall-bounded turbulence with a number of modes close to that required by the dynamics is demonstrated on a simple example. This opens the way to full-blown simulations of MHD turbulence under very high magnetic fields. Until now such simulations were too computationally expensive. In contrast to traditional methods the computational cost of the proposed method, does not depend on the intensity of the magnetic field.

Blind beam-hardening correction from Poisson measurements

NASA Astrophysics Data System (ADS)

Gu, Renliang; Dogandžić, Aleksandar

2016-02-01

We develop a sparse image reconstruction method for Poisson-distributed polychromatic X-ray computed tomography (CT) measurements under the blind scenario where the material of the inspected object and the incident energy spectrum are unknown. We employ our mass-attenuation spectrum parameterization of the noiseless measurements and express the mass- attenuation spectrum as a linear combination of B-spline basis functions of order one. A block coordinate-descent algorithm is developed for constrained minimization of a penalized Poisson negative log-likelihood (NLL) cost function, where constraints and penalty terms ensure nonnegativity of the spline coefficients and nonnegativity and sparsity of the density map image; the image sparsity is imposed using a convex total-variation (TV) norm penalty term. This algorithm alternates between a Nesterov's proximal-gradient (NPG) step for estimating the density map image and a limited-memory Broyden-Fletcher-Goldfarb-Shanno with box constraints (L-BFGS-B) step for estimating the incident-spectrum parameters. To accelerate convergence of the density- map NPG steps, we apply function restart and a step-size selection scheme that accounts for varying local Lipschitz constants of the Poisson NLL. Real X-ray CT reconstruction examples demonstrate the performance of the proposed scheme.

An investigation of using an RQP based method to calculate parameter sensitivity derivatives

NASA Technical Reports Server (NTRS)

Beltracchi, Todd J.; Gabriele, Gary A.

1989-01-01

Estimation of the sensitivity of problem functions with respect to problem variables forms the basis for many of our modern day algorithms for engineering optimization. The most common application of problem sensitivities has been in the calculation of objective function and constraint partial derivatives for determining search directions and optimality conditions. A second form of sensitivity analysis, parameter sensitivity, has also become an important topic in recent years. By parameter sensitivity, researchers refer to the estimation of changes in the modeling functions and current design point due to small changes in the fixed parameters of the formulation. Methods for calculating these derivatives have been proposed by several authors (Armacost and Fiacco 1974, Sobieski et al 1981, Schmit and Chang 1984, and Vanderplaats and Yoshida 1985). Two drawbacks to estimating parameter sensitivities by current methods have been: (1) the need for second order information about the Lagrangian at the current point, and (2) the estimates assume no change in the active set of constraints. The first of these two problems is addressed here and a new algorithm is proposed that does not require explicit calculation of second order information.

Tracking control of a closed-chain five-bar robot with two degrees of freedom by integration of an approximation-based approach and mechanical design.

PubMed

Cheng, Long; Hou, Zeng-Guang; Tan, Min; Zhang, W J

2012-10-01

The trajectory tracking problem of a closed-chain five-bar robot is studied in this paper. Based on an error transformation function and the backstepping technique, an approximation-based tracking algorithm is proposed, which can guarantee the control performance of the robotic system in both the stable and transient phases. In particular, the overshoot, settling time, and final tracking error of the robotic system can be all adjusted by properly setting the parameters in the error transformation function. The radial basis function neural network (RBFNN) is used to compensate the complicated nonlinear terms in the closed-loop dynamics of the robotic system. The approximation error of the RBFNN is only required to be bounded, which simplifies the initial "trail-and-error" configuration of the neural network. Illustrative examples are given to verify the theoretical analysis and illustrate the effectiveness of the proposed algorithm. Finally, it is also shown that the proposed approximation-based controller can be simplified by a smart mechanical design of the closed-chain robot, which demonstrates the promise of the integrated design and control philosophy.

Clinical evaluation of semi-automatic open-source algorithmic software segmentation of the mandibular bone: Practical feasibility and assessment of a new course of action.

PubMed

Wallner, Jürgen; Hochegger, Kerstin; Chen, Xiaojun; Mischak, Irene; Reinbacher, Knut; Pau, Mauro; Zrnc, Tomislav; Schwenzer-Zimmerer, Katja; Zemann, Wolfgang; Schmalstieg, Dieter; Egger, Jan

2018-01-01

Computer assisted technologies based on algorithmic software segmentation are an increasing topic of interest in complex surgical cases. However-due to functional instability, time consuming software processes, personnel resources or licensed-based financial costs many segmentation processes are often outsourced from clinical centers to third parties and the industry. Therefore, the aim of this trial was to assess the practical feasibility of an easy available, functional stable and licensed-free segmentation approach to be used in the clinical practice. In this retrospective, randomized, controlled trail the accuracy and accordance of the open-source based segmentation algorithm GrowCut was assessed through the comparison to the manually generated ground truth of the same anatomy using 10 CT lower jaw data-sets from the clinical routine. Assessment parameters were the segmentation time, the volume, the voxel number, the Dice Score and the Hausdorff distance. Overall semi-automatic GrowCut segmentation times were about one minute. Mean Dice Score values of over 85% and Hausdorff Distances below 33.5 voxel could be achieved between the algorithmic GrowCut-based segmentations and the manual generated ground truth schemes. Statistical differences between the assessment parameters were not significant (p<0.05) and correlation coefficients were close to the value one (r > 0.94) for any of the comparison made between the two groups. Complete functional stable and time saving segmentations with high accuracy and high positive correlation could be performed by the presented interactive open-source based approach. In the cranio-maxillofacial complex the used method could represent an algorithmic alternative for image-based segmentation in the clinical practice for e.g. surgical treatment planning or visualization of postoperative results and offers several advantages. Due to an open-source basis the used method could be further developed by other groups or specialists. Systematic comparisons to other segmentation approaches or with a greater data amount are areas of future works.

Kullback-Leibler Divergence-Based Differential Evolution Markov Chain Filter for Global Localization of Mobile Robots.

PubMed

Martín, Fernando; Moreno, Luis; Garrido, Santiago; Blanco, Dolores

2015-09-16

One of the most important skills desired for a mobile robot is the ability to obtain its own location even in challenging environments. The information provided by the sensing system is used here to solve the global localization problem. In our previous work, we designed different algorithms founded on evolutionary strategies in order to solve the aforementioned task. The latest developments are presented in this paper. The engine of the localization module is a combination of the Markov chain Monte Carlo sampling technique and the Differential Evolution method, which results in a particle filter based on the minimization of a fitness function. The robot's pose is estimated from a set of possible locations weighted by a cost value. The measurements of the perceptive sensors are used together with the predicted ones in a known map to define a cost function to optimize. Although most localization methods rely on quadratic fitness functions, the sensed information is processed asymmetrically in this filter. The Kullback-Leibler divergence is the basis of a cost function that makes it possible to deal with different types of occlusions. The algorithm performance has been checked in a real map. The results are excellent in environments with dynamic and unmodeled obstacles, a fact that causes occlusions in the sensing area.

Kullback-Leibler Divergence-Based Differential Evolution Markov Chain Filter for Global Localization of Mobile Robots

PubMed Central

Martín, Fernando; Moreno, Luis; Garrido, Santiago; Blanco, Dolores

2015-01-01

One of the most important skills desired for a mobile robot is the ability to obtain its own location even in challenging environments. The information provided by the sensing system is used here to solve the global localization problem. In our previous work, we designed different algorithms founded on evolutionary strategies in order to solve the aforementioned task. The latest developments are presented in this paper. The engine of the localization module is a combination of the Markov chain Monte Carlo sampling technique and the Differential Evolution method, which results in a particle filter based on the minimization of a fitness function. The robot’s pose is estimated from a set of possible locations weighted by a cost value. The measurements of the perceptive sensors are used together with the predicted ones in a known map to define a cost function to optimize. Although most localization methods rely on quadratic fitness functions, the sensed information is processed asymmetrically in this filter. The Kullback-Leibler divergence is the basis of a cost function that makes it possible to deal with different types of occlusions. The algorithm performance has been checked in a real map. The results are excellent in environments with dynamic and unmodeled obstacles, a fact that causes occlusions in the sensing area. PMID:26389914

The simulation method of chemical composition of vermicular graphite iron on the basis of genetic algorithm

NASA Astrophysics Data System (ADS)

Yusupov, L. R.; Klochkova, K. V.; Simonova, L. A.

2017-09-01

The paper presents a methodology of modeling the chemical composition of the composite material via genetic algorithm for optimization of the manufacturing process of products. The paper presents algorithms of methods based on intelligent system of vermicular graphite iron design

Computer algorithm for coding gain

NASA Technical Reports Server (NTRS)

Dodd, E. E.

1974-01-01

Development of a computer algorithm for coding gain for use in an automated communications link design system. Using an empirical formula which defines coding gain as used in space communications engineering, an algorithm is constructed on the basis of available performance data for nonsystematic convolutional encoding with soft-decision (eight-level) Viterbi decoding.

Ant-cuckoo colony optimization for feature selection in digital mammogram.

PubMed

Jona, J B; Nagaveni, N

2014-01-15

Digital mammogram is the only effective screening method to detect the breast cancer. Gray Level Co-occurrence Matrix (GLCM) textural features are extracted from the mammogram. All the features are not essential to detect the mammogram. Therefore identifying the relevant feature is the aim of this work. Feature selection improves the classification rate and accuracy of any classifier. In this study, a new hybrid metaheuristic named Ant-Cuckoo Colony Optimization a hybrid of Ant Colony Optimization (ACO) and Cuckoo Search (CS) is proposed for feature selection in Digital Mammogram. ACO is a good metaheuristic optimization technique but the drawback of this algorithm is that the ant will walk through the path where the pheromone density is high which makes the whole process slow hence CS is employed to carry out the local search of ACO. Support Vector Machine (SVM) classifier with Radial Basis Kernal Function (RBF) is done along with the ACO to classify the normal mammogram from the abnormal mammogram. Experiments are conducted in miniMIAS database. The performance of the new hybrid algorithm is compared with the ACO and PSO algorithm. The results show that the hybrid Ant-Cuckoo Colony Optimization algorithm is more accurate than the other techniques.

Revisiting QRS detection methodologies for portable, wearable, battery-operated, and wireless ECG systems.

PubMed

Elgendi, Mohamed; Eskofier, Björn; Dokos, Socrates; Abbott, Derek

2014-01-01

Cardiovascular diseases are the number one cause of death worldwide. Currently, portable battery-operated systems such as mobile phones with wireless ECG sensors have the potential to be used in continuous cardiac function assessment that can be easily integrated into daily life. These portable point-of-care diagnostic systems can therefore help unveil and treat cardiovascular diseases. The basis for ECG analysis is a robust detection of the prominent QRS complex, as well as other ECG signal characteristics. However, it is not clear from the literature which ECG analysis algorithms are suited for an implementation on a mobile device. We investigate current QRS detection algorithms based on three assessment criteria: 1) robustness to noise, 2) parameter choice, and 3) numerical efficiency, in order to target a universal fast-robust detector. Furthermore, existing QRS detection algorithms may provide an acceptable solution only on small segments of ECG signals, within a certain amplitude range, or amid particular types of arrhythmia and/or noise. These issues are discussed in the context of a comparison with the most conventional algorithms, followed by future recommendations for developing reliable QRS detection schemes suitable for implementation on battery-operated mobile devices.

A Comparison Study of Machine Learning Based Algorithms for Fatigue Crack Growth Calculation.

PubMed

Wang, Hongxun; Zhang, Weifang; Sun, Fuqiang; Zhang, Wei

2017-05-18

The relationships between the fatigue crack growth rate ( d a / d N ) and stress intensity factor range ( Δ K ) are not always linear even in the Paris region. The stress ratio effects on fatigue crack growth rate are diverse in different materials. However, most existing fatigue crack growth models cannot handle these nonlinearities appropriately. The machine learning method provides a flexible approach to the modeling of fatigue crack growth because of its excellent nonlinear approximation and multivariable learning ability. In this paper, a fatigue crack growth calculation method is proposed based on three different machine learning algorithms (MLAs): extreme learning machine (ELM), radial basis function network (RBFN) and genetic algorithms optimized back propagation network (GABP). The MLA based method is validated using testing data of different materials. The three MLAs are compared with each other as well as the classical two-parameter model ( K * approach). The results show that the predictions of MLAs are superior to those of K * approach in accuracy and effectiveness, and the ELM based algorithms show overall the best agreement with the experimental data out of the three MLAs, for its global optimization and extrapolation ability.

Aid decision algorithms to estimate the risk in congenital heart surgery.

PubMed

Ruiz-Fernández, Daniel; Monsalve Torra, Ana; Soriano-Payá, Antonio; Marín-Alonso, Oscar; Triana Palencia, Eddy

2016-04-01

In this paper, we have tested the suitability of using different artificial intelligence-based algorithms for decision support when classifying the risk of congenital heart surgery. In this sense, classification of those surgical risks provides enormous benefits as the a priori estimation of surgical outcomes depending on either the type of disease or the type of repair, and other elements that influence the final result. This preventive estimation may help to avoid future complications, or even death. We have evaluated four machine learning algorithms to achieve our objective: multilayer perceptron, self-organizing map, radial basis function networks and decision trees. The architectures implemented have the aim of classifying among three types of surgical risk: low complexity, medium complexity and high complexity. Accuracy outcomes achieved range between 80% and 99%, being the multilayer perceptron method the one that offered a higher hit ratio. According to the results, it is feasible to develop a clinical decision support system using the evaluated algorithms. Such system would help cardiology specialists, paediatricians and surgeons to forecast the level of risk related to a congenital heart disease surgery. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

Data Mining for Anomaly Detection

NASA Technical Reports Server (NTRS)

Biswas, Gautam; Mack, Daniel; Mylaraswamy, Dinkar; Bharadwaj, Raj

2013-01-01

The Vehicle Integrated Prognostics Reasoner (VIPR) program describes methods for enhanced diagnostics as well as a prognostic extension to current state of art Aircraft Diagnostic and Maintenance System (ADMS). VIPR introduced a new anomaly detection function for discovering previously undetected and undocumented situations, where there are clear deviations from nominal behavior. Once a baseline (nominal model of operations) is established, the detection and analysis is split between on-aircraft outlier generation and off-aircraft expert analysis to characterize and classify events that may not have been anticipated by individual system providers. Offline expert analysis is supported by data curation and data mining algorithms that can be applied in the contexts of supervised learning methods and unsupervised learning. In this report, we discuss efficient methods to implement the Kolmogorov complexity measure using compression algorithms, and run a systematic empirical analysis to determine the best compression measure. Our experiments established that the combination of the DZIP compression algorithm and CiDM distance measure provides the best results for capturing relevant properties of time series data encountered in aircraft operations. This combination was used as the basis for developing an unsupervised learning algorithm to define "nominal" flight segments using historical flight segments.

Revisiting QRS Detection Methodologies for Portable, Wearable, Battery-Operated, and Wireless ECG Systems

PubMed Central

Elgendi, Mohamed; Eskofier, Björn; Dokos, Socrates; Abbott, Derek

2014-01-01

Cardiovascular diseases are the number one cause of death worldwide. Currently, portable battery-operated systems such as mobile phones with wireless ECG sensors have the potential to be used in continuous cardiac function assessment that can be easily integrated into daily life. These portable point-of-care diagnostic systems can therefore help unveil and treat cardiovascular diseases. The basis for ECG analysis is a robust detection of the prominent QRS complex, as well as other ECG signal characteristics. However, it is not clear from the literature which ECG analysis algorithms are suited for an implementation on a mobile device. We investigate current QRS detection algorithms based on three assessment criteria: 1) robustness to noise, 2) parameter choice, and 3) numerical efficiency, in order to target a universal fast-robust detector. Furthermore, existing QRS detection algorithms may provide an acceptable solution only on small segments of ECG signals, within a certain amplitude range, or amid particular types of arrhythmia and/or noise. These issues are discussed in the context of a comparison with the most conventional algorithms, followed by future recommendations for developing reliable QRS detection schemes suitable for implementation on battery-operated mobile devices. PMID:24409290

Statistical Mechanics of Node-perturbation Learning with Noisy Baseline

NASA Astrophysics Data System (ADS)

Hara, Kazuyuki; Katahira, Kentaro; Okada, Masato

2017-02-01

Node-perturbation learning is a type of statistical gradient descent algorithm that can be applied to problems where the objective function is not explicitly formulated, including reinforcement learning. It estimates the gradient of an objective function by using the change in the object function in response to the perturbation. The value of the objective function for an unperturbed output is called a baseline. Cho et al. proposed node-perturbation learning with a noisy baseline. In this paper, we report on building the statistical mechanics of Cho's model and on deriving coupled differential equations of order parameters that depict learning dynamics. We also show how to derive the generalization error by solving the differential equations of order parameters. On the basis of the results, we show that Cho's results are also apply in general cases and show some general performances of Cho's model.

Scalar and Vector Spherical Harmonics for Assimilation of Global Datasets in the Ionosphere and Thermosphere

NASA Astrophysics Data System (ADS)

Miladinovich, D.; Datta-Barua, S.; Bust, G. S.; Ramirez, U.

2017-12-01

Understanding physical processes during storm time in the ionosphere-thermosphere (IT) system is limited, in part, due to the inability to obtain accurate estimates of IT states on a global scale. One reason for this inability is the sparsity of spatially distributed high quality data sets. Data assimilation is showing promise toward enabling global estimates by blending high quality observational data sets with established climate models. We are continuing development of an algorithm called Estimating Model Parameters for Ionospheric Reverse Engineering (EMPIRE) to enable assimilation of global datasets for storm time estimates of IT drivers. EMPIRE is a data assimilation algorithm that uses a Kalman filtering routine to ingest model and observational data. The EMPIRE algorithm is based on spherical harmonics which provide a spherically symmetric, smooth, continuous, and orthonormal set of basis functions suitable for a spherical domain such as Earth's IT region (200-600 km altitude). Once the basis function coefficients are determined, the newly fitted function represents the disagreement between observational measurements and models. We apply spherical harmonics to study the March 17, 2015 storm. Data sources include Fabry-Perot interferometer neutral wind measurements and global Ionospheric Data Assimilation 4 Dimensional (IDA4D) assimilated total electron content (TEC). Models include Weimer 2000 electric potential, International Geomagnetic Reference Field (IGRF) magnetic field, and Horizontal Wind Model 2014 (HWM14) neutral winds. We present the EMPIRE assimilation results of Earth's electric potential and thermospheric winds. We also compare EMPIRE storm time E cross B ion drift estimates to measured drifts produced from the Super Dual Auroral Radar Network (SuperDARN) and Active Magnetosphere and Planetary Electrodynamics Response Experiment (AMPERE) measurement datasets. The analysis from these results will enable the generation of globally assimilated storm time IT state estimates for future studies. In particular, the ability to provide data assimilated estimation of the drivers of the IT system from high to low latitudes is a critical step toward forecasting the influence of geomagnetic storms on the near Earth space environment.

Efficient method for computing the maximum-likelihood quantum state from measurements with additive Gaussian noise.

PubMed

Smolin, John A; Gambetta, Jay M; Smith, Graeme

2012-02-17

We provide an efficient method for computing the maximum-likelihood mixed quantum state (with density matrix ρ) given a set of measurement outcomes in a complete orthonormal operator basis subject to Gaussian noise. Our method works by first changing basis yielding a candidate density matrix μ which may have nonphysical (negative) eigenvalues, and then finding the nearest physical state under the 2-norm. Our algorithm takes at worst O(d(4)) for the basis change plus O(d(3)) for finding ρ where d is the dimension of the quantum state. In the special case where the measurement basis is strings of Pauli operators, the basis change takes only O(d(3)) as well. The workhorse of the algorithm is a new linear-time method for finding the closest probability distribution (in Euclidean distance) to a set of real numbers summing to one.

Reduced order surrogate modelling (ROSM) of high dimensional deterministic simulations

NASA Astrophysics Data System (ADS)

Mitry, Mina

Often, computationally expensive engineering simulations can prohibit the engineering design process. As a result, designers may turn to a less computationally demanding approximate, or surrogate, model to facilitate their design process. However, owing to the the curse of dimensionality, classical surrogate models become too computationally expensive for high dimensional data. To address this limitation of classical methods, we develop linear and non-linear Reduced Order Surrogate Modelling (ROSM) techniques. Two algorithms are presented, which are based on a combination of linear/kernel principal component analysis and radial basis functions. These algorithms are applied to subsonic and transonic aerodynamic data, as well as a model for a chemical spill in a channel. The results of this thesis show that ROSM can provide a significant computational benefit over classical surrogate modelling, sometimes at the expense of a minor loss in accuracy.

Monte Carlo explicitly correlated second-order many-body perturbation theory

NASA Astrophysics Data System (ADS)

Johnson, Cole M.; Doran, Alexander E.; Zhang, Jinmei; Valeev, Edward F.; Hirata, So

2016-10-01

A stochastic algorithm is proposed and implemented that computes a basis-set-incompleteness (F12) correction to an ab initio second-order many-body perturbation energy as a short sum of 6- to 15-dimensional integrals of Gaussian-type orbitals, an explicit function of the electron-electron distance (geminal), and its associated excitation amplitudes held fixed at the values suggested by Ten-no. The integrals are directly evaluated (without a resolution-of-the-identity approximation or an auxiliary basis set) by the Metropolis Monte Carlo method. Applications of this method to 17 molecular correlation energies and 12 gas-phase reaction energies reveal that both the nonvariational and variational formulas for the correction give reliable correlation energies (98% or higher) and reaction energies (within 2 kJ mol-1 with a smaller statistical uncertainty) near the complete-basis-set limits by using just the aug-cc-pVDZ basis set. The nonvariational formula is found to be 2-10 times less expensive to evaluate than the variational one, though the latter yields energies that are bounded from below and is, therefore, slightly but systematically more accurate for energy differences. Being capable of using virtually any geminal form, the method confirms the best overall performance of the Slater-type geminal among 6 forms satisfying the same cusp conditions. Not having to precompute lower-dimensional integrals analytically, to store them on disk, or to transform them in a nonscalable dense-matrix-multiplication algorithm, the method scales favorably with both system size and computer size; the cost increases only as O(n4) with the number of orbitals (n), and its parallel efficiency reaches 99.9% of the ideal case on going from 16 to 4096 computer processors.

Guidelines for VCCT-Based Interlaminar Fatigue and Progressive Failure Finite Element Analysis

NASA Technical Reports Server (NTRS)

Deobald, Lyle R.; Mabson, Gerald E.; Engelstad, Steve; Prabhakar, M.; Gurvich, Mark; Seneviratne, Waruna; Perera, Shenal; O'Brien, T. Kevin; Murri, Gretchen; Ratcliffe, James;

Using Mathematics to Make Computing on Encrypted Data Secure and Practical

DTIC Science & Technology

2015-12-01

LLL) lattice basis reduction algorithm, G-Lattice, Cryptography , Security, Gentry-Szydlo Algorithm, Ring-LWE 16. SECURITY CLASSIFICATION OF: 17...with symmetry be further developed, in order to quantify the security of lattice-based cryptography , including especially the security of homomorphic...the Gentry-Szydlo algorithm, and the ideas should be applicable to a range of questions in cryptography . The new algorithm of Lenstra and Silverberg

Plant Growth Biophysics: the Basis for Growth Asymmetry Induced by Gravity

NASA Technical Reports Server (NTRS)

Cosgrove, D.

1985-01-01

The identification and quantification of the physical properties altered by gravity when plant stems grow upward was studied. Growth of the stem in vertical and horizontal positions was recorded by time lapse photography. A computer program that uses a cubic spline fitting algorithm was used to calculate the growth rate and curvature of the stem as a function of time. Plant stems were tested to ascertain whether cell osmotic pressure was altered by gravity. A technique for measuring the yielding properties of the cell wall was developed.

Strategies for concurrent processing of complex algorithms in data driven architectures

NASA Technical Reports Server (NTRS)

Stoughton, John W.; Mielke, Roland R.

1988-01-01

Research directed at developing a graph theoretical model for describing data and control flow associated with the execution of large grained algorithms in a special distributed computer environment is presented. This model is identified by the acronym ATAMM which represents Algorithms To Architecture Mapping Model. The purpose of such a model is to provide a basis for establishing rules for relating an algorithm to its execution in a multiprocessor environment. Specifications derived from the model lead directly to the description of a data flow architecture which is a consequence of the inherent behavior of the data and control flow described by the model. The purpose of the ATAMM based architecture is to provide an analytical basis for performance evaluation. The ATAMM model and architecture specifications are demonstrated on a prototype system for concept validation.

Computer-aided US diagnosis of breast lesions by using cell-based contour grouping.

PubMed

Cheng, Jie-Zhi; Chou, Yi-Hong; Huang, Chiun-Sheng; Chang, Yeun-Chung; Tiu, Chui-Mei; Chen, Kuei-Wu; Chen, Chung-Ming

2010-06-01

To develop a computer-aided diagnostic algorithm with automatic boundary delineation for differential diagnosis of benign and malignant breast lesions at ultrasonography (US) and investigate the effect of boundary quality on the performance of a computer-aided diagnostic algorithm. This was an institutional review board-approved retrospective study with waiver of informed consent. A cell-based contour grouping (CBCG) segmentation algorithm was used to delineate the lesion boundaries automatically. Seven morphologic features were extracted. The classifier was a logistic regression function. Five hundred twenty breast US scans were obtained from 520 subjects (age range, 15-89 years), including 275 benign (mean size, 15 mm; range, 5-35 mm) and 245 malignant (mean size, 18 mm; range, 8-29 mm) lesions. The newly developed computer-aided diagnostic algorithm was evaluated on the basis of boundary quality and differentiation performance. The segmentation algorithms and features in two conventional computer-aided diagnostic algorithms were used for comparative study. The CBCG-generated boundaries were shown to be comparable with the manually delineated boundaries. The area under the receiver operating characteristic curve (AUC) and differentiation accuracy were 0.968 +/- 0.010 and 93.1% +/- 0.7, respectively, for all 520 breast lesions. At the 5% significance level, the newly developed algorithm was shown to be superior to the use of the boundaries and features of the two conventional computer-aided diagnostic algorithms in terms of AUC (0.974 +/- 0.007 versus 0.890 +/- 0.008 and 0.788 +/- 0.024, respectively). The newly developed computer-aided diagnostic algorithm that used a CBCG segmentation method to measure boundaries achieved a high differentiation performance. Copyright RSNA, 2010

The quantum dynamics of electronically nonadiabatic chemical reactions

NASA Technical Reports Server (NTRS)

Truhlar, Donald G.

1993-01-01

Considerable progress was achieved on the quantum mechanical treatment of electronically nonadiabatic collisions involving energy transfer and chemical reaction in the collision of an electronically excited atom with a molecule. In the first step, a new diabatic representation for the coupled potential energy surfaces was created. A two-state diabatic representation was developed which was designed to realistically reproduce the two lowest adiabatic states of the valence bond model and also to have the following three desirable features: (1) it is more economical to evaluate; (2) it is more portable; and (3) all spline fits are replaced by analytic functions. The new representation consists of a set of two coupled diabatic potential energy surfaces plus a coupling surface. It is suitable for dynamics calculations on both the electronic quenching and reaction processes in collisions of Na(3p2p) with H2. The new two-state representation was obtained by a three-step process from a modified eight-state diatomics-in-molecules (DIM) representation of Blais. The second step required the development of new dynamical methods. A formalism was developed for treating reactions with very general basis functions including electronically excited states. Our formalism is based on the generalized Newton, scattered wave, and outgoing wave variational principles that were used previously for reactive collisions on a single potential energy surface, and it incorporates three new features: (1) the basis functions include electronic degrees of freedom, as required to treat reactions involving electronic excitation and two or more coupled potential energy surfaces; (2) the primitive electronic basis is assumed to be diabatic, and it is not assumed that it diagonalizes the electronic Hamiltonian even asymptotically; and (3) contracted basis functions for vibrational-rotational-orbital degrees of freedom are included in a very general way, similar to previous prescriptions for locally adiabatic functions in various quantum scattering algorithms.

17 CFR Appendix A to Part 37 - Guidance on Compliance With Registration Criteria

Code of Federal Regulations, 2011 CFR

2011-04-01

... facility should include the system's trade-matching algorithm and order entry procedures. A submission involving a trade-matching algorithm that is based on order priority factors other than on a best price/earliest time basis should include a brief explanation of the alternative algorithm. (b) A board of trade's...

17 CFR Appendix A to Part 37 - Guidance on Compliance With Registration Criteria

Code of Federal Regulations, 2012 CFR

2012-04-01

... facility should include the system's trade-matching algorithm and order entry procedures. A submission involving a trade-matching algorithm that is based on order priority factors other than on a best price/earliest time basis should include a brief explanation of the alternative algorithm. (b) A board of trade's...

77 FR 59444 - Self-Regulatory Organizations; Chicago Board Options Exchange, Incorporated; Notice of Filing and...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-09-27

... provides a ``menu'' of matching algorithms to choose from when executing incoming electronic orders. The menu format allows the Exchange to utilize different matching algorithms on a class-by-class basis. The menu includes, among other choices, the ultimate matching algorithm (``UMA''), as well as price-time...

76 FR 13688 - Self-Regulatory Organizations; C2 Options Exchange, Incorporated; Notice of Filing and Immediate...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-03-14

... class-by-class basis which electronic allocation algorithm \\6\\ would apply for rotations. Currently Rule... opening price (with multiple quotes and orders being ranked in accordance with the allocation algorithm in... and quotes ranked in accordance with the allocation algorithm in effect for the class). Any remaining...

75 FR 27850 - Self-Regulatory Organizations; Chicago Board Options Exchange, Incorporated; Notice of Filing of...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-05-18

... Change, as Modified by Amendment No. 1 Thereto, Related to the Hybrid Matching Algorithms May 12, 2010... allocation algorithms to choose from when executing incoming electronic orders. The menu format allows the Exchange to utilize different allocation algorithms on a class-by-class basis. The menu includes, among...

Study on the algorithm of computational ghost imaging based on discrete fourier transform measurement matrix

NASA Astrophysics Data System (ADS)

Zhang, Leihong; Liang, Dong; Li, Bei; Kang, Yi; Pan, Zilan; Zhang, Dawei; Gao, Xiumin; Ma, Xiuhua

2016-07-01

On the basis of analyzing the cosine light field with determined analytic expression and the pseudo-inverse method, the object is illuminated by a presetting light field with a determined discrete Fourier transform measurement matrix, and the object image is reconstructed by the pseudo-inverse method. The analytic expression of the algorithm of computational ghost imaging based on discrete Fourier transform measurement matrix is deduced theoretically, and compared with the algorithm of compressive computational ghost imaging based on random measurement matrix. The reconstruction process and the reconstruction error are analyzed. On this basis, the simulation is done to verify the theoretical analysis. When the sampling measurement number is similar to the number of object pixel, the rank of discrete Fourier transform matrix is the same as the one of the random measurement matrix, the PSNR of the reconstruction image of FGI algorithm and PGI algorithm are similar, the reconstruction error of the traditional CGI algorithm is lower than that of reconstruction image based on FGI algorithm and PGI algorithm. As the decreasing of the number of sampling measurement, the PSNR of reconstruction image based on FGI algorithm decreases slowly, and the PSNR of reconstruction image based on PGI algorithm and CGI algorithm decreases sharply. The reconstruction time of FGI algorithm is lower than that of other algorithms and is not affected by the number of sampling measurement. The FGI algorithm can effectively filter out the random white noise through a low-pass filter and realize the reconstruction denoising which has a higher denoising capability than that of the CGI algorithm. The FGI algorithm can improve the reconstruction accuracy and the reconstruction speed of computational ghost imaging.

Optimizing high performance computing workflow for protein functional annotation.

PubMed

Stanberry, Larissa; Rekepalli, Bhanu; Liu, Yuan; Giblock, Paul; Higdon, Roger; Montague, Elizabeth; Broomall, William; Kolker, Natali; Kolker, Eugene

2014-09-10

Functional annotation of newly sequenced genomes is one of the major challenges in modern biology. With modern sequencing technologies, the protein sequence universe is rapidly expanding. Newly sequenced bacterial genomes alone contain over 7.5 million proteins. The rate of data generation has far surpassed that of protein annotation. The volume of protein data makes manual curation infeasible, whereas a high compute cost limits the utility of existing automated approaches. In this work, we present an improved and optmized automated workflow to enable large-scale protein annotation. The workflow uses high performance computing architectures and a low complexity classification algorithm to assign proteins into existing clusters of orthologous groups of proteins. On the basis of the Position-Specific Iterative Basic Local Alignment Search Tool the algorithm ensures at least 80% specificity and sensitivity of the resulting classifications. The workflow utilizes highly scalable parallel applications for classification and sequence alignment. Using Extreme Science and Engineering Discovery Environment supercomputers, the workflow processed 1,200,000 newly sequenced bacterial proteins. With the rapid expansion of the protein sequence universe, the proposed workflow will enable scientists to annotate big genome data.

Fault detection and diagnosis for non-Gaussian stochastic distribution systems with time delays via RBF neural networks.

PubMed

Yi, Qu; Zhan-ming, Li; Er-chao, Li

2012-11-01

A new fault detection and diagnosis (FDD) problem via the output probability density functions (PDFs) for non-gausian stochastic distribution systems (SDSs) is investigated. The PDFs can be approximated by radial basis functions (RBFs) neural networks. Different from conventional FDD problems, the measured information for FDD is the output stochastic distributions and the stochastic variables involved are not confined to Gaussian ones. A (RBFs) neural network technique is proposed so that the output PDFs can be formulated in terms of the dynamic weighings of the RBFs neural network. In this work, a nonlinear adaptive observer-based fault detection and diagnosis algorithm is presented by introducing the tuning parameter so that the residual is as sensitive as possible to the fault. Stability and Convergency analysis is performed in fault detection and fault diagnosis analysis for the error dynamic system. At last, an illustrated example is given to demonstrate the efficiency of the proposed algorithm, and satisfactory results have been obtained. Copyright © 2012 ISA. Published by Elsevier Ltd. All rights reserved.

Optimizing high performance computing workflow for protein functional annotation

PubMed Central

Stanberry, Larissa; Rekepalli, Bhanu; Liu, Yuan; Giblock, Paul; Higdon, Roger; Montague, Elizabeth; Broomall, William; Kolker, Natali; Kolker, Eugene

2014-01-01

Functional annotation of newly sequenced genomes is one of the major challenges in modern biology. With modern sequencing technologies, the protein sequence universe is rapidly expanding. Newly sequenced bacterial genomes alone contain over 7.5 million proteins. The rate of data generation has far surpassed that of protein annotation. The volume of protein data makes manual curation infeasible, whereas a high compute cost limits the utility of existing automated approaches. In this work, we present an improved and optmized automated workflow to enable large-scale protein annotation. The workflow uses high performance computing architectures and a low complexity classification algorithm to assign proteins into existing clusters of orthologous groups of proteins. On the basis of the Position-Specific Iterative Basic Local Alignment Search Tool the algorithm ensures at least 80% specificity and sensitivity of the resulting classifications. The workflow utilizes highly scalable parallel applications for classification and sequence alignment. Using Extreme Science and Engineering Discovery Environment supercomputers, the workflow processed 1,200,000 newly sequenced bacterial proteins. With the rapid expansion of the protein sequence universe, the proposed workflow will enable scientists to annotate big genome data. PMID:25313296

Gröbner Bases and Generation of Difference Schemes for Partial Differential Equations

NASA Astrophysics Data System (ADS)

Gerdt, Vladimir P.; Blinkov, Yuri A.; Mozzhilkin, Vladimir V.

2006-05-01

In this paper we present an algorithmic approach to the generation of fully conservative difference schemes for linear partial differential equations. The approach is based on enlargement of the equations in their integral conservation law form by extra integral relations between unknown functions and their derivatives, and on discretization of the obtained system. The structure of the discrete system depends on numerical approximation methods for the integrals occurring in the enlarged system. As a result of the discretization, a system of linear polynomial difference equations is derived for the unknown functions and their partial derivatives. A difference scheme is constructed by elimination of all the partial derivatives. The elimination can be achieved by selecting a proper elimination ranking and by computing a Gröbner basis of the linear difference ideal generated by the polynomials in the discrete system. For these purposes we use the difference form of Janet-like Gröbner bases and their implementation in Maple. As illustration of the described methods and algorithms, we construct a number of difference schemes for Burgers and Falkowich-Karman equations and discuss their numerical properties.

Hyperspectral recognition of processing tomato early blight based on GA and SVM

NASA Astrophysics Data System (ADS)

Yin, Xiaojun; Zhao, SiFeng

2013-03-01

Processing tomato early blight seriously affect the yield and quality of its.Determine the leaves spectrum of different disease severity level of processing tomato early blight.We take the sensitive bands of processing tomato early blight as support vector machine input vector.Through the genetic algorithm(GA) to optimize the parameters of SVM, We could recognize different disease severity level of processing tomato early blight.The result show:the sensitive bands of different disease severity levels of processing tomato early blight is 628-643nm and 689-692nm.The sensitive bands are as the GA and SVM input vector.We get the best penalty parameters is 0.129 and kernel function parameters is 3.479.We make classification training and testing by polynomial nuclear,radial basis function nuclear,Sigmoid nuclear.The best classification model is the radial basis function nuclear of SVM. Training accuracy is 84.615%,Testing accuracy is 80.681%.It is combined GA and SVM to achieve multi-classification of processing tomato early blight.It is provided the technical support of prediction processing tomato early blight occurrence, development and diffusion rule in large areas.

Density Functional O(N) Calculations

NASA Astrophysics Data System (ADS)

Ordejón, Pablo

1998-03-01

We have developed a scheme for performing Density Functional Theory calculations with O(N) scaling.(P. Ordejón, E. Artacho and J. M. Soler, Phys. Rev. B, 53), 10441 (1996) The method uses arbitrarily flexible and complete Atomic Orbitals (AO) basis sets. This gives a wide range of choice, from extremely fast calculations with minimal basis sets, to greatly accurate calculations with complete sets. The size-efficiency of AO bases, together with the O(N) scaling of the algorithm, allow the application of the method to systems with many hundreds of atoms, in single processor workstations. I will present the SIESTA code,(D. Sanchez-Portal, P. Ordejón, E. Artacho and J. M. Soler, Int. J. Quantum Chem., 65), 453 (1997) in which the method is implemented, with several LDA, LSD and GGA functionals available, and using norm-conserving, non-local pseudopotentials (in the Kleinman-Bylander form) to eliminate the core electrons. The calculation of static properties such as energies, forces, pressure, stress and magnetic moments, as well as molecular dynamics (MD) simulations capabilities (including variable cell shape, constant temperature and constant pressure MD) are fully implemented. I will also show examples of the accuracy of the method, and applications to large-scale materials and biomolecular systems.

Towards improving the NASA standard soil moisture retrieval algorithm and product

NASA Astrophysics Data System (ADS)

Mladenova, I. E.; Jackson, T. J.; Njoku, E. G.; Bindlish, R.; Cosh, M. H.; Chan, S.

2013-12-01

Soil moisture mapping using passive-based microwave remote sensing techniques has proven to be one of the most effective ways of acquiring reliable global soil moisture information on a routine basis. An important step in this direction was made by the launch of the Advanced Microwave Scanning Radiometer on the NASA's Earth Observing System Aqua satellite (AMSR-E). Along with the standard NASA algorithm and operational AMSR-E product, the easy access and availability of the AMSR-E data promoted the development and distribution of alternative retrieval algorithms and products. Several evaluation studies have demonstrated issues with the standard NASA AMSR-E product such as dampened temporal response and limited range of the final retrievals and noted that the available global passive-based algorithms, even though based on the same electromagnetic principles, produce different results in terms of accuracy and temporal dynamics. Our goal is to identify the theoretical causes that determine the reduced sensitivity of the NASA AMSR-E product and outline ways to improve the operational NASA algorithm, if possible. Properly identifying the underlying reasons that cause the above mentioned features of the NASA AMSR-E product and differences between the alternative algorithms requires a careful examination of the theoretical basis of each approach. Specifically, the simplifying assumptions and parametrization approaches adopted by each algorithm to reduce the dimensionality of unknowns and characterize the observing system. Statistically-based error analyses, which are useful and necessary, provide information on the relative accuracy of each product but give very little information on the theoretical causes, knowledge that is essential for algorithm improvement. Thus, we are currently examining the possibility of improving the standard NASA AMSR-E global soil moisture product by conducting a thorough theoretically-based review of and inter-comparisons between several well established global retrieval techniques. A detailed discussion focused on the theoretical basis of each approach and algorithms sensitivity to assumptions and parametrization approaches will be presented. USDA is an equal opportunity provider and employer.

Improved algorithms for the retrieval of the h2 Love number of Mercury from laser altimetry data

NASA Astrophysics Data System (ADS)

Thor, Robin; Kallenbach, Reinald; Christensen, Ulrich; Oberst, Jürgen; Stark, Alexander; Steinbrügge, Gregor

2017-04-01

We simulate measurements to be performed by the BepiColombo laser altimeter (BELA) aboard the Mercury Planetary Orbiter (MPO) of the BepiColombo mission and investigate whether coverage and accuracy will be sufficient to retrieve the h2 Love number of Mercury. The h2 Love number describes the tidal response of Mercury's surface and is a function of the materials in its interior and their properties and distribution. Therefore, it can serve as an important constraint for models of the internal structure. The tide-generating potential from the Sun causes periodic radial displacements of up to ˜2 m on Mercury which can be detected by laser altimetry. In this study, we simultaneously extract the static global shape, parametrized by local basis functions, and its variability in time. The usage of cubic splines as local basis functions in both longitudinal and latitudinal direction provides an improvement over the methodology of Koch et al. (2010, Planetary and Space Science, 58(14), 2022-2030) who used cubic splines in longitudinal direction, but only step functions in latitudinal direction. We achieve a relative 1σ accuracy of the h2 Love number of 1.7% assuming nominal data acquisition for BELA during a one-year mission, but considering only stochastic noise.

Generalizing the self-healing diffusion Monte Carlo approach to finite temperature: a path for the optimization of low-energy many-body bases.

PubMed

Reboredo, Fernando A; Kim, Jeongnim

2014-02-21

A statistical method is derived for the calculation of thermodynamic properties of many-body systems at low temperatures. This method is based on the self-healing diffusion Monte Carlo method for complex functions [F. A. Reboredo, J. Chem. Phys. 136, 204101 (2012)] and some ideas of the correlation function Monte Carlo approach [D. M. Ceperley and B. Bernu, J. Chem. Phys. 89, 6316 (1988)]. In order to allow the evolution in imaginary time to describe the density matrix, we remove the fixed-node restriction using complex antisymmetric guiding wave functions. In the process we obtain a parallel algorithm that optimizes a small subspace of the many-body Hilbert space to provide maximum overlap with the subspace spanned by the lowest-energy eigenstates of a many-body Hamiltonian. We show in a model system that the partition function is progressively maximized within this subspace. We show that the subspace spanned by the small basis systematically converges towards the subspace spanned by the lowest energy eigenstates. Possible applications of this method for calculating the thermodynamic properties of many-body systems near the ground state are discussed. The resulting basis can also be used to accelerate the calculation of the ground or excited states with quantum Monte Carlo.

Generalizing the self-healing diffusion Monte Carlo approach to finite temperature: A path for the optimization of low-energy many-body bases

NASA Astrophysics Data System (ADS)

Reboredo, Fernando A.; Kim, Jeongnim

2014-02-01

A statistical method is derived for the calculation of thermodynamic properties of many-body systems at low temperatures. This method is based on the self-healing diffusion Monte Carlo method for complex functions [F. A. Reboredo, J. Chem. Phys. 136, 204101 (2012)] and some ideas of the correlation function Monte Carlo approach [D. M. Ceperley and B. Bernu, J. Chem. Phys. 89, 6316 (1988)]. In order to allow the evolution in imaginary time to describe the density matrix, we remove the fixed-node restriction using complex antisymmetric guiding wave functions. In the process we obtain a parallel algorithm that optimizes a small subspace of the many-body Hilbert space to provide maximum overlap with the subspace spanned by the lowest-energy eigenstates of a many-body Hamiltonian. We show in a model system that the partition function is progressively maximized within this subspace. We show that the subspace spanned by the small basis systematically converges towards the subspace spanned by the lowest energy eigenstates. Possible applications of this method for calculating the thermodynamic properties of many-body systems near the ground state are discussed. The resulting basis can also be used to accelerate the calculation of the ground or excited states with quantum Monte Carlo.

Application of Improved APO Algorithm in Vulnerability Assessment and Reconstruction of Microgrid

NASA Astrophysics Data System (ADS)

Xie, Jili; Ma, Hailing

2018-01-01

Artificial Physics Optimization (APO) has good global search ability and can avoid the premature convergence phenomenon in PSO algorithm, which has good stability of fast convergence and robustness. On the basis of APO of the vector model, a reactive power optimization algorithm based on improved APO algorithm is proposed for the static structure and dynamic operation characteristics of microgrid. The simulation test is carried out through the IEEE 30-bus system and the result shows that the algorithm has better efficiency and accuracy compared with other optimization algorithms.

Planetary Transmission Diagnostics

NASA Technical Reports Server (NTRS)

Lewicki, David G. (Technical Monitor); Samuel, Paul D.; Conroy, Joseph K.; Pines, Darryll J.

2004-01-01

This report presents a methodology for detecting and diagnosing gear faults in the planetary stage of a helicopter transmission. This diagnostic technique is based on the constrained adaptive lifting algorithm. The lifting scheme, developed by Wim Sweldens of Bell Labs, is a time domain, prediction-error realization of the wavelet transform that allows for greater flexibility in the construction of wavelet bases. Classic lifting analyzes a given signal using wavelets derived from a single fundamental basis function. A number of researchers have proposed techniques for adding adaptivity to the lifting scheme, allowing the transform to choose from a set of fundamental bases the basis that best fits the signal. This characteristic is desirable for gear diagnostics as it allows the technique to tailor itself to a specific transmission by selecting a set of wavelets that best represent vibration signals obtained while the gearbox is operating under healthy-state conditions. However, constraints on certain basis characteristics are necessary to enhance the detection of local wave-form changes caused by certain types of gear damage. The proposed methodology analyzes individual tooth-mesh waveforms from a healthy-state gearbox vibration signal that was generated using the vibration separation (synchronous signal-averaging) algorithm. Each waveform is separated into analysis domains using zeros of its slope and curvature. The bases selected in each analysis domain are chosen to minimize the prediction error, and constrained to have the same-sign local slope and curvature as the original signal. The resulting set of bases is used to analyze future-state vibration signals and the lifting prediction error is inspected. The constraints allow the transform to effectively adapt to global amplitude changes, yielding small prediction errors. However, local wave-form changes associated with certain types of gear damage are poorly adapted, causing a significant change in the prediction error. The constrained adaptive lifting diagnostic algorithm is validated using data collected from the University of Maryland Transmission Test Rig and the results are discussed.

STEP and STEPSPL: Computer programs for aerodynamic model structure determination and parameter estimation

NASA Technical Reports Server (NTRS)

Batterson, J. G.

1986-01-01

The successful parametric modeling of the aerodynamics for an airplane operating at high angles of attack or sideslip is performed in two phases. First the aerodynamic model structure must be determined and second the associated aerodynamic parameters (stability and control derivatives) must be estimated for that model. The purpose of this paper is to document two versions of a stepwise regression computer program which were developed for the determination of airplane aerodynamic model structure and to provide two examples of their use on computer generated data. References are provided for the application of the programs to real flight data. The two computer programs that are the subject of this report, STEP and STEPSPL, are written in FORTRAN IV (ANSI l966) compatible with a CDC FTN4 compiler. Both programs are adaptations of a standard forward stepwise regression algorithm. The purpose of the adaptation is to facilitate the selection of a adequate mathematical model of the aerodynamic force and moment coefficients of an airplane from flight test data. The major difference between STEP and STEPSPL is in the basis for the model. The basis for the model in STEP is the standard polynomial Taylor's series expansion of the aerodynamic function about some steady-state trim condition. Program STEPSPL utilizes a set of spline basis functions.

Influence Function Learning in Information Diffusion Networks.

PubMed

Du, Nan; Liang, Yingyu; Balcan, Maria-Florina; Song, Le

2014-06-01

Can we learn the influence of a set of people in a social network from cascades of information diffusion? This question is often addressed by a two-stage approach: first learn a diffusion model, and then calculate the influence based on the learned model. Thus, the success of this approach relies heavily on the correctness of the diffusion model which is hard to verify for real world data. In this paper, we exploit the insight that the influence functions in many diffusion models are coverage functions, and propose a novel parameterization of such functions using a convex combination of random basis functions. Moreover, we propose an efficient maximum likelihood based algorithm to learn such functions directly from cascade data, and hence bypass the need to specify a particular diffusion model in advance. We provide both theoretical and empirical analysis for our approach, showing that the proposed approach can provably learn the influence function with low sample complexity, be robust to the unknown diffusion models, and significantly outperform existing approaches in both synthetic and real world data.

On the Hilbert-Huang Transform Theoretical Developments

NASA Technical Reports Server (NTRS)

Kizhner, Semion; Blank, Karin; Flatley, Thomas; Huang, Norden E.; Patrick, David; Hestnes, Phyllis

2005-01-01

One of the main heritage tools used in scientific and engineering data spectrum analysis is the Fourier Integral Transform and its high performance digital equivalent - the Fast Fourier Transform (FFT). Both carry strong a-priori assumptions about the source data, such as linearity, of being stationary, and of satisfying the Dirichlet conditions. A recent development at the National Aeronautics and Space Administration (NASA) Goddard Space Flight Center (GSFC), known as the Hilbert-Huang Transform (HHT), proposes a novel approach to the solution for the nonlinear class of spectrum analysis problems. Using a-posteriori data processing based on the Empirical Mode Decomposition (EMD) sifting process (algorithm), followed by the normalized Hilbert Transform of the decomposition data, the HHT allows spectrum analysis of nonlinear and nonstationary data. The EMD sifting process results in a non-constrained decomposition of a source real value data vector into a finite set of Intrinsic Mode Functions (IMF). These functions form a near orthogonal adaptive basis, a basis that is derived from the data. The IMFs can be further analyzed for spectrum interpretation by the classical Hilbert Transform. A new engineering spectrum analysis tool using HHT has been developed at NASA GSFC, the HHT Data Processing System (HHT-DPS). As the HHT-DPS has been successfully used and commercialized, new applications post additional questions about the theoretical basis behind the HHT and EMD algorithms. Why is the fastest changing component of a composite signal being sifted out first in the EMD sifting process? Why does the EMD sifting process seemingly converge and why does it converge rapidly? Does an IMF have a distinctive structure? Why are the IMFs near orthogonal? We address these questions and develop the initial theoretical background for the HHT. This will contribute to the developments of new HHT processing options, such as real-time and 2-D processing using Field Programmable Array (FPGA) computational resources, enhanced HHT synthesis, and broaden the scope of HHT applications for signal processing.

Stochastic subset selection for learning with kernel machines.

PubMed

Rhinelander, Jason; Liu, Xiaoping P

2012-06-01

Kernel machines have gained much popularity in applications of machine learning. Support vector machines (SVMs) are a subset of kernel machines and generalize well for classification, regression, and anomaly detection tasks. The training procedure for traditional SVMs involves solving a quadratic programming (QP) problem. The QP problem scales super linearly in computational effort with the number of training samples and is often used for the offline batch processing of data. Kernel machines operate by retaining a subset of observed data during training. The data vectors contained within this subset are referred to as support vectors (SVs). The work presented in this paper introduces a subset selection method for the use of kernel machines in online, changing environments. Our algorithm works by using a stochastic indexing technique when selecting a subset of SVs when computing the kernel expansion. The work described here is novel because it separates the selection of kernel basis functions from the training algorithm used. The subset selection algorithm presented here can be used in conjunction with any online training technique. It is important for online kernel machines to be computationally efficient due to the real-time requirements of online environments. Our algorithm is an important contribution because it scales linearly with the number of training samples and is compatible with current training techniques. Our algorithm outperforms standard techniques in terms of computational efficiency and provides increased recognition accuracy in our experiments. We provide results from experiments using both simulated and real-world data sets to verify our algorithm.

Detection and clustering of features in aerial images by neuron network-based algorithm

NASA Astrophysics Data System (ADS)

Vozenilek, Vit

2015-12-01

The paper presents the algorithm for detection and clustering of feature in aerial photographs based on artificial neural networks. The presented approach is not focused on the detection of specific topographic features, but on the combination of general features analysis and their use for clustering and backward projection of clusters to aerial image. The basis of the algorithm is a calculation of the total error of the network and a change of weights of the network to minimize the error. A classic bipolar sigmoid was used for the activation function of the neurons and the basic method of backpropagation was used for learning. To verify that a set of features is able to represent the image content from the user's perspective, the web application was compiled (ASP.NET on the Microsoft .NET platform). The main achievements include the knowledge that man-made objects in aerial images can be successfully identified by detection of shapes and anomalies. It was also found that the appropriate combination of comprehensive features that describe the colors and selected shapes of individual areas can be useful for image analysis.

Determination of benzo[a]pyrene in cigarette mainstream smoke by using mid-infrared spectroscopy associated with a novel chemometric algorithm.

PubMed

Zhang, Yan; Zou, Hong-Yan; Shi, Pei; Yang, Qin; Tang, Li-Juan; Jiang, Jian-Hui; Wu, Hai-Long; Yu, Ru-Qin

2016-01-01

Determination of benzo[a]pyrene (BaP) in cigarette smoke can be very important for the tobacco quality control and the assessment of its harm to human health. In this study, mid-infrared spectroscopy (MIR) coupled to chemometric algorithm (DPSO-WPT-PLS), which was based on the wavelet packet transform (WPT), discrete particle swarm optimization algorithm (DPSO) and partial least squares regression (PLS), was used to quantify harmful ingredient benzo[a]pyrene in the cigarette mainstream smoke with promising result. Furthermore, the proposed method provided better performance compared to several other chemometric models, i.e., PLS, radial basis function-based PLS (RBF-PLS), PLS with stepwise regression variable selection (Stepwise-PLS) as well as WPT-PLS with informative wavelet coefficients selected by correlation coefficient test (rtest-WPT-PLS). It can be expected that the proposed strategy could become a new effective, rapid quantitative analysis technique in analyzing the harmful ingredient BaP in cigarette mainstream smoke. Copyright © 2015 Elsevier B.V. All rights reserved.

Bands selection and classification of hyperspectral images based on hybrid kernels SVM by evolutionary algorithm

NASA Astrophysics Data System (ADS)

Hu, Yan-Yan; Li, Dong-Sheng

2016-01-01

The hyperspectral images(HSI) consist of many closely spaced bands carrying the most object information. While due to its high dimensionality and high volume nature, it is hard to get satisfactory classification performance. In order to reduce HSI data dimensionality preparation for high classification accuracy, it is proposed to combine a band selection method of artificial immune systems (AIS) with a hybrid kernels support vector machine (SVM-HK) algorithm. In fact, after comparing different kernels for hyperspectral analysis, the approach mixed radial basis function kernel (RBF-K) with sigmoid kernel (Sig-K) and applied the optimized hybrid kernels in SVM classifiers. Then the SVM-HK algorithm used to induce the bands selection of an improved version of AIS. The AIS was composed of clonal selection and elite antibody mutation, including evaluation process with optional index factor (OIF). Experimental classification performance was on a San Diego Naval Base acquired by AVIRIS, the HRS dataset shows that the method is able to efficiently achieve bands redundancy removal while outperforming the traditional SVM classifier.

Identification of multivariable nonlinear systems in the presence of colored noises using iterative hierarchical least squares algorithm.

PubMed

Jafari, Masoumeh; Salimifard, Maryam; Dehghani, Maryam

2014-07-01

This paper presents an efficient method for identification of nonlinear Multi-Input Multi-Output (MIMO) systems in the presence of colored noises. The method studies the multivariable nonlinear Hammerstein and Wiener models, in which, the nonlinear memory-less block is approximated based on arbitrary vector-based basis functions. The linear time-invariant (LTI) block is modeled by an autoregressive moving average with exogenous (ARMAX) model which can effectively describe the moving average noises as well as the autoregressive and the exogenous dynamics. According to the multivariable nature of the system, a pseudo-linear-in-the-parameter model is obtained which includes two different kinds of unknown parameters, a vector and a matrix. Therefore, the standard least squares algorithm cannot be applied directly. To overcome this problem, a Hierarchical Least Squares Iterative (HLSI) algorithm is used to simultaneously estimate the vector and the matrix of unknown parameters as well as the noises. The efficiency of the proposed identification approaches are investigated through three nonlinear MIMO case studies. Copyright © 2014 ISA. Published by Elsevier Ltd. All rights reserved.

Comparison of probability statistics for automated ship detection in SAR imagery

NASA Astrophysics Data System (ADS)

Henschel, Michael D.; Rey, Maria T.; Campbell, J. W. M.; Petrovic, D.

1998-12-01

This paper discuses the initial results of a recent operational trial of the Ocean Monitoring Workstation's (OMW) ship detection algorithm which is essentially a Constant False Alarm Rate filter applied to Synthetic Aperture Radar data. The choice of probability distribution and methodologies for calculating scene specific statistics are discussed in some detail. An empirical basis for the choice of probability distribution used is discussed. We compare the results using a l-look, k-distribution function with various parameter choices and methods of estimation. As a special case of sea clutter statistics the application of a (chi) 2-distribution is also discussed. Comparisons are made with reference to RADARSAT data collected during the Maritime Command Operation Training exercise conducted in Atlantic Canadian Waters in June 1998. Reference is also made to previously collected statistics. The OMW is a commercial software suite that provides modules for automated vessel detection, oil spill monitoring, and environmental monitoring. This work has been undertaken to fine tune the OMW algorithm's, with special emphasis on the false alarm rate of each algorithm.

Angles-centroids fitting calibration and the centroid algorithm applied to reverse Hartmann test

NASA Astrophysics Data System (ADS)

Zhao, Zhu; Hui, Mei; Xia, Zhengzheng; Dong, Liquan; Liu, Ming; Liu, Xiaohua; Kong, Lingqin; Zhao, Yuejin

2017-02-01

In this paper, we develop an angles-centroids fitting (ACF) system and the centroid algorithm to calibrate the reverse Hartmann test (RHT) with sufficient precision. The essence of ACF calibration is to establish the relationship between ray angles and detector coordinates. Centroids computation is used to find correspondences between the rays of datum marks and detector pixels. Here, the point spread function of RHT is classified as circle of confusion (CoC), and the fitting of a CoC spot with 2D Gaussian profile to identify the centroid forms the basis of the centroid algorithm. Theoretical and experimental results of centroids computation demonstrate that the Gaussian fitting method has a less centroid shift or the shift grows at a slower pace when the quality of the image is reduced. In ACF tests, the optical instrumental alignments reach an overall accuracy of 0.1 pixel with the application of laser spot centroids tracking program. Locating the crystal at different positions, the feasibility and accuracy of ACF calibration are further validated to 10-6-10-4 rad root-mean-square error of the calibrations differences.

Neural and Decision Theoretic Approaches for the Automated Segmentation of Radiodense Tissue in Digitized Mammograms

NASA Astrophysics Data System (ADS)

Eckert, R.; Neyhart, J. T.; Burd, L.; Polikar, R.; Mandayam, S. A.; Tseng, M.

2003-03-01

Mammography is the best method available as a non-invasive technique for the early detection of breast cancer. The radiographic appearance of the female breast consists of radiolucent (dark) regions due to fat and radiodense (light) regions due to connective and epithelial tissue. The amount of radiodense tissue can be used as a marker for predicting breast cancer risk. Previously, we have shown that the use of statistical models is a reliable technique for segmenting radiodense tissue. This paper presents improvements in the model that allow for further development of an automated system for segmentation of radiodense tissue. The segmentation algorithm employs a two-step process. In the first step, segmentation of tissue and non-tissue regions of a digitized X-ray mammogram image are identified using a radial basis function neural network. The second step uses a constrained Neyman-Pearson algorithm, developed especially for this research work, to determine the amount of radiodense tissue. Results obtained using the algorithm have been validated by comparing with estimates provided by a radiologist employing previously established methods.

A Comparison of Techniques To Find Mirrored Hosts on the WWW.

ERIC Educational Resources Information Center

Bharat, Krishna; Broder, Andrei; Dean, Jefferey; Henzinger, Monika R.

2000-01-01

Compares several "top-down" algorithms for identifying mirrored hosts on the Web. The algorithms operate on the basis of URL strings and linkage data: the type of information about Web pages easily available from Web proxies and crawlers. Results reveal that the best approach is a combination of five algorithms: on test data this…

The Behavioral and Neural Mechanisms Underlying the Tracking of Expertise

PubMed Central

Boorman, Erie D.; O’Doherty, John P.; Adolphs, Ralph; Rangel, Antonio

2013-01-01

Summary Evaluating the abilities of others is fundamental for successful economic and social behavior. We investigated the computational and neurobiological basis of ability tracking by designing an fMRI task that required participants to use and update estimates of both people and algorithms’ expertise through observation of their predictions. Behaviorally, we find a model-based algorithm characterized subject predictions better than several alternative models. Notably, when the agent’s prediction was concordant rather than discordant with the subject’s own likely prediction, participants credited people more than algorithms for correct predictions and penalized them less for incorrect predictions. Neurally, many components of the mentalizing network—medial prefrontal cortex, anterior cingulate gyrus, temporoparietal junction, and precuneus—represented or updated expertise beliefs about both people and algorithms. Moreover, activity in lateral orbitofrontal and medial prefrontal cortex reflected behavioral differences in learning about people and algorithms. These findings provide basic insights into the neural basis of social learning. PMID:24360551

Scheduling nursing personnel on a microcomputer.

PubMed

Liao, C J; Kao, C Y

1997-01-01

Suggests that with the shortage of nursing personnel, hospital administrators have to pay more attention to the needs of nurses to retain and recruit them. Also asserts that improving nurses' schedules is one of the most economic ways for the hospital administration to create a better working environment for nurses. Develops an algorithm for scheduling nursing personnel. Contrary to the current hospital approach, which schedules nurses on a person-by-person basis, the proposed algorithm constructs schedules on a day-by-day basis. The algorithm has inherent flexibility in handling a variety of possible constraints and goals, similar to other non-cyclical approaches. But, unlike most other non-cyclical approaches, it can also generate a quality schedule in a short time on a microcomputer. The algorithm was coded in C language and run on a microcomputer. The developed software is currently implemented at a leading hospital in Taiwan. The response to the initial implementation is quite promising.

Strategies for concurrent processing of complex algorithms in data driven architectures

NASA Technical Reports Server (NTRS)

Stoughton, John W.; Mielke, Roland R.

1987-01-01

The results of ongoing research directed at developing a graph theoretical model for describing data and control flow associated with the execution of large grained algorithms in a spatial distributed computer environment is presented. This model is identified by the acronym ATAMM (Algorithm/Architecture Mapping Model). The purpose of such a model is to provide a basis for establishing rules for relating an algorithm to its execution in a multiprocessor environment. Specifications derived from the model lead directly to the description of a data flow architecture which is a consequence of the inherent behavior of the data and control flow described by the model. The purpose of the ATAMM based architecture is to optimize computational concurrency in the multiprocessor environment and to provide an analytical basis for performance evaluation. The ATAMM model and architecture specifications are demonstrated on a prototype system for concept validation.

An Artificial Neural Network-Based Algorithm for Evaluation of Fatigue Crack Propagation Considering Nonlinear Damage Accumulation

PubMed Central

Zhang, Wei; Bao, Zhangmin; Jiang, Shan; He, Jingjing

2016-01-01

In the aerospace and aviation sectors, the damage tolerance concept has been applied widely so that the modeling analysis of fatigue crack growth has become more and more significant. Since the process of crack propagation is highly nonlinear and determined by many factors, such as applied stress, plastic zone in the crack tip, length of the crack, etc., it is difficult to build up a general and flexible explicit function to accurately quantify this complicated relationship. Fortunately, the artificial neural network (ANN) is considered a powerful tool for establishing the nonlinear multivariate projection which shows potential in handling the fatigue crack problem. In this paper, a novel fatigue crack calculation algorithm based on a radial basis function (RBF)-ANN is proposed to study this relationship from the experimental data. In addition, a parameter called the equivalent stress intensity factor is also employed as training data to account for loading interaction effects. The testing data is then placed under constant amplitude loading with different stress ratios or overloads used for model validation. Moreover, the Forman and Wheeler equations are also adopted to compare with our proposed algorithm. The current investigation shows that the ANN-based approach can deliver a better agreement with the experimental data than the other two models, which supports that the RBF-ANN has nontrivial advantages in handling the fatigue crack growth problem. Furthermore, it implies that the proposed algorithm is possibly a sophisticated and promising method to compute fatigue crack growth in terms of loading interaction effects. PMID:28773606

An Artificial Neural Network-Based Algorithm for Evaluation of Fatigue Crack Propagation Considering Nonlinear Damage Accumulation.

PubMed

Zhang, Wei; Bao, Zhangmin; Jiang, Shan; He, Jingjing

2016-06-17

In the aerospace and aviation sectors, the damage tolerance concept has been applied widely so that the modeling analysis of fatigue crack growth has become more and more significant. Since the process of crack propagation is highly nonlinear and determined by many factors, such as applied stress, plastic zone in the crack tip, length of the crack, etc. , it is difficult to build up a general and flexible explicit function to accurately quantify this complicated relationship. Fortunately, the artificial neural network (ANN) is considered a powerful tool for establishing the nonlinear multivariate projection which shows potential in handling the fatigue crack problem. In this paper, a novel fatigue crack calculation algorithm based on a radial basis function (RBF)-ANN is proposed to study this relationship from the experimental data. In addition, a parameter called the equivalent stress intensity factor is also employed as training data to account for loading interaction effects. The testing data is then placed under constant amplitude loading with different stress ratios or overloads used for model validation. Moreover, the Forman and Wheeler equations are also adopted to compare with our proposed algorithm. The current investigation shows that the ANN-based approach can deliver a better agreement with the experimental data than the other two models, which supports that the RBF-ANN has nontrivial advantages in handling the fatigue crack growth problem. Furthermore, it implies that the proposed algorithm is possibly a sophisticated and promising method to compute fatigue crack growth in terms of loading interaction effects.

An intelligent algorithm for optimizing emergency department job and patient satisfaction.

PubMed

Azadeh, Ali; Yazdanparast, Reza; Abdolhossein Zadeh, Saeed; Keramati, Abbas

2018-06-11

Purpose Resilience engineering, job satisfaction and patient satisfaction were evaluated and analyzed in one Tehran emergency department (ED) to determine ED strengths, weaknesses and opportunities to improve safety, performance, staff and patient satisfaction. The paper aims to discuss these issues. Design/methodology/approach The algorithm included data envelopment analysis (DEA), two artificial neural networks: multilayer perceptron and radial basis function. Data were based on integrated resilience engineering (IRE) and satisfaction indicators. IRE indicators are considered inputs and job and patient satisfaction indicators are considered output variables. Methods were based on mean absolute percentage error analysis. Subsequently, the algorithm was employed for measuring staff and patient satisfaction separately. Each indicator is also identified through sensitivity analysis. Findings The results showed that salary, wage, patient admission and discharge are the crucial factors influencing job and patient satisfaction. The results obtained by the algorithm were validated by comparing them with DEA. Practical implications The approach is a decision-making tool that helps health managers to assess and improve performance and take corrective action. Originality/value This study presents an IRE and intelligent algorithm for analyzing ED job and patient satisfaction - the first study to present an integrated IRE, neural network and mathematical programming approach for optimizing job and patient satisfaction, which simultaneously optimizes job and patient satisfaction, and IRE. The results are validated by DEA through statistical methods.

PRESS-based EFOR algorithm for the dynamic parametrical modeling of nonlinear MDOF systems

NASA Astrophysics Data System (ADS)

Liu, Haopeng; Zhu, Yunpeng; Luo, Zhong; Han, Qingkai

2017-09-01

In response to the identification problem concerning multi-degree of freedom (MDOF) nonlinear systems, this study presents the extended forward orthogonal regression (EFOR) based on predicted residual sums of squares (PRESS) to construct a nonlinear dynamic parametrical model. The proposed parametrical model is based on the non-linear autoregressive with exogenous inputs (NARX) model and aims to explicitly reveal the physical design parameters of the system. The PRESS-based EFOR algorithm is proposed to identify such a model for MDOF systems. By using the algorithm, we built a common-structured model based on the fundamental concept of evaluating its generalization capability through cross-validation. The resulting model aims to prevent over-fitting with poor generalization performance caused by the average error reduction ratio (AERR)-based EFOR algorithm. Then, a functional relationship is established between the coefficients of the terms and the design parameters of the unified model. Moreover, a 5-DOF nonlinear system is taken as a case to illustrate the modeling of the proposed algorithm. Finally, a dynamic parametrical model of a cantilever beam is constructed from experimental data. Results indicate that the dynamic parametrical model of nonlinear systems, which depends on the PRESS-based EFOR, can accurately predict the output response, thus providing a theoretical basis for the optimal design of modeling methods for MDOF nonlinear systems.

A hybrid personalized data recommendation approach for geoscience data sharing

NASA Astrophysics Data System (ADS)

WANG, M.; Wang, J.

2016-12-01

Recommender systems are effective tools helping Internet users overcome information overloading. The two most widely used recommendation algorithms are collaborating filtering (CF) and content-based filtering (CBF). A number of recommender systems based on those two algorithms were developed for multimedia, online sells, and other domains. Each of the two algorithms has its advantages and shortcomings. Hybrid approaches that combine these two algorithms are better choices in many cases. In geoscience data sharing domain, where the items (datasets) are more informative (in space and time) and domain-specific, no recommender system is specialized for data users. This paper reports a dynamic weighted hybrid recommendation algorithm that combines CF and CBF for geoscience data sharing portal. We first derive users' ratings on items with their historical visiting time by Jenks Natural Break. In the CBF part, we incorporate the space, time, and subject information of geoscience datasets to compute item similarity. Predicted ratings were computed with k-NN method separately using CBF and CF, and then combined with weights. With training dataset we attempted to find the best model describing ideal weights and users' co-rating numbers. A logarithmic function was confirmed to be the best model. The model was then used to tune the weights of CF and CBF on user-item basis with test dataset. Evaluation results show that the dynamic weighted approach outperforms either solo CF or CBF approach in terms of Precision and Recall.

Research on laser marking speed optimization by using genetic algorithm.

PubMed

Wang, Dongyun; Yu, Qiwei; Zhang, Yu

2015-01-01

Laser Marking Machine is the most common coding equipment on product packaging lines. However, the speed of laser marking has become a bottleneck of production. In order to remove this bottleneck, a new method based on a genetic algorithm is designed. On the basis of this algorithm, a controller was designed and simulations and experiments were performed. The results show that using this algorithm could effectively improve laser marking efficiency by 25%.

Wheat forecast economics effect study. [value of improved information on crop inventories, production, imports and exports

NASA Technical Reports Server (NTRS)

Mehra, R. K.; Rouhani, R.; Jones, S.; Schick, I.

1980-01-01

A model to assess the value of improved information regarding the inventories, productions, exports, and imports of crop on a worldwide basis is discussed. A previously proposed model is interpreted in a stochastic control setting and the underlying assumptions of the model are revealed. In solving the stochastic optimization problem, the Markov programming approach is much more powerful and exact as compared to the dynamic programming-simulation approach of the original model. The convergence of a dual variable Markov programming algorithm is shown to be fast and efficient. A computer program for the general model of multicountry-multiperiod is developed. As an example, the case of one country-two periods is treated and the results are presented in detail. A comparison with the original model results reveals certain interesting aspects of the algorithms and the dependence of the value of information on the incremental cost function.

Inference of Gene Regulatory Networks Using Bayesian Nonparametric Regression and Topology Information.

PubMed

Fan, Yue; Wang, Xiao; Peng, Qinke

2017-01-01

Gene regulatory networks (GRNs) play an important role in cellular systems and are important for understanding biological processes. Many algorithms have been developed to infer the GRNs. However, most algorithms only pay attention to the gene expression data but do not consider the topology information in their inference process, while incorporating this information can partially compensate for the lack of reliable expression data. Here we develop a Bayesian group lasso with spike and slab priors to perform gene selection and estimation for nonparametric models. B-spline basis functions are used to capture the nonlinear relationships flexibly and penalties are used to avoid overfitting. Further, we incorporate the topology information into the Bayesian method as a prior. We present the application of our method on DREAM3 and DREAM4 datasets and two real biological datasets. The results show that our method performs better than existing methods and the topology information prior can improve the result.

Customer demand prediction of service-oriented manufacturing using the least square support vector machine optimized by particle swarm optimization algorithm

NASA Astrophysics Data System (ADS)

Cao, Jin; Jiang, Zhibin; Wang, Kangzhou

2017-07-01

Many nonlinear customer satisfaction-related factors significantly influence the future customer demand for service-oriented manufacturing (SOM). To address this issue and enhance the prediction accuracy, this article develops a novel customer demand prediction approach for SOM. The approach combines the phase space reconstruction (PSR) technique with the optimized least square support vector machine (LSSVM). First, the prediction sample space is reconstructed by the PSR to enrich the time-series dynamics of the limited data sample. Then, the generalization and learning ability of the LSSVM are improved by the hybrid polynomial and radial basis function kernel. Finally, the key parameters of the LSSVM are optimized by the particle swarm optimization algorithm. In a real case study, the customer demand prediction of an air conditioner compressor is implemented. Furthermore, the effectiveness and validity of the proposed approach are demonstrated by comparison with other classical predication approaches.

Geographical traceability of Marsdenia tenacissima by Fourier transform infrared spectroscopy and chemometrics

NASA Astrophysics Data System (ADS)

Li, Chao; Yang, Sheng-Chao; Guo, Qiao-Sheng; Zheng, Kai-Yan; Wang, Ping-Li; Meng, Zhen-Gui

2016-01-01

A combination of Fourier transform infrared spectroscopy with chemometrics tools provided an approach for studying Marsdenia tenacissima according to its geographical origin. A total of 128 M. tenacissima samples from four provinces in China were analyzed with FTIR spectroscopy. Six pattern recognition methods were used to construct the discrimination models: support vector machine-genetic algorithms, support vector machine-particle swarm optimization, K-nearest neighbors, radial basis function neural network, random forest and support vector machine-grid search. Experimental results showed that K-nearest neighbors was superior to other mathematical algorithms after data were preprocessed with wavelet de-noising, with a discrimination rate of 100% in both the training and prediction sets. This study demonstrated that FTIR spectroscopy coupled with K-nearest neighbors could be successfully applied to determine the geographical origins of M. tenacissima samples, thereby providing reliable authentication in a rapid, cheap and noninvasive way.

Basis for a neuronal version of Grover's quantum algorithm

PubMed Central

Clark, Kevin B.

2014-01-01

Grover's quantum (search) algorithm exploits principles of quantum information theory and computation to surpass the strong Church–Turing limit governing classical computers. The algorithm initializes a search field into superposed N (eigen)states to later execute nonclassical “subroutines” involving unitary phase shifts of measured states and to produce root-rate or quadratic gain in the algorithmic time (O(N1/2)) needed to find some “target” solution m. Akin to this fast technological search algorithm, single eukaryotic cells, such as differentiated neurons, perform natural quadratic speed-up in the search for appropriate store-operated Ca2+ response regulation of, among other processes, protein and lipid biosynthesis, cell energetics, stress responses, cell fate and death, synaptic plasticity, and immunoprotection. Such speed-up in cellular decision making results from spatiotemporal dynamics of networked intracellular Ca2+-induced Ca2+ release and the search (or signaling) velocity of Ca2+ wave propagation. As chemical processes, such as the duration of Ca2+ mobilization, become rate-limiting over interstore distances, Ca2+ waves quadratically decrease interstore-travel time from slow saltatory to fast continuous gradients proportional to the square-root of the classical Ca2+ diffusion coefficient, D1/2, matching the computing efficiency of Grover's quantum algorithm. In this Hypothesis and Theory article, I elaborate on these traits using a fire-diffuse-fire model of store-operated cytosolic Ca2+ signaling valid for glutamatergic neurons. Salient model features corresponding to Grover's quantum algorithm are parameterized to meet requirements for the Oracle Hadamard transform and Grover's iteration. A neuronal version of Grover's quantum algorithm figures to benefit signal coincidence detection and integration, bidirectional synaptic plasticity, and other vital cell functions by rapidly selecting, ordering, and/or counting optional response regulation choices. PMID:24860419

Periodic boundary conditions for QM/MM calculations: Ewald summation for extended Gaussian basis sets

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

Holden, Zachary C.; Richard, Ryan M.; Herbert, John M., E-mail: herbert@chemistry.ohio-state.edu

2013-12-28

An implementation of Ewald summation for use in mixed quantum mechanics/molecular mechanics (QM/MM) calculations is presented, which builds upon previous work by others that was limited to semi-empirical electronic structure for the QM region. Unlike previous work, our implementation describes the wave function's periodic images using “ChElPG” atomic charges, which are determined by fitting to the QM electrostatic potential evaluated on a real-space grid. This implementation is stable even for large Gaussian basis sets with diffuse exponents, and is thus appropriate when the QM region is described by a correlated wave function. Derivatives of the ChElPG charges with respect tomore » the QM density matrix are a potentially serious bottleneck in this approach, so we introduce a ChElPG algorithm based on atom-centered Lebedev grids. The ChElPG charges thus obtained exhibit good rotational invariance even for sparse grids, enabling significant cost savings. Detailed analysis of the optimal choice of user-selected Ewald parameters, as well as timing breakdowns, is presented.« less

Framework for adaptive multiscale analysis of nonhomogeneous point processes.

PubMed

Helgason, Hannes; Bartroff, Jay; Abry, Patrice

2011-01-01

We develop the methodology for hypothesis testing and model selection in nonhomogeneous Poisson processes, with an eye toward the application of modeling and variability detection in heart beat data. Modeling the process' non-constant rate function using templates of simple basis functions, we develop the generalized likelihood ratio statistic for a given template and a multiple testing scheme to model-select from a family of templates. A dynamic programming algorithm inspired by network flows is used to compute the maximum likelihood template in a multiscale manner. In a numerical example, the proposed procedure is nearly as powerful as the super-optimal procedures that know the true template size and true partition, respectively. Extensions to general history-dependent point processes is discussed.

[Adrenal incidentaloma: a clinical problem related to imaging].

PubMed

de Bruijne, E L E; Burgmans, J P J; Krestin, G P; Pols, H A P; van den Meiracker, A H; de Herder, W W

2005-08-13

Two female patients, 68 and 67 years of age, were referred for right abdominal pain and pyelonephritis, respectively. During the diagnostic work-up, an unsuspected adrenal mass was found in both patients. Hormonal evaluation and imaging showed a benign non-hyperactive functioning adenoma in one patient and a pheochromocytoma in the other. Both patients were successfully treated with endoscopic adrenalectomy. Wider application and improvement of abdominal imaging procedures have caused an increase of incidentally detected adrenal masses, posing a common clinical problem. Typically, a diagnosis can be made on the basis of the characteristic radiological image. The exact nature of the defect is often unclear and further evaluation is required to determine functionality and possible malignancy. An algorithm is presented for the management of adrenal incidentalomas.

Radionuclide calorimeter system

DOEpatents

Donohoue, Thomas P.; Oertel, Christopher P.; Tyree, William H.; Valdez, Joe L.

1991-11-26

A circuit for measuring temperature differentials in a calorimeter is disclosed. The temperature differential between the reference element and sample element containing a radioactive material is measured via a wheatstone bridge arrangement of thermistors. The bridge is driven with an alternating current on a pulsed basis to maintain the thermal floor of the calorimeter at a low reference value. A lock-in amplifier connected to the bridge phase locks a signal from the bridge to the input pulsed AC signal to provide a DC voltage. The DC voltage is sampled over time and provided to a digital computer. The digital computer, using curve fitting algorithms, will derive a function for the sample data. From the function, an equilibrium value for the temperature may be calculated.

Radionuclide calorimeter system

DOEpatents

Donohoue, T.P.; Oertel, C.P.; Tyree, W.H.; Valdez, J.L.

1991-11-26

A circuit for measuring temperature differentials in a calorimeter is disclosed. The temperature differential between the reference element and sample element containing a radioactive material is measured via a Wheatstone bridge arrangement of thermistors. The bridge is driven with an alternating current on a pulsed basis to maintain the thermal floor of the calorimeter at a low reference value. A lock-in amplifier connected to the bridge phase locks a signal from the bridge to the input pulsed AC signal to provide a DC voltage. The DC voltage is sampled over time and provided to a digital computer. The digital computer, using curve fitting algorithms, will derive a function for the sample data. From the function, an equilibrium value for the temperature may be calculated. 7 figures.

Using radial NMR profiles to characterize pore size distributions

NASA Astrophysics Data System (ADS)

Deriche, Rachid; Treilhard, John

2012-02-01

Extracting information about axon diameter distributions in the brain is a challenging task which provides useful information for medical purposes; for example, the ability to characterize and monitor axon diameters would be useful in diagnosing and investigating diseases like amyotrophic lateral sclerosis (ALS)1 or autism.2 Three families of operators are defined by Ozarslan,3 whose action upon an NMR attenuation signal extracts the moments of the pore size distribution of the ensemble under consideration; also a numerical method is proposed to continuously reconstruct a discretely sampled attenuation profile using the eigenfunctions of the simple harmonic oscillator Hamiltonian: the SHORE basis. The work presented here extends Ozarlan's method to other bases that can offer a better description of attenuation signal behaviour; in particular, we propose the use of the radial Spherical Polar Fourier (SPF) basis. Testing is performed to contrast the efficacy of the radial SPF basis and SHORE basis in practical attenuation signal reconstruction. The robustness of the method to additive noise is tested and analysed. We demonstrate that a low-order attenuation signal reconstruction outperforms a higher-order reconstruction in subsequent moment estimation under noisy conditions. We propose the simulated annealing algorithm for basis function scale parameter estimation. Finally, analytic expressions are derived and presented for the action of the operators on the radial SPF basis (obviating the need for numerical integration, thus avoiding a spectrum of possible sources of error).

EpHLA: an innovative and user-friendly software automating the HLAMatchmaker algorithm for antibody analysis.

PubMed

Sousa, Luiz Cláudio Demes da Mata; Filho, Herton Luiz Alves Sales; Von Glehn, Cristina de Queiroz Carrascosa; da Silva, Adalberto Socorro; Neto, Pedro de Alcântara dos Santos; de Castro, José Adail Fonseca; do Monte, Semíramis Jamil Hadad

2011-12-01

The global challenge for solid organ transplantation programs is to distribute organs to the highly sensitized recipients. The purpose of this work is to describe and test the functionality of the EpHLA software, a program that automates the analysis of acceptable and unacceptable HLA epitopes on the basis of the HLAMatchmaker algorithm. HLAMatchmaker considers small configurations of polymorphic residues referred to as eplets as essential components of HLA-epitopes. Currently, the analyses require the creation of temporary files and the manual cut and paste of laboratory tests results between electronic spreadsheets, which is time-consuming and prone to administrative errors. The EpHLA software was developed in Object Pascal programming language and uses the HLAMatchmaker algorithm to generate histocompatibility reports. The automated generation of reports requires the integration of files containing the results of laboratory tests (HLA typing, anti-HLA antibody signature) and public data banks (NMDP, IMGT). The integration and the access to this data were accomplished by means of the framework called eDAFramework. The eDAFramework was developed in Object Pascal and PHP and it provides data access functionalities for software developed in these languages. The tool functionality was successfully tested in comparison to actual, manually derived reports of patients from a renal transplantation program with related donors. We successfully developed software, which enables the automated definition of the epitope specificities of HLA antibodies. This new tool will benefit the management of recipient/donor pairs selection for highly sensitized patients. Copyright © 2011 Elsevier B.V. All rights reserved.

[A new information technology for system diagnosis of functional activity of human organs].

PubMed

Avshalumov, A Sh; Sudakov, K V; Filaretov, G F

2006-01-01

The goal of this work was to consider a new diagnostic technology based on analysis of objective information parameters of functional activity and interaction of normal and pathologically changed human organs. The technology is based on the use of very low power millimeter (EHF) radiation emitted by human body and other biological objects in the process of vital activity. The importance of consideration of the information aspect of vital activity from the standpoint of the theory of functional systems suggested by P. K. Anokhin is emphasized. The suggested information technology is theoretically substantiated. The capabilities of the suggested technology for diagnosis, as well as the difficulties of its practical implementation caused by very low power of electromagnetic fields generated by human body, are discussed. It is noted that only use of modern radiophysical equipment together with new software based on specially developed algorithms made it possible to construct a medical EHF diagnostic system for effective implementation of the suggested technology. The system structure, functions of its components, the examination procedure, and the form of representation of diagnostic information are described together with the specific features of applied software based on the principle of maximal objectivity of analysis and interpretation of the results of diagnosis on the basis of artificial intelligence algorithms. The diagnostic capabilities of the system are illustrated by several examples.

A bayesian hierarchical model for classification with selection of functional predictors.

PubMed

Zhu, Hongxiao; Vannucci, Marina; Cox, Dennis D

2010-06-01

In functional data classification, functional observations are often contaminated by various systematic effects, such as random batch effects caused by device artifacts, or fixed effects caused by sample-related factors. These effects may lead to classification bias and thus should not be neglected. Another issue of concern is the selection of functions when predictors consist of multiple functions, some of which may be redundant. The above issues arise in a real data application where we use fluorescence spectroscopy to detect cervical precancer. In this article, we propose a Bayesian hierarchical model that takes into account random batch effects and selects effective functions among multiple functional predictors. Fixed effects or predictors in nonfunctional form are also included in the model. The dimension of the functional data is reduced through orthonormal basis expansion or functional principal components. For posterior sampling, we use a hybrid Metropolis-Hastings/Gibbs sampler, which suffers slow mixing. An evolutionary Monte Carlo algorithm is applied to improve the mixing. Simulation and real data application show that the proposed model provides accurate selection of functional predictors as well as good classification.

Prediction of pKa Values for Neutral and Basic Drugs based on Hybrid Artificial Intelligence Methods.

PubMed

Li, Mengshan; Zhang, Huaijing; Chen, Bingsheng; Wu, Yan; Guan, Lixin

2018-03-05

The pKa value of drugs is an important parameter in drug design and pharmacology. In this paper, an improved particle swarm optimization (PSO) algorithm was proposed based on the population entropy diversity. In the improved algorithm, when the population entropy was higher than the set maximum threshold, the convergence strategy was adopted; when the population entropy was lower than the set minimum threshold the divergence strategy was adopted; when the population entropy was between the maximum and minimum threshold, the self-adaptive adjustment strategy was maintained. The improved PSO algorithm was applied in the training of radial basis function artificial neural network (RBF ANN) model and the selection of molecular descriptors. A quantitative structure-activity relationship model based on RBF ANN trained by the improved PSO algorithm was proposed to predict the pKa values of 74 kinds of neutral and basic drugs and then validated by another database containing 20 molecules. The validation results showed that the model had a good prediction performance. The absolute average relative error, root mean square error, and squared correlation coefficient were 0.3105, 0.0411, and 0.9685, respectively. The model can be used as a reference for exploring other quantitative structure-activity relationships.

New algorithms for microwave measurements of ocean winds

NASA Technical Reports Server (NTRS)

Wentz, F. J.; Peteherych, S.

1984-01-01

Improved second generation wind algorithms are used to process the three month SEASAT SMMR and SASS data sets. The new algorithms are derived without using in situ anemometer measurements. All known biases in the sensors prime measurements are removed, and the algorithms prime model functions are internally self-consistent. The computed SMMR and SASS winds are collocated and compared on a 150 km cell-by-cell basis, giving a total of 115444 wind comparisons. The comparisons are done using three different sets of SMMR channels. When the 6.6H SMMR channel is used for wind retrieval, the SMMR and SASS winds agree to within 1.3 m/s over the SASS primary swath. At nadir where the radar cross section is less sensitive to wind, the agreement degrades to 1.9 m/s. The agreement is very good for winds from 0 to 15 m/s. Above 15 m/s, the off-nadir SASS winds are consistently lower than the SMMR winds, while at nadir the high SASS winds are greater than SMMR's. When 10.7H is used for the SMMR wind channel, the SMMR/SASS wind comparisons are not quite as good. When the frequency of the wind channel is increased to 18 GHz, the SMMR/SASS agreement substantially degrades to about 5 m/s.

A detail enhancement and dynamic range adjustment algorithm for high dynamic range images

NASA Astrophysics Data System (ADS)

Xu, Bo; Wang, Huachuang; Liang, Mingtao; Yu, Cong; Hu, Jinlong; Cheng, Hua

2014-08-01

Although high dynamic range (HDR) images contain large amounts of information, they have weak texture and low contrast. What's more, these images are difficult to be reproduced on low dynamic range displaying mediums. If much more information is to be acquired when these images are displayed on PCs, some specific transforms, such as compressing the dynamic range, enhancing the portions of little difference in original contrast and highlighting the texture details on the premise of keeping the parts of large contrast, are needed. To this ends, a multi-scale guided filter enhancement algorithm which derives from the single-scale guided filter based on the analysis of non-physical model is proposed in this paper. Firstly, this algorithm decomposes the original HDR images into base image and detail images of different scales, and then it adaptively selects a transform function which acts on the enhanced detail images and original images. By comparing the treatment effects of HDR images and low dynamic range (LDR) images of different scene features, it proves that this algorithm, on the basis of maintaining the hierarchy and texture details of images, not only improves the contrast and enhances the details of images, but also adjusts the dynamic range well. Thus, it is much suitable for human observation or analytical processing of machines.

Tracking Objects with Networked Scattered Directional Sensors

NASA Astrophysics Data System (ADS)

Plarre, Kurt; Kumar, P. R.

2007-12-01

We study the problem of object tracking using highly directional sensors—sensors whose field of vision is a line or a line segment. A network of such sensors monitors a certain region of the plane. Sporadically, objects moving in straight lines and at a constant speed cross the region. A sensor detects an object when it crosses its line of sight, and records the time of the detection. No distance or angle measurements are available. The task of the sensors is to estimate the directions and speeds of the objects, and the sensor lines, which are unknown a priori. This estimation problem involves the minimization of a highly nonconvex cost function. To overcome this difficulty, we introduce an algorithm, which we call "adaptive basis algorithm." This algorithm is divided into three phases: in the first phase, the algorithm is initialized using data from six sensors and four objects; in the second phase, the estimates are updated as data from more sensors and objects are incorporated. The third phase is an optional coordinated transformation. The estimation is done in an "ad-hoc" coordinate system, which we call "adaptive coordinate system." When more information is available, for example, the location of six sensors, the estimates can be transformed to the "real-world" coordinate system. This constitutes the third phase.

Broadband Tomography System: Direct Time-Space Reconstruction Algorithm

NASA Astrophysics Data System (ADS)

Biagi, E.; Capineri, Lorenzo; Castellini, Guido; Masotti, Leonardo F.; Rocchi, Santina

1989-10-01

In this paper a new ultrasound tomographic image algorithm is presented. A complete laboratory system is built up to test the algorithm in experimental conditions. The proposed system is based on a physical model consisting of a bidimensional distribution of single scattering elements. Multiple scattering is neglected, so Born approximation is assumed. This tomographic technique only requires two orthogonal scanning sections. For each rotational position of the object, data are collected by means of the complete data set method in transmission mode. After a numeric envelope detection, the received signals are back-projected in the space-domain through a scalar function. The reconstruction of each scattering element is accomplished by correlating the ultrasound time of flight and attenuation with the points' loci given by the possible positions of the scattering element. The points' locus is represented by an ellipse with the focuses located on the transmitter and receiver positions. In the image matrix the ellipses' contributions are coherently summed in the position of the scattering element. Computer simulations of cylindrical-shaped objects have pointed out the performances of the reconstruction algorithm. Preliminary experimental results show the laboratory system features. On the basis of these results an experimental procedure to test the confidence and repeatability of ultrasonic measurements on human carotid vessel is proposed.

Using a genetic algorithm to optimize a water-monitoring network for accuracy and cost effectiveness

NASA Astrophysics Data System (ADS)

Julich, R. J.

2004-05-01

The purpose of this project is to determine the optimal spatial distribution of water-monitoring wells to maximize important data collection and to minimize the cost of managing the network. We have employed a genetic algorithm (GA) towards this goal. The GA uses a simple fitness measure with two parts: the first part awards a maximal score to those combinations of hydraulic head observations whose net uncertainty is closest to the value representing all observations present, thereby maximizing accuracy; the second part applies a penalty function to minimize the number of observations, thereby minimizing the overall cost of the monitoring network. We used the linear statistical inference equation to calculate standard deviations on predictions from a numerical model generated for the 501-observation Death Valley Regional Flow System as the basis for our uncertainty calculations. We have organized the results to address the following three questions: 1) what is the optimal design strategy for a genetic algorithm to optimize this problem domain; 2) what is the consistency of solutions over several optimization runs; and 3) how do these results compare to what is known about the conceptual hydrogeology? Our results indicate the genetic algorithms are a more efficient and robust method for solving this class of optimization problems than have been traditional optimization approaches.

Exact and approximate Fourier rebinning algorithms for the solution of the data truncation problem in 3-D PET.

PubMed

Bouallègue, Fayçal Ben; Crouzet, Jean-François; Comtat, Claude; Fourcade, Marjolaine; Mohammadi, Bijan; Mariano-Goulart, Denis

2007-07-01

This paper presents an extended 3-D exact rebinning formula in the Fourier space that leads to an iterative reprojection algorithm (iterative FOREPROJ), which enables the estimation of unmeasured oblique projection data on the basis of the whole set of measured data. In first approximation, this analytical formula also leads to an extended Fourier rebinning equation that is the basis for an approximate reprojection algorithm (extended FORE). These algorithms were evaluated on numerically simulated 3-D positron emission tomography (PET) data for the solution of the truncation problem, i.e., the estimation of the missing portions in the oblique projection data, before the application of algorithms that require complete projection data such as some rebinning methods (FOREX) or 3-D reconstruction algorithms (3DRP or direct Fourier methods). By taking advantage of all the 3-D data statistics, the iterative FOREPROJ reprojection provides a reliable alternative to the classical FOREPROJ method, which only exploits the low-statistics nonoblique data. It significantly improves the quality of the external reconstructed slices without loss of spatial resolution. As for the approximate extended FORE algorithm, it clearly exhibits limitations due to axial interpolations, but will require clinical studies with more realistic measured data in order to decide on its pertinence.

76 FR 59470 - Self-Regulatory Organizations; C2 Options Exchange, Incorporated; Notice of Filing and Immediate...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-09-26

... allocation algorithm shall apply for COB and/or COA executions on a class-by-class basis, subject to certain conditions. Currently, as described in more detail below, the allocation algorithms for COB and COA default to the allocation algorithms in effect for a given options class. As proposed, the rule change would...

Function approximation and documentation of sampling data using artificial neural networks.

PubMed

Zhang, Wenjun; Barrion, Albert

2006-11-01

Biodiversity studies in ecology often begin with the fitting and documentation of sampling data. This study is conducted to make function approximation on sampling data and to document the sampling information using artificial neural network algorithms, based on the invertebrate data sampled in the irrigated rice field. Three types of sampling data, i.e., the curve species richness vs. the sample size, the curve rarefaction, and the curve mean abundance of newly sampled species vs.the sample size, are fitted and documented using BP (Backpropagation) network and RBF (Radial Basis Function) network. As the comparisons, The Arrhenius model, and rarefaction model, and power function are tested for their ability to fit these data. The results show that the BP network and RBF network fit the data better than these models with smaller errors. BP network and RBF network can fit non-linear functions (sampling data) with specified accuracy and don't require mathematical assumptions. In addition to the interpolation, BP network is used to extrapolate the functions and the asymptote of the sampling data can be drawn. BP network cost a longer time to train the network and the results are always less stable compared to the RBF network. RBF network require more neurons to fit functions and generally it may not be used to extrapolate the functions. The mathematical function for sampling data can be exactly fitted using artificial neural network algorithms by adjusting the desired accuracy and maximum iterations. The total numbers of functional species of invertebrates in the tropical irrigated rice field are extrapolated as 140 to 149 using trained BP network, which are similar to the observed richness.

Operator bases, S-matrices, and their partition functions

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

Henning, Brian; Lu, Xiaochuan; Melia, Tom

Relativistic quantum systems that admit scattering experiments are quantitatively described by effective field theories, where S-matrix kinematics and symmetry considerations are encoded in the operator spectrum of the EFT. Here in this paper we use the S-matrix to derive the structure of the EFT operator basis, providing complementary descriptions in (i) position space utilizing the conformal algebra and cohomology and (ii) momentum space via an algebraic formulation in terms of a ring of momenta with kinematics implemented as an ideal. These frameworks systematically handle redundancies associated with equations of motion (on-shell) and integration by parts (momentum conservation). We introduce amore » partition function, termed the Hilbert series, to enumerate the operator basis — correspondingly, the S-matrix — and derive a matrix integral expression to compute the Hilbert series. The expression is general, easily applied in any spacetime dimension, with arbitrary field content and (linearly realized) symmetries. In addition to counting, we discuss construction of the basis. Simple algorithms follow from the algebraic formulation in momentum space. We explicitly compute the basis for operators involving up to n = 5 scalar fields. This construction universally applies to fields with spin, since the operator basis for scalars encodes the momentum dependence of n-point amplitudes. We discuss in detail the operator basis for non-linearly realized symmetries. In the presence of massless particles, there is freedom to impose additional structure on the S- matrix in the form of soft limits. The most naÏve implementation for massless scalars leads to the operator basis for pions, which we confirm using the standard CCWZ formulation for non-linear realizations. Finally, although primarily discussed in the language of EFT, some of our results — conceptual and quantitative — may be of broader use in studying conformal field theories as well as the AdS/CFT correspondence.« less

Operator bases, S-matrices, and their partition functions

DOE PAGES

Henning, Brian; Lu, Xiaochuan; Melia, Tom; ...

2017-10-27

Relativistic quantum systems that admit scattering experiments are quantitatively described by effective field theories, where S-matrix kinematics and symmetry considerations are encoded in the operator spectrum of the EFT. Here in this paper we use the S-matrix to derive the structure of the EFT operator basis, providing complementary descriptions in (i) position space utilizing the conformal algebra and cohomology and (ii) momentum space via an algebraic formulation in terms of a ring of momenta with kinematics implemented as an ideal. These frameworks systematically handle redundancies associated with equations of motion (on-shell) and integration by parts (momentum conservation). We introduce amore » partition function, termed the Hilbert series, to enumerate the operator basis — correspondingly, the S-matrix — and derive a matrix integral expression to compute the Hilbert series. The expression is general, easily applied in any spacetime dimension, with arbitrary field content and (linearly realized) symmetries. In addition to counting, we discuss construction of the basis. Simple algorithms follow from the algebraic formulation in momentum space. We explicitly compute the basis for operators involving up to n = 5 scalar fields. This construction universally applies to fields with spin, since the operator basis for scalars encodes the momentum dependence of n-point amplitudes. We discuss in detail the operator basis for non-linearly realized symmetries. In the presence of massless particles, there is freedom to impose additional structure on the S- matrix in the form of soft limits. The most naÏve implementation for massless scalars leads to the operator basis for pions, which we confirm using the standard CCWZ formulation for non-linear realizations. Finally, although primarily discussed in the language of EFT, some of our results — conceptual and quantitative — may be of broader use in studying conformal field theories as well as the AdS/CFT correspondence.« less

Research on Laser Marking Speed Optimization by Using Genetic Algorithm

PubMed Central

Wang, Dongyun; Yu, Qiwei; Zhang, Yu

2015-01-01

Laser Marking Machine is the most common coding equipment on product packaging lines. However, the speed of laser marking has become a bottleneck of production. In order to remove this bottleneck, a new method based on a genetic algorithm is designed. On the basis of this algorithm, a controller was designed and simulations and experiments were performed. The results show that using this algorithm could effectively improve laser marking efficiency by 25%. PMID:25955831

Key Generation for Fast Inversion of the Paillier Encryption Function

NASA Astrophysics Data System (ADS)

Hirano, Takato; Tanaka, Keisuke

We study fast inversion of the Paillier encryption function. Especially, we focus only on key generation, and do not modify the Paillier encryption function. We propose three key generation algorithms based on the speeding-up techniques for the RSA encryption function. By using our algorithms, the size of the private CRT exponent is half of that of Paillier-CRT. The first algorithm employs the extended Euclidean algorithm. The second algorithm employs factoring algorithms, and can construct the private CRT exponent with low Hamming weight. The third algorithm is a variant of the second one, and has some advantage such as compression of the private CRT exponent and no requirement for factoring algorithms. We also propose the settings of the parameters for these algorithms and analyze the security of the Paillier encryption function by these algorithms against known attacks. Finally, we give experimental results of our algorithms.

Coupled optics reconstruction from TBT data using MAD-X

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

Alexahin, Y.; Gianfelice-Wendt, E.; /Fermilab

2007-06-01

Turn-by-turn BPM data provide immediate information on the coupled optics functions at BPM locations. In the case of small deviations from the known (design) uncoupled optics some cognizance of the sources of perturbation, BPM calibration errors and tilts can also be inferred without detailed lattice modeling. In practical situations, however, fitting the lattice model with the help of some optics code would lead to more reliable results. We present an algorithm for coupled optics reconstruction from TBT data on the basis of MAD-X and give examples of its application for the Fermilab Tevatron accelerator.

Support vector machine multiuser receiver for DS-CDMA signals in multipath channels.

PubMed

Chen, S; Samingan, A K; Hanzo, L

2001-01-01

The problem of constructing an adaptive multiuser detector (MUD) is considered for direct sequence code division multiple access (DS-CDMA) signals transmitted through multipath channels. The emerging learning technique, called support vector machines (SVM), is proposed as a method of obtaining a nonlinear MUD from a relatively small training data block. Computer simulation is used to study this SVM MUD, and the results show that it can closely match the performance of the optimal Bayesian one-shot detector. Comparisons with an adaptive radial basis function (RBF) MUD trained by an unsupervised clustering algorithm are discussed.

Precision Interval Estimation of the Response Surface by Means of an Integrated Algorithm of Neural Network and Linear Regression

NASA Technical Reports Server (NTRS)

Lo, Ching F.

1999-01-01

The integration of Radial Basis Function Networks and Back Propagation Neural Networks with the Multiple Linear Regression has been accomplished to map nonlinear response surfaces over a wide range of independent variables in the process of the Modem Design of Experiments. The integrated method is capable to estimate the precision intervals including confidence and predicted intervals. The power of the innovative method has been demonstrated by applying to a set of wind tunnel test data in construction of response surface and estimation of precision interval.

Accurate ab initio quartic force fields for borane and BeH2

NASA Technical Reports Server (NTRS)

Martin, J. M. L.; Lee, Timothy J.

1992-01-01

The quartic force fields of BH3 and BeH2 have been computed ab initio using an augmented coupled cluster (CCSD(T)) method and basis sets of spdf and spdfg quality. For BH3, the computed spectroscopic constants are in very good agreement with recent experimental data, and definitively confirm misassignments in some older work, in agreement with recent ab initio studies. Using the computed spectroscopic constants, the rovibrational partition function for both molecules has been constructed using a modified direct numerical summation algorithm, and JANAF-style thermochemical tables are presented.

Signal detection using support vector machines in the presence of ultrasonic speckle

NASA Astrophysics Data System (ADS)

Kotropoulos, Constantine L.; Pitas, Ioannis

2002-04-01

Support Vector Machines are a general algorithm based on guaranteed risk bounds of statistical learning theory. They have found numerous applications, such as in classification of brain PET images, optical character recognition, object detection, face verification, text categorization and so on. In this paper we propose the use of support vector machines to segment lesions in ultrasound images and we assess thoroughly their lesion detection ability. We demonstrate that trained support vector machines with a Radial Basis Function kernel segment satisfactorily (unseen) ultrasound B-mode images as well as clinical ultrasonic images.

Model of Cortical Organization Embodying a Basis for a Theory of Information Processing and Memory Recall

NASA Astrophysics Data System (ADS)

Shaw, Gordon L.; Silverman, Dennis J.; Pearson, John C.

1985-04-01

Motivated by V. B. Mountcastle's organizational principle for neocortical function, and by M. E. Fisher's model of physical spin systems, we introduce a cooperative model of the cortical column incorporating an idealized substructure, the trion, which represents a localized group of neurons. Computer studies reveal that typical networks composed of a small number of trions (with symmetric interactions) exhibit striking behavior--e.g., hundreds to thousands of quasi-stable, periodic firing patterns, any of which can be selected out and enhanced with only small changes in interaction strengths by using a Hebb-type algorithm.

A new operational approach for solving fractional variational problems depending on indefinite integrals

NASA Astrophysics Data System (ADS)

Ezz-Eldien, S. S.; Doha, E. H.; Bhrawy, A. H.; El-Kalaawy, A. A.; Machado, J. A. T.

2018-04-01

In this paper, we propose a new accurate and robust numerical technique to approximate the solutions of fractional variational problems (FVPs) depending on indefinite integrals with a type of fixed Riemann-Liouville fractional integral. The proposed technique is based on the shifted Chebyshev polynomials as basis functions for the fractional integral operational matrix (FIOM). Together with the Lagrange multiplier method, these problems are then reduced to a system of algebraic equations, which greatly simplifies the solution process. Numerical examples are carried out to confirm the accuracy, efficiency and applicability of the proposed algorithm

Automated design synthesis of robotic/human workcells for improved manufacturing system design in hazardous environments

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

Williams, Joshua M.

Manufacturing tasks that are deemed too hazardous for workers require the use of automation, robotics, and/or other remote handling tools. The associated hazards may be radiological or nonradiological, and based on the characteristics of the environment and processing, a design may necessitate robotic labor, human labor, or both. There are also other factors such as cost, ergonomics, maintenance, and efficiency that also effect task allocation and other design choices. Handling the tradeoffs of these factors can be complex, and lack of experience can be an issue when trying to determine if and what feasible automation/robotics options exist. To address thismore » problem, we utilize common engineering design approaches adapted more for manufacturing system design in hazardous environments. We limit our scope to the conceptual and embodiment design stages, specifically a computational algorithm for concept generation and early design evaluation. In regard to concept generation, we first develop the functional model or function structure for the process, using the common 'verb-noun' format for describing function. A common language or functional basis for manufacturing was developed and utilized to formalize function descriptions and guide rules for function decomposition. Potential components for embodiment are also grouped in terms of this functional language and are stored in a database. The properties of each component are given as quantitative and qualitative criteria. Operators are also rated for task-relevant criteria which are used to address task compatibility. Through the gathering of process requirements/constraints, construction of the component database, and development of the manufacturing basis and rule set, design knowledge is stored and available for computer use. Thus, once the higher level process functions are defined, the computer can automate the synthesis of new design concepts through alternating steps of embodiment and function structure updates/decomposition. In the process, criteria guide function allocation of components/operators and help ensure compatibility and feasibility. Through multiple function assignment options and varied function structures, multiple design concepts are created. All of the generated designs are then evaluated based on a number of relevant evaluation criteria: cost, dose, ergonomics, hazards, efficiency, etc. These criteria are computed using physical properties/parameters of each system based on the qualities an engineer would use to make evaluations. Nuclear processes such as oxide conversion and electrorefining are utilized to aid algorithm development and provide test cases for the completed program. Through our approach, we capture design knowledge related to manufacturing and other operations in hazardous environments to enable a computational program to automatically generate and evaluate system design concepts.« less

One cutting plane algorithm using auxiliary functions

NASA Astrophysics Data System (ADS)

Zabotin, I. Ya; Kazaeva, K. E.

2016-11-01

We propose an algorithm for solving a convex programming problem from the class of cutting methods. The algorithm is characterized by the construction of approximations using some auxiliary functions, instead of the objective function. Each auxiliary function bases on the exterior penalty function. In proposed algorithm the admissible set and the epigraph of each auxiliary function are embedded into polyhedral sets. In connection with the above, the iteration points are found by solving linear programming problems. We discuss the implementation of the algorithm and prove its convergence.

SU-F-I-41: Calibration-Free Material Decomposition for Dual-Energy CT

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

Zhao, W; Xing, L; Zhang, Q

2016-06-15

Purpose: To eliminate tedious phantom calibration or manually region of interest (ROI) selection as required in dual-energy CT material decomposition, we establish a new projection-domain material decomposition framework with incorporation of energy spectrum. Methods: Similar to the case of dual-energy CT, the integral of the basis material image in our model is expressed as a linear combination of basis functions, which are the polynomials of high- and low-energy raw projection data. To yield the unknown coefficients of the linear combination, the proposed algorithm minimizes the quadratic error between the high- and low-energy raw projection data and the projection calculated usingmore » material images. We evaluate the algorithm with an iodine concentration numerical phantom at different dose and iodine concentration levels. The x-ray energy spectra of the high and low energy are estimated using an indirect transmission method. The derived monochromatic images are compared with the high- and low-energy CT images to demonstrate beam hardening artifacts reduction. Quantitative results were measured and compared to the true values. Results: The differences between the true density value used for simulation and that were obtained from the monochromatic images, are 1.8%, 1.3%, 2.3%, and 2.9% for the dose levels from standard dose to 1/8 dose, and are 0.4%, 0.7%, 1.5%, and 1.8% for the four iodine concentration levels from 6 mg/mL to 24 mg/mL. For all of the cases, beam hardening artifacts, especially streaks shown between dense inserts, are almost completely removed in the monochromatic images. Conclusion: The proposed algorithm provides an effective way to yield material images and artifacts-free monochromatic images at different dose levels without the need for phantom calibration or ROI selection. Furthermore, the approach also yields accurate results when the concentration of the iodine concentrate insert is very low, suggesting the algorithm is robust with respect to the low-contrast scenario.« less

A two-stage approach to removing noise from recorded music

NASA Astrophysics Data System (ADS)

Berger, Jonathan; Goldberg, Maxim J.; Coifman, Ronald C.; Goldberg, Maxim J.; Coifman, Ronald C.

2004-05-01

A two-stage algorithm for removing noise from recorded music signals (first proposed in Berger et al., ICMC, 1995) is described and updated. The first stage selects the ``best'' local trigonometric basis for the signal and models noise as the part having high entropy [see Berger et al., J. Audio Eng. Soc. 42(10), 808-818 (1994)]. In the second stage, the original source and the model of the noise obtained from the first stage are expanded into dyadic trees of smooth local sine bases. The best basis for the source signal is extracted using a relative entropy function (the Kullback-Leibler distance) to compare the sum of the costs of the children nodes to the cost of their parent node; energies of the noise in corresponding nodes of the model noise tree are used as weights. The talk will include audio examples of various stages of the method and proposals for further research.

Clinical evaluation of semi-automatic open-source algorithmic software segmentation of the mandibular bone: Practical feasibility and assessment of a new course of action

PubMed Central

Wallner, Jürgen; Hochegger, Kerstin; Chen, Xiaojun; Mischak, Irene; Reinbacher, Knut; Pau, Mauro; Zrnc, Tomislav; Schwenzer-Zimmerer, Katja; Zemann, Wolfgang; Schmalstieg, Dieter

2018-01-01

Introduction Computer assisted technologies based on algorithmic software segmentation are an increasing topic of interest in complex surgical cases. However—due to functional instability, time consuming software processes, personnel resources or licensed-based financial costs many segmentation processes are often outsourced from clinical centers to third parties and the industry. Therefore, the aim of this trial was to assess the practical feasibility of an easy available, functional stable and licensed-free segmentation approach to be used in the clinical practice. Material and methods In this retrospective, randomized, controlled trail the accuracy and accordance of the open-source based segmentation algorithm GrowCut was assessed through the comparison to the manually generated ground truth of the same anatomy using 10 CT lower jaw data-sets from the clinical routine. Assessment parameters were the segmentation time, the volume, the voxel number, the Dice Score and the Hausdorff distance. Results Overall semi-automatic GrowCut segmentation times were about one minute. Mean Dice Score values of over 85% and Hausdorff Distances below 33.5 voxel could be achieved between the algorithmic GrowCut-based segmentations and the manual generated ground truth schemes. Statistical differences between the assessment parameters were not significant (p<0.05) and correlation coefficients were close to the value one (r > 0.94) for any of the comparison made between the two groups. Discussion Complete functional stable and time saving segmentations with high accuracy and high positive correlation could be performed by the presented interactive open-source based approach. In the cranio-maxillofacial complex the used method could represent an algorithmic alternative for image-based segmentation in the clinical practice for e.g. surgical treatment planning or visualization of postoperative results and offers several advantages. Due to an open-source basis the used method could be further developed by other groups or specialists. Systematic comparisons to other segmentation approaches or with a greater data amount are areas of future works. PMID:29746490

Initial postbuckling analysis of elastoplastic thin-shear structures

NASA Technical Reports Server (NTRS)

Carnoy, E. G.; Panosyan, G.

1984-01-01

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

The Algorithm Theoretical Basis Document for the Derivation of Range and Range Distributions from Laser Pulse Waveform Analysis for Surface Elevations, Roughness, Slope, and Vegetation Heights

NASA Technical Reports Server (NTRS)

Brenner, Anita C.; Zwally, H. Jay; Bentley, Charles R.; Csatho, Bea M.; Harding, David J.; Hofton, Michelle A.; Minster, Jean-Bernard; Roberts, LeeAnne; Saba, Jack L.; Thomas, Robert H.;

VLSI architectures for computing multiplications and inverses in GF(2m)

NASA Technical Reports Server (NTRS)

Wang, C. C.; Truong, T. K.; Shao, H. M.; Deutsch, L. J.; Omura, J. K.

1985-01-01

Finite field arithmetic logic is central in the implementation of Reed-Solomon coders and in some cryptographic algorithms. There is a need for good multiplication and inversion algorithms that are easily realized on VLSI chips. Massey and Omura recently developed a new multiplication algorithm for Galois fields based on a normal basis representation. A pipeline structure is developed to realize the Massey-Omura multiplier in the finite field GF(2m). With the simple squaring property of the normal-basis representation used together with this multiplier, a pipeline architecture is also developed for computing inverse elements in GF(2m). The designs developed for the Massey-Omura multiplier and the computation of inverse elements are regular, simple, expandable and, therefore, naturally suitable for VLSI implementation.

VLSI architectures for computing multiplications and inverses in GF(2-m)

NASA Technical Reports Server (NTRS)

Wang, C. C.; Truong, T. K.; Shao, H. M.; Deutsch, L. J.; Omura, J. K.; Reed, I. S.

1983-01-01

Finite field arithmetic logic is central in the implementation of Reed-Solomon coders and in some cryptographic algorithms. There is a need for good multiplication and inversion algorithms that are easily realized on VLSI chips. Massey and Omura recently developed a new multiplication algorithm for Galois fields based on a normal basis representation. A pipeline structure is developed to realize the Massey-Omura multiplier in the finite field GF(2m). With the simple squaring property of the normal-basis representation used together with this multiplier, a pipeline architecture is also developed for computing inverse elements in GF(2m). The designs developed for the Massey-Omura multiplier and the computation of inverse elements are regular, simple, expandable and, therefore, naturally suitable for VLSI implementation.

VLSI architectures for computing multiplications and inverses in GF(2m).

PubMed

Wang, C C; Truong, T K; Shao, H M; Deutsch, L J; Omura, J K; Reed, I S

1985-08-01

Finite field arithmetic logic is central in the implementation of Reed-Solomon coders and in some cryptographic algorithms. There is a need for good multiplication and inversion algorithms that can be easily realized on VLSI chips. Massey and Omura recently developed a new multiplication algorithm for Galois fields based on a normal basis representation. In this paper, a pipeline structure is developed to realize the Massey-Omura multiplier in the finite field GF(2m). With the simple squaring property of the normal basis representation used together with this multiplier, a pipeline architecture is developed for computing inverse elements in GF(2m). The designs developed for the Massey-Omura multiplier and the computation of inverse elements are regular, simple, expandable, and therefore, naturally suitable for VLSI implementation.

Linear-scaling time-dependent density-functional theory beyond the Tamm-Dancoff approximation: Obtaining efficiency and accuracy with in situ optimised local orbitals

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

Zuehlsdorff, T. J., E-mail: tjz21@cam.ac.uk; Payne, M. C.; Hine, N. D. M.

2015-11-28

We present a solution of the full time-dependent density-functional theory (TDDFT) eigenvalue equation in the linear response formalism exhibiting a linear-scaling computational complexity with system size, without relying on the simplifying Tamm-Dancoff approximation (TDA). The implementation relies on representing the occupied and unoccupied subspaces with two different sets of in situ optimised localised functions, yielding a very compact and efficient representation of the transition density matrix of the excitation with the accuracy associated with a systematic basis set. The TDDFT eigenvalue equation is solved using a preconditioned conjugate gradient algorithm that is very memory-efficient. The algorithm is validated on amore » small test molecule and a good agreement with results obtained from standard quantum chemistry packages is found, with the preconditioner yielding a significant improvement in convergence rates. The method developed in this work is then used to reproduce experimental results of the absorption spectrum of bacteriochlorophyll in an organic solvent, where it is demonstrated that the TDA fails to reproduce the main features of the low energy spectrum, while the full TDDFT equation yields results in good qualitative agreement with experimental data. Furthermore, the need for explicitly including parts of the solvent into the TDDFT calculations is highlighted, making the treatment of large system sizes necessary that are well within reach of the capabilities of the algorithm introduced here. Finally, the linear-scaling properties of the algorithm are demonstrated by computing the lowest excitation energy of bacteriochlorophyll in solution. The largest systems considered in this work are of the same order of magnitude as a variety of widely studied pigment-protein complexes, opening up the possibility of studying their properties without having to resort to any semiclassical approximations to parts of the protein environment.« less

Matrix-product-state method with local basis optimization for nonequilibrium electron-phonon systems

NASA Astrophysics Data System (ADS)

Heidrich-Meisner, Fabian; Brockt, Christoph; Dorfner, Florian; Vidmar, Lev; Jeckelmann, Eric

We present a method for simulating the time evolution of quasi-one-dimensional correlated systems with strongly fluctuating bosonic degrees of freedom (e.g., phonons) using matrix product states. For this purpose we combine the time-evolving block decimation (TEBD) algorithm with a local basis optimization (LBO) approach. We discuss the performance of our approach in comparison to TEBD with a bare boson basis, exact diagonalization, and diagonalization in a limited functional space. TEBD with LBO can reduce the computational cost by orders of magnitude when boson fluctuations are large and thus it allows one to investigate problems that are out of reach of other approaches. First, we test our method on the non-equilibrium dynamics of a Holstein polaron and show that it allows us to study the regime of strong electron-phonon coupling. Second, the method is applied to the scattering of an electronic wave packet off a region with electron-phonon coupling. Our study reveals a rich physics including transient self-trapping and dissipation. Supported by Deutsche Forschungsgemeinschaft (DFG) via FOR 1807.

Algorithm for Calculating the Dissociation Constants of Ampholytes in Nonbuffer Systems

NASA Astrophysics Data System (ADS)

Lysova, S. S.; Skripnikova, T. A.; Zevatskii, Yu. E.

2018-05-01

An algorithm for calculating the dissociation constants of ampholytes in aqueous solutions is developed on the basis of spectrophotometric data in the UV and visible ranges without pH measurements of a medium and without buffer solutions. The proposed algorithm has been experimentally tested for five ampholytes of different strengths. The relative error of measuring dissociation constants is less than 5%.

Generalized gradient algorithm for trajectory optimization

NASA Technical Reports Server (NTRS)

Zhao, Yiyuan; Bryson, A. E.; Slattery, R.

1990-01-01

The generalized gradient algorithm presented and verified as a basis for the solution of trajectory optimization problems improves the performance index while reducing path equality constraints, and terminal equality constraints. The algorithm is conveniently divided into two phases, of which the first, 'feasibility' phase yields a solution satisfying both path and terminal constraints, while the second, 'optimization' phase uses the results of the first phase as initial guesses.

The openGL visualization of the 2D parallel FDTD algorithm

NASA Astrophysics Data System (ADS)

Walendziuk, Wojciech

2005-02-01

This paper presents a way of visualization of a two-dimensional version of a parallel algorithm of the FDTD method. The visualization module was created on the basis of the OpenGL graphic standard with the use of the GLUT interface. In addition, the work includes the results of the efficiency of the parallel algorithm in the form of speedup charts.

Refined genetic algorithm -- Economic dispatch example

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

Sheble, G.B.; Brittig, K.

1995-02-01

A genetic-based algorithm is used to solve an economic dispatch (ED) problem. The algorithm utilizes payoff information of perspective solutions to evaluate optimality. Thus, the constraints of classical LaGrangian techniques on unit curves are eliminated. Using an economic dispatch problem as a basis for comparison, several different techniques which enhance program efficiency and accuracy, such as mutation prediction, elitism, interval approximation and penalty factors, are explored. Two unique genetic algorithms are also compared. The results are verified for a sample problem using a classical technique.

Algorithm for detection the QRS complexes based on support vector machine

NASA Astrophysics Data System (ADS)

Van, G. V.; Podmasteryev, K. V.

2017-11-01

The efficiency of computer ECG analysis depends on the accurate detection of QRS-complexes. This paper presents an algorithm for QRS complex detection based of support vector machine (SVM). The proposed algorithm is evaluated on annotated standard databases such as MIT-BIH Arrhythmia database. The QRS detector obtained a sensitivity Se = 98.32% and specificity Sp = 95.46% for MIT-BIH Arrhythmia database. This algorithm can be used as the basis for the software to diagnose electrical activity of the heart.

Cloud detection algorithm comparison and validation for operational Landsat data products

USGS Publications Warehouse

Foga, Steven Curtis; Scaramuzza, Pat; Guo, Song; Zhu, Zhe; Dilley, Ronald; Beckmann, Tim; Schmidt, Gail L.; Dwyer, John L.; Hughes, MJ; Laue, Brady

2017-01-01

Clouds are a pervasive and unavoidable issue in satellite-borne optical imagery. Accurate, well-documented, and automated cloud detection algorithms are necessary to effectively leverage large collections of remotely sensed data. The Landsat project is uniquely suited for comparative validation of cloud assessment algorithms because the modular architecture of the Landsat ground system allows for quick evaluation of new code, and because Landsat has the most comprehensive manual truth masks of any current satellite data archive. Currently, the Landsat Level-1 Product Generation System (LPGS) uses separate algorithms for determining clouds, cirrus clouds, and snow and/or ice probability on a per-pixel basis. With more bands onboard the Landsat 8 Operational Land Imager (OLI)/Thermal Infrared Sensor (TIRS) satellite, and a greater number of cloud masking algorithms, the U.S. Geological Survey (USGS) is replacing the current cloud masking workflow with a more robust algorithm that is capable of working across multiple Landsat sensors with minimal modification. Because of the inherent error from stray light and intermittent data availability of TIRS, these algorithms need to operate both with and without thermal data. In this study, we created a workflow to evaluate cloud and cloud shadow masking algorithms using cloud validation masks manually derived from both Landsat 7 Enhanced Thematic Mapper Plus (ETM +) and Landsat 8 OLI/TIRS data. We created a new validation dataset consisting of 96 Landsat 8 scenes, representing different biomes and proportions of cloud cover. We evaluated algorithm performance by overall accuracy, omission error, and commission error for both cloud and cloud shadow. We found that CFMask, C code based on the Function of Mask (Fmask) algorithm, and its confidence bands have the best overall accuracy among the many algorithms tested using our validation data. The Artificial Thermal-Automated Cloud Cover Algorithm (AT-ACCA) is the most accurate nonthermal-based algorithm. We give preference to CFMask for operational cloud and cloud shadow detection, as it is derived from a priori knowledge of physical phenomena and is operable without geographic restriction, making it useful for current and future land imaging missions without having to be retrained in a machine-learning environment.

[The study of medical supplies automation replenishment algorithm in hospital on medical supplies supplying chain].

PubMed

Sheng, Xi

2012-07-01

The thesis aims to study the automation replenishment algorithm in hospital on medical supplies supplying chain. The mathematical model and algorithm of medical supplies automation replenishment are designed through referring to practical data form hospital on the basis of applying inventory theory, greedy algorithm and partition algorithm. The automation replenishment algorithm is proved to realize automatic calculation of the medical supplies distribution amount and optimize medical supplies distribution scheme. A conclusion could be arrived that the model and algorithm of inventory theory, if applied in medical supplies circulation field, could provide theoretical and technological support for realizing medical supplies automation replenishment of hospital on medical supplies supplying chain.

A new stellar spectrum interpolation algorithm and its application to Yunnan-III evolutionary population synthesis models

NASA Astrophysics Data System (ADS)

Cheng, Liantao; Zhang, Fenghui; Kang, Xiaoyu; Wang, Lang

2018-05-01

In evolutionary population synthesis (EPS) models, we need to convert stellar evolutionary parameters into spectra via interpolation in a stellar spectral library. For theoretical stellar spectral libraries, the spectrum grid is homogeneous on the effective-temperature and gravity plane for a given metallicity. It is relatively easy to derive stellar spectra. For empirical stellar spectral libraries, stellar parameters are irregularly distributed and the interpolation algorithm is relatively complicated. In those EPS models that use empirical stellar spectral libraries, different algorithms are used and the codes are often not released. Moreover, these algorithms are often complicated. In this work, based on a radial basis function (RBF) network, we present a new spectrum interpolation algorithm and its code. Compared with the other interpolation algorithms that are used in EPS models, it can be easily understood and is highly efficient in terms of computation. The code is written in MATLAB scripts and can be used on any computer system. Using it, we can obtain the interpolated spectra from a library or a combination of libraries. We apply this algorithm to several stellar spectral libraries (such as MILES, ELODIE-3.1 and STELIB-3.2) and give the integrated spectral energy distributions (ISEDs) of stellar populations (with ages from 1 Myr to 14 Gyr) by combining them with Yunnan-III isochrones. Our results show that the differences caused by the adoption of different EPS model components are less than 0.2 dex. All data about the stellar population ISEDs in this work and the RBF spectrum interpolation code can be obtained by request from the first author or downloaded from http://www1.ynao.ac.cn/˜zhangfh.

Blind restoration method of three-dimensional microscope image based on RL algorithm

NASA Astrophysics Data System (ADS)

Yao, Jin-li; Tian, Si; Wang, Xiang-rong; Wang, Jing-li

2013-08-01

Thin specimens of biological tissue appear three dimensional transparent under a microscope. The optic slice images can be captured by moving the focal planes at the different locations of the specimen. The captured image has low resolution due to the influence of the out-of-focus information comes from the planes adjacent to the local plane. Using traditional methods can remove the blur in the images at a certain degree, but it needs to know the point spread function (PSF) of the imaging system accurately. The accuracy degree of PSF influences the restoration result greatly. In fact, it is difficult to obtain the accurate PSF of the imaging system. In order to restore the original appearance of the specimen under the conditions of the imaging system parameters are unknown or there is noise and spherical aberration in the system, a blind restoration methods of three-dimensional microscope based on the R-L algorithm is proposed in this paper. On the basis of the exhaustive study of the two-dimension R-L algorithm, according to the theory of the microscopy imaging and the wavelet transform denoising pretreatment, we expand the R-L algorithm to three-dimension space. It is a nonlinear restoration method with the maximum entropy constraint. The method doesn't need to know the PSF of the microscopy imaging system precisely to recover the blur image. The image and PSF converge to the optimum solutions by many alterative iterations and corrections. The matlab simulation and experiments results show that the expansion algorithm is better in visual indicators, peak signal to noise ratio and improved signal to noise ratio when compared with the PML algorithm, and the proposed algorithm can suppress noise, restore more details of target, increase image resolution.

Algorithmic analysis of relational learning processes in instructional technology: Some implications for basic, translational, and applied research.

PubMed

McIlvane, William J; Kledaras, Joanne B; Gerard, Christophe J; Wilde, Lorin; Smelson, David

2018-07-01

A few noteworthy exceptions notwithstanding, quantitative analyses of relational learning are most often simple descriptive measures of study outcomes. For example, studies of stimulus equivalence have made much progress using measures such as percentage consistent with equivalence relations, discrimination ratio, and response latency. Although procedures may have ad hoc variations, they remain fairly similar across studies. Comparison studies of training variables that lead to different outcomes are few. Yet to be developed are tools designed specifically for dynamic and/or parametric analyses of relational learning processes. This paper will focus on recent studies to develop (1) quality computer-based programmed instruction for supporting relational learning in children with autism spectrum disorders and intellectual disabilities and (2) formal algorithms that permit ongoing, dynamic assessment of learner performance and procedure changes to optimize instructional efficacy and efficiency. Because these algorithms have a strong basis in evidence and in theories of stimulus control, they may have utility also for basic and translational research. We present an overview of the research program, details of algorithm features, and summary results that illustrate their possible benefits. It also presents arguments that such algorithm development may encourage parametric research, help in integrating new research findings, and support in-depth quantitative analyses of stimulus control processes in relational learning. Such algorithms may also serve to model control of basic behavioral processes that is important to the design of effective programmed instruction for human learners with and without functional disabilities. Copyright © 2018 Elsevier B.V. All rights reserved.

Use of zerotree coding in a high-speed pyramid image multiresolution decomposition

NASA Astrophysics Data System (ADS)

Vega-Pineda, Javier; Cabrera, Sergio D.; Lucero, Aldo

1995-03-01

A Zerotree (ZT) coding scheme is applied as a post-processing stage to avoid transmitting zero data in the High-Speed Pyramid (HSP) image compression algorithm. This algorithm has features that increase the capability of the ZT coding to give very high compression rates. In this paper the impact of the ZT coding scheme is analyzed and quantified. The HSP algorithm creates a discrete-time multiresolution analysis based on a hierarchical decomposition technique that is a subsampling pyramid. The filters used to create the image residues and expansions can be related to wavelet representations. According to the pixel coordinates and the level in the pyramid, N2 different wavelet basis functions of various sizes and rotations are linearly combined. The HSP algorithm is computationally efficient because of the simplicity of the required operations, and as a consequence, it can be very easily implemented with VLSI hardware. This is the HSP's principal advantage over other compression schemes. The ZT coding technique transforms the different quantized image residual levels created by the HSP algorithm into a bit stream. The use of ZT's compresses even further the already compressed image taking advantage of parent-child relationships (trees) between the pixels of the residue images at different levels of the pyramid. Zerotree coding uses the links between zeros along the hierarchical structure of the pyramid, to avoid transmission of those that form branches of all zeros. Compression performance and algorithm complexity of the combined HSP-ZT method are compared with those of the JPEG standard technique.

Generalizing the self-healing diffusion Monte Carlo approach to finite temperature: A path for the optimization of low-energy many-body bases

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

Reboredo, Fernando A.; Kim, Jeongnim

A statistical method is derived for the calculation of thermodynamic properties of many-body systems at low temperatures. This method is based on the self-healing diffusion Monte Carlo method for complex functions [F. A. Reboredo, J. Chem. Phys. 136, 204101 (2012)] and some ideas of the correlation function Monte Carlo approach [D. M. Ceperley and B. Bernu, J. Chem. Phys. 89, 6316 (1988)]. In order to allow the evolution in imaginary time to describe the density matrix, we remove the fixed-node restriction using complex antisymmetric guiding wave functions. In the process we obtain a parallel algorithm that optimizes a small subspacemore » of the many-body Hilbert space to provide maximum overlap with the subspace spanned by the lowest-energy eigenstates of a many-body Hamiltonian. We show in a model system that the partition function is progressively maximized within this subspace. We show that the subspace spanned by the small basis systematically converges towards the subspace spanned by the lowest energy eigenstates. Possible applications of this method for calculating the thermodynamic properties of many-body systems near the ground state are discussed. The resulting basis can also be used to accelerate the calculation of the ground or excited states with quantum Monte Carlo.« less

Cerebellar-inspired algorithm for adaptive control of nonlinear dielectric elastomer-based artificial muscle

PubMed Central

Assaf, Tareq; Rossiter, Jonathan M.; Porrill, John

2016-01-01

Electroactive polymer actuators are important for soft robotics, but can be difficult to control because of compliance, creep and nonlinearities. Because biological control mechanisms have evolved to deal with such problems, we investigated whether a control scheme based on the cerebellum would be useful for controlling a nonlinear dielectric elastomer actuator, a class of artificial muscle. The cerebellum was represented by the adaptive filter model, and acted in parallel with a brainstem, an approximate inverse plant model. The recurrent connections between the two allowed for direct use of sensory error to adjust motor commands. Accurate tracking of a displacement command in the actuator's nonlinear range was achieved by either semi-linear basis functions in the cerebellar model or semi-linear functions in the brainstem corresponding to recruitment in biological muscle. In addition, allowing transfer of training between cerebellum and brainstem as has been observed in the vestibulo-ocular reflex prevented the steady increase in cerebellar output otherwise required to deal with creep. The extensibility and relative simplicity of the cerebellar-based adaptive-inverse control scheme suggests that it is a plausible candidate for controlling this type of actuator. Moreover, its performance highlights important features of biological control, particularly nonlinear basis functions, recruitment and transfer of training. PMID:27655667

Black light - How sensors filter spectral variation of the illuminant

NASA Technical Reports Server (NTRS)

Brainard, David H.; Wandell, Brian A.; Cowan, William B.

1989-01-01

Visual sensor responses may be used to classify objects on the basis of their surface reflectance functions. In a color image, the image data are represented as a vector of sensor responses at each point in the image. This vector depends both on the surface reflectance functions and on the spectral power distribution of the ambient illumination. Algorithms designed to classify objects on the basis of their surface reflectance functions typically attempt to overcome the dependence of the sensor responses on the illuminant by integrating sensor data collected from multiple surfaces. In machine vision applications, it is shown that it is often possible to design the sensor spectral responsivities so that the vector direction of the sensor responses does not depend upon the illuminant. The conditions under which this is possible are given and an illustrative calculation is performed. In biological systems, where the sensor responsivities are fixed, it is shown that some changes in the illumination cause no change in the sensor responses. Such changes in illuminant are called black illuminants. It is possible to express any illuminant as the sum of two unique components. One component is a black illuminant. The second component is called the visible component. The visible component of an illuminant completely characterizes the effect of the illuminant on the vector of sensor responses.

Online dimensionality reduction using competitive learning and Radial Basis Function network.

PubMed

Tomenko, Vladimir

2011-06-01

The general purpose dimensionality reduction method should preserve data interrelations at all scales. Additional desired features include online projection of new data, processing nonlinearly embedded manifolds and large amounts of data. The proposed method, called RBF-NDR, combines these features. RBF-NDR is comprised of two modules. The first module learns manifolds by utilizing modified topology representing networks and geodesic distance in data space and approximates sampled or streaming data with a finite set of reference patterns, thus achieving scalability. Using input from the first module, the dimensionality reduction module constructs mappings between observation and target spaces. Introduction of specific loss function and synthesis of the training algorithm for Radial Basis Function network results in global preservation of data structures and online processing of new patterns. The RBF-NDR was applied for feature extraction and visualization and compared with Principal Component Analysis (PCA), neural network for Sammon's projection (SAMANN) and Isomap. With respect to feature extraction, the method outperformed PCA and yielded increased performance of the model describing wastewater treatment process. As for visualization, RBF-NDR produced superior results compared to PCA and SAMANN and matched Isomap. For the Topic Detection and Tracking corpus, the method successfully separated semantically different topics. Copyright © 2011 Elsevier Ltd. All rights reserved.

New algorithms for motion error detection of numerical control machine tool by laser tracking measurement on the basis of GPS principle.

PubMed

Wang, Jindong; Chen, Peng; Deng, Yufen; Guo, Junjie

2018-01-01

As a three-dimensional measuring instrument, the laser tracker is widely used in industrial measurement. To avoid the influence of angle measurement error on the overall measurement accuracy, the multi-station and time-sharing measurement with a laser tracker is introduced on the basis of the global positioning system (GPS) principle in this paper. For the proposed method, how to accurately determine the coordinates of each measuring point by using a large amount of measured data is a critical issue. Taking detecting motion error of a numerical control machine tool, for example, the corresponding measurement algorithms are investigated thoroughly. By establishing the mathematical model of detecting motion error of a machine tool with this method, the analytical algorithm concerning on base station calibration and measuring point determination is deduced without selecting the initial iterative value in calculation. However, when the motion area of the machine tool is in a 2D plane, the coefficient matrix of base station calibration is singular, which generates a distortion result. In order to overcome the limitation of the original algorithm, an improved analytical algorithm is also derived. Meanwhile, the calibration accuracy of the base station with the improved algorithm is compared with that with the original analytical algorithm and some iterative algorithms, such as the Gauss-Newton algorithm and Levenberg-Marquardt algorithm. The experiment further verifies the feasibility and effectiveness of the improved algorithm. In addition, the different motion areas of the machine tool have certain influence on the calibration accuracy of the base station, and the corresponding influence of measurement error on the calibration result of the base station depending on the condition number of coefficient matrix are analyzed.

New algorithms for motion error detection of numerical control machine tool by laser tracking measurement on the basis of GPS principle

NASA Astrophysics Data System (ADS)

Wang, Jindong; Chen, Peng; Deng, Yufen; Guo, Junjie

2018-01-01

As a three-dimensional measuring instrument, the laser tracker is widely used in industrial measurement. To avoid the influence of angle measurement error on the overall measurement accuracy, the multi-station and time-sharing measurement with a laser tracker is introduced on the basis of the global positioning system (GPS) principle in this paper. For the proposed method, how to accurately determine the coordinates of each measuring point by using a large amount of measured data is a critical issue. Taking detecting motion error of a numerical control machine tool, for example, the corresponding measurement algorithms are investigated thoroughly. By establishing the mathematical model of detecting motion error of a machine tool with this method, the analytical algorithm concerning on base station calibration and measuring point determination is deduced without selecting the initial iterative value in calculation. However, when the motion area of the machine tool is in a 2D plane, the coefficient matrix of base station calibration is singular, which generates a distortion result. In order to overcome the limitation of the original algorithm, an improved analytical algorithm is also derived. Meanwhile, the calibration accuracy of the base station with the improved algorithm is compared with that with the original analytical algorithm and some iterative algorithms, such as the Gauss-Newton algorithm and Levenberg-Marquardt algorithm. The experiment further verifies the feasibility and effectiveness of the improved algorithm. In addition, the different motion areas of the machine tool have certain influence on the calibration accuracy of the base station, and the corresponding influence of measurement error on the calibration result of the base station depending on the condition number of coefficient matrix are analyzed.

Evaluation of registration, compression and classification algorithms. Volume 1: Results

NASA Technical Reports Server (NTRS)

Jayroe, R.; Atkinson, R.; Callas, L.; Hodges, J.; Gaggini, B.; Peterson, J.

1979-01-01

The registration, compression, and classification algorithms were selected on the basis that such a group would include most of the different and commonly used approaches. The results of the investigation indicate clearcut, cost effective choices for registering, compressing, and classifying multispectral imagery.

Fast localized orthonormal virtual orbitals which depend smoothly on nuclear coordinates.

PubMed

Subotnik, Joseph E; Dutoi, Anthony D; Head-Gordon, Martin

2005-09-15

We present here an algorithm for computing stable, well-defined localized orthonormal virtual orbitals which depend smoothly on nuclear coordinates. The algorithm is very fast, limited only by diagonalization of two matrices with dimension the size of the number of virtual orbitals. Furthermore, we require no more than quadratic (in the number of electrons) storage. The basic premise behind our algorithm is that one can decompose any given atomic-orbital (AO) vector space as a minimal basis space (which includes the occupied and valence virtual spaces) and a hard-virtual (HV) space (which includes everything else). The valence virtual space localizes easily with standard methods, while the hard-virtual space is constructed to be atom centered and automatically local. The orbitals presented here may be computed almost as quickly as projecting the AO basis onto the virtual space and are almost as local (according to orbital variance), while our orbitals are orthonormal (rather than redundant and nonorthogonal). We expect this algorithm to find use in local-correlation methods.

Network-Based Disease Module Discovery by a Novel Seed Connector Algorithm with Pathobiological Implications.

PubMed

Wang, Rui-Sheng; Loscalzo, Joseph

2018-05-20

Understanding the genetic basis of complex diseases is challenging. Prior work shows that disease-related proteins do not typically function in isolation. Rather, they often interact with each other to form a network module that underlies dysfunctional mechanistic pathways. Identifying such disease modules will provide insights into a systems-level understanding of molecular mechanisms of diseases. Owing to the incompleteness of our knowledge of disease proteins and limited information on the biological mediators of pathobiological processes, the key proteins (seed proteins) for many diseases appear scattered over the human protein-protein interactome and form a few small branches, rather than coherent network modules. In this paper, we develop a network-based algorithm, called the Seed Connector algorithm (SCA), to pinpoint disease modules by adding as few additional linking proteins (seed connectors) to the seed protein pool as possible. Such seed connectors are hidden disease module elements that are critical for interpreting the functional context of disease proteins. The SCA aims to connect seed disease proteins so that disease mechanisms and pathways can be decoded based on predicted coherent network modules. We validate the algorithm using a large corpus of 70 complex diseases and binding targets of over 200 drugs, and demonstrate the biological relevance of the seed connectors. Lastly, as a specific proof of concept, we apply the SCA to a set of seed proteins for coronary artery disease derived from a meta-analysis of large-scale genome-wide association studies and obtain a coronary artery disease module enriched with important disease-related signaling pathways and drug targets not previously recognized. Copyright © 2018 Elsevier Ltd. All rights reserved.

Porting ONETEP to graphical processing unit-based coprocessors. 1. FFT box operations.

PubMed

Wilkinson, Karl; Skylaris, Chris-Kriton

2013-10-30

We present the first graphical processing unit (GPU) coprocessor-enabled version of the Order-N Electronic Total Energy Package (ONETEP) code for linear-scaling first principles quantum mechanical calculations on materials. This work focuses on porting to the GPU the parts of the code that involve atom-localized fast Fourier transform (FFT) operations. These are among the most computationally intensive parts of the code and are used in core algorithms such as the calculation of the charge density, the local potential integrals, the kinetic energy integrals, and the nonorthogonal generalized Wannier function gradient. We have found that direct porting of the isolated FFT operations did not provide any benefit. Instead, it was necessary to tailor the port to each of the aforementioned algorithms to optimize data transfer to and from the GPU. A detailed discussion of the methods used and tests of the resulting performance are presented, which show that individual steps in the relevant algorithms are accelerated by a significant amount. However, the transfer of data between the GPU and host machine is a significant bottleneck in the reported version of the code. In addition, an initial investigation into a dynamic precision scheme for the ONETEP energy calculation has been performed to take advantage of the enhanced single precision capabilities of GPUs. The methods used here result in no disruption to the existing code base. Furthermore, as the developments reported here concern the core algorithms, they will benefit the full range of ONETEP functionality. Our use of a directive-based programming model ensures portability to other forms of coprocessors and will allow this work to form the basis of future developments to the code designed to support emerging high-performance computing platforms. Copyright © 2013 Wiley Periodicals, Inc.

Automated diagnoses of attention deficit hyperactive disorder using magnetic resonance imaging.

PubMed

Eloyan, Ani; Muschelli, John; Nebel, Mary Beth; Liu, Han; Han, Fang; Zhao, Tuo; Barber, Anita D; Joel, Suresh; Pekar, James J; Mostofsky, Stewart H; Caffo, Brian

2012-01-01

Successful automated diagnoses of attention deficit hyperactive disorder (ADHD) using imaging and functional biomarkers would have fundamental consequences on the public health impact of the disease. In this work, we show results on the predictability of ADHD using imaging biomarkers and discuss the scientific and diagnostic impacts of the research. We created a prediction model using the landmark ADHD 200 data set focusing on resting state functional connectivity (rs-fc) and structural brain imaging. We predicted ADHD status and subtype, obtained by behavioral examination, using imaging data, intelligence quotients and other covariates. The novel contributions of this manuscript include a thorough exploration of prediction and image feature extraction methodology on this form of data, including the use of singular value decompositions (SVDs), CUR decompositions, random forest, gradient boosting, bagging, voxel-based morphometry, and support vector machines as well as important insights into the value, and potentially lack thereof, of imaging biomarkers of disease. The key results include the CUR-based decomposition of the rs-fc-fMRI along with gradient boosting and the prediction algorithm based on a motor network parcellation and random forest algorithm. We conjecture that the CUR decomposition is largely diagnosing common population directions of head motion. Of note, a byproduct of this research is a potential automated method for detecting subtle in-scanner motion. The final prediction algorithm, a weighted combination of several algorithms, had an external test set specificity of 94% with sensitivity of 21%. The most promising imaging biomarker was a correlation graph from a motor network parcellation. In summary, we have undertaken a large-scale statistical exploratory prediction exercise on the unique ADHD 200 data set. The exercise produced several potential leads for future scientific exploration of the neurological basis of ADHD.

Automated diagnoses of attention deficit hyperactive disorder using magnetic resonance imaging

PubMed Central

Eloyan, Ani; Muschelli, John; Nebel, Mary Beth; Liu, Han; Han, Fang; Zhao, Tuo; Barber, Anita D.; Joel, Suresh; Pekar, James J.; Mostofsky, Stewart H.; Caffo, Brian

2012-01-01

Successful automated diagnoses of attention deficit hyperactive disorder (ADHD) using imaging and functional biomarkers would have fundamental consequences on the public health impact of the disease. In this work, we show results on the predictability of ADHD using imaging biomarkers and discuss the scientific and diagnostic impacts of the research. We created a prediction model using the landmark ADHD 200 data set focusing on resting state functional connectivity (rs-fc) and structural brain imaging. We predicted ADHD status and subtype, obtained by behavioral examination, using imaging data, intelligence quotients and other covariates. The novel contributions of this manuscript include a thorough exploration of prediction and image feature extraction methodology on this form of data, including the use of singular value decompositions (SVDs), CUR decompositions, random forest, gradient boosting, bagging, voxel-based morphometry, and support vector machines as well as important insights into the value, and potentially lack thereof, of imaging biomarkers of disease. The key results include the CUR-based decomposition of the rs-fc-fMRI along with gradient boosting and the prediction algorithm based on a motor network parcellation and random forest algorithm. We conjecture that the CUR decomposition is largely diagnosing common population directions of head motion. Of note, a byproduct of this research is a potential automated method for detecting subtle in-scanner motion. The final prediction algorithm, a weighted combination of several algorithms, had an external test set specificity of 94% with sensitivity of 21%. The most promising imaging biomarker was a correlation graph from a motor network parcellation. In summary, we have undertaken a large-scale statistical exploratory prediction exercise on the unique ADHD 200 data set. The exercise produced several potential leads for future scientific exploration of the neurological basis of ADHD. PMID:22969709

Inverse estimation of the spheroidal particle size distribution using Ant Colony Optimization algorithms in multispectral extinction technique

NASA Astrophysics Data System (ADS)

He, Zhenzong; Qi, Hong; Wang, Yuqing; Ruan, Liming

2014-10-01

Four improved Ant Colony Optimization (ACO) algorithms, i.e. the probability density function based ACO (PDF-ACO) algorithm, the Region ACO (RACO) algorithm, Stochastic ACO (SACO) algorithm and Homogeneous ACO (HACO) algorithm, are employed to estimate the particle size distribution (PSD) of the spheroidal particles. The direct problems are solved by the extended Anomalous Diffraction Approximation (ADA) and the Lambert-Beer law. Three commonly used monomodal distribution functions i.e. the Rosin-Rammer (R-R) distribution function, the normal (N-N) distribution function, and the logarithmic normal (L-N) distribution function are estimated under dependent model. The influence of random measurement errors on the inverse results is also investigated. All the results reveal that the PDF-ACO algorithm is more accurate than the other three ACO algorithms and can be used as an effective technique to investigate the PSD of the spheroidal particles. Furthermore, the Johnson's SB (J-SB) function and the modified beta (M-β) function are employed as the general distribution functions to retrieve the PSD of spheroidal particles using PDF-ACO algorithm. The investigation shows a reasonable agreement between the original distribution function and the general distribution function when only considering the variety of the length of the rotational semi-axis.

Distributed Optimal Consensus Control for Multiagent Systems With Input Delay.

PubMed

Zhang, Huaipin; Yue, Dong; Zhao, Wei; Hu, Songlin; Dou, Chunxia; Huaipin Zhang; Dong Yue; Wei Zhao; Songlin Hu; Chunxia Dou; Hu, Songlin; Zhang, Huaipin; Dou, Chunxia; Yue, Dong; Zhao, Wei

2018-06-01

This paper addresses the problem of distributed optimal consensus control for a continuous-time heterogeneous linear multiagent system subject to time varying input delays. First, by discretization and model transformation, the continuous-time input-delayed system is converted into a discrete-time delay-free system. Two delicate performance index functions are defined for these two systems. It is shown that the performance index functions are equivalent and the optimal consensus control problem of the input-delayed system can be cast into that of the delay-free system. Second, by virtue of the Hamilton-Jacobi-Bellman (HJB) equations, an optimal control policy for each agent is designed based on the delay-free system and a novel value iteration algorithm is proposed to learn the solutions to the HJB equations online. The proposed adaptive dynamic programming algorithm is implemented on the basis of a critic-action neural network (NN) structure. Third, it is proved that local consensus errors of the two systems and weight estimation errors of the critic-action NNs are uniformly ultimately bounded while the approximated control policies converge to their target values. Finally, two simulation examples are presented to illustrate the effectiveness of the developed method.

The role of image registration in brain mapping

PubMed Central

Toga, A.W.; Thompson, P.M.

2008-01-01

Image registration is a key step in a great variety of biomedical imaging applications. It provides the ability to geometrically align one dataset with another, and is a prerequisite for all imaging applications that compare datasets across subjects, imaging modalities, or across time. Registration algorithms also enable the pooling and comparison of experimental findings across laboratories, the construction of population-based brain atlases, and the creation of systems to detect group patterns in structural and functional imaging data. We review the major types of registration approaches used in brain imaging today. We focus on their conceptual basis, the underlying mathematics, and their strengths and weaknesses in different contexts. We describe the major goals of registration, including data fusion, quantification of change, automated image segmentation and labeling, shape measurement, and pathology detection. We indicate that registration algorithms have great potential when used in conjunction with a digital brain atlas, which acts as a reference system in which brain images can be compared for statistical analysis. The resulting armory of registration approaches is fundamental to medical image analysis, and in a brain mapping context provides a means to elucidate clinical, demographic, or functional trends in the anatomy or physiology of the brain. PMID:19890483

Approximate Quantum Dynamics using Ab Initio Classical Separable Potentials: Spectroscopic Applications.

PubMed

Hirshberg, Barak; Sagiv, Lior; Gerber, R Benny

2017-03-14

Algorithms for quantum molecular dynamics simulations that directly use ab initio methods have many potential applications. In this article, the ab initio classical separable potentials (AICSP) method is proposed as the basis for approximate algorithms of this type. The AICSP method assumes separability of the total time-dependent wave function of the nuclei and employs mean-field potentials that govern the dynamics of each degree of freedom. In the proposed approach, the mean-field potentials are determined by classical ab initio molecular dynamics simulations. The nuclear wave function can thus be propagated in time using the effective potentials generated "on the fly". As a test of the method for realistic systems, calculations of the stationary anharmonic frequencies of hydrogen stretching modes were carried out for several polyatomic systems, including three amino acids and the guanine-cytosine pair of nucleobases. Good agreement with experiments was found. The method scales very favorably with the number of vibrational modes and should be applicable for very large molecules, e.g., peptides. The method should also be applicable for properties such as vibrational line widths and line shapes. Work in these directions is underway.

Gaussian Process Regression (GPR) Representation in Predictive Model Markup Language (PMML)

PubMed Central

Lechevalier, D.; Ak, R.; Ferguson, M.; Law, K. H.; Lee, Y.-T. T.; Rachuri, S.

2017-01-01

This paper describes Gaussian process regression (GPR) models presented in predictive model markup language (PMML). PMML is an extensible-markup-language (XML) -based standard language used to represent data-mining and predictive analytic models, as well as pre- and post-processed data. The previous PMML version, PMML 4.2, did not provide capabilities for representing probabilistic (stochastic) machine-learning algorithms that are widely used for constructing predictive models taking the associated uncertainties into consideration. The newly released PMML version 4.3, which includes the GPR model, provides new features: confidence bounds and distribution for the predictive estimations. Both features are needed to establish the foundation for uncertainty quantification analysis. Among various probabilistic machine-learning algorithms, GPR has been widely used for approximating a target function because of its capability of representing complex input and output relationships without predefining a set of basis functions, and predicting a target output with uncertainty quantification. GPR is being employed to various manufacturing data-analytics applications, which necessitates representing this model in a standardized form for easy and rapid employment. In this paper, we present a GPR model and its representation in PMML. Furthermore, we demonstrate a prototype using a real data set in the manufacturing domain. PMID:29202125

Gaussian Process Regression (GPR) Representation in Predictive Model Markup Language (PMML).

PubMed

Park, J; Lechevalier, D; Ak, R; Ferguson, M; Law, K H; Lee, Y-T T; Rachuri, S

2017-01-01

This paper describes Gaussian process regression (GPR) models presented in predictive model markup language (PMML). PMML is an extensible-markup-language (XML) -based standard language used to represent data-mining and predictive analytic models, as well as pre- and post-processed data. The previous PMML version, PMML 4.2, did not provide capabilities for representing probabilistic (stochastic) machine-learning algorithms that are widely used for constructing predictive models taking the associated uncertainties into consideration. The newly released PMML version 4.3, which includes the GPR model, provides new features: confidence bounds and distribution for the predictive estimations. Both features are needed to establish the foundation for uncertainty quantification analysis. Among various probabilistic machine-learning algorithms, GPR has been widely used for approximating a target function because of its capability of representing complex input and output relationships without predefining a set of basis functions, and predicting a target output with uncertainty quantification. GPR is being employed to various manufacturing data-analytics applications, which necessitates representing this model in a standardized form for easy and rapid employment. In this paper, we present a GPR model and its representation in PMML. Furthermore, we demonstrate a prototype using a real data set in the manufacturing domain.

Autonomous underwater vehicle adaptive path planning for target classification

NASA Astrophysics Data System (ADS)

Edwards, Joseph R.; Schmidt, Henrik

2002-11-01

Autonomous underwater vehicles (AUVs) are being rapidly developed to carry sensors into the sea in ways that have previously not been possible. The full use of the vehicles, however, is still not near realization due to lack of the true vehicle autonomy that is promised in the label (AUV). AUVs today primarily attempt to follow as closely as possible a preplanned trajectory. The key to increasing the autonomy of the AUV is to provide the vehicle with a means to make decisions based on its sensor receptions. The current work examines the use of active sonar returns from mine-like objects (MLOs) as a basis for sensor-based adaptive path planning, where the path planning objective is to discriminate between real mines and rocks. Once a target is detected in the mine hunting phase, the mine classification phase is initialized with a derivative cost function to emphasize signal differences and enhance classification capability. The AUV moves adaptively to minimize the cost function. The algorithm is verified using at-sea data derived from the joint MIT/SACLANTCEN GOATS experiments and advanced acoustic simulation using SEALAB. The mission oriented operating system (MOOS) real-time simulator is then used to test the onboard implementation of the algorithm.

Estimation of Blood Flow Rates in Large Microvascular Networks

PubMed Central

Fry, Brendan C.; Lee, Jack; Smith, Nicolas P.; Secomb, Timothy W.

2012-01-01

Objective Recent methods for imaging microvascular structures provide geometrical data on networks containing thousands of segments. Prediction of functional properties, such as solute transport, requires information on blood flow rates also, but experimental measurement of many individual flows is difficult. Here, a method is presented for estimating flow rates in a microvascular network based on incomplete information on the flows in the boundary segments that feed and drain the network. Methods With incomplete boundary data, the equations governing blood flow form an underdetermined linear system. An algorithm was developed that uses independent information about the distribution of wall shear stresses and pressures in microvessels to resolve this indeterminacy, by minimizing the deviation of pressures and wall shear stresses from target values. Results The algorithm was tested using previously obtained experimental flow data from four microvascular networks in the rat mesentery. With two or three prescribed boundary conditions, predicted flows showed relatively small errors in most segments and fewer than 10% incorrect flow directions on average. Conclusions The proposed method can be used to estimate flow rates in microvascular networks, based on incomplete boundary data and provides a basis for deducing functional properties of microvessel networks. PMID:22506980

Creating an anthropomorphic digital MR phantom—an extensible tool for comparing and evaluating quantitative imaging algorithms

NASA Astrophysics Data System (ADS)

Bosca, Ryan J.; Jackson, Edward F.

2016-01-01

Assessing and mitigating the various sources of bias and variance associated with image quantification algorithms is essential to the use of such algorithms in clinical research and practice. Assessment is usually accomplished with grid-based digital reference objects (DRO) or, more recently, digital anthropomorphic phantoms based on normal human anatomy. Publicly available digital anthropomorphic phantoms can provide a basis for generating realistic model-based DROs that incorporate the heterogeneity commonly found in pathology. Using a publicly available vascular input function (VIF) and digital anthropomorphic phantom of a normal human brain, a methodology was developed to generate a DRO based on the general kinetic model (GKM) that represented realistic and heterogeneously enhancing pathology. GKM parameters were estimated from a deidentified clinical dynamic contrast-enhanced (DCE) MRI exam. This clinical imaging volume was co-registered with a discrete tissue model, and model parameters estimated from clinical images were used to synthesize a DCE-MRI exam that consisted of normal brain tissues and a heterogeneously enhancing brain tumor. An example application of spatial smoothing was used to illustrate potential applications in assessing quantitative imaging algorithms. A voxel-wise Bland-Altman analysis demonstrated negligible differences between the parameters estimated with and without spatial smoothing (using a small radius Gaussian kernel). In this work, we reported an extensible methodology for generating model-based anthropomorphic DROs containing normal and pathological tissue that can be used to assess quantitative imaging algorithms.

Learning a single-hidden layer feedforward neural network using a rank correlation-based strategy with application to high dimensional gene expression and proteomic spectra datasets in cancer detection.

PubMed

Belciug, Smaranda; Gorunescu, Florin

2018-06-08

Methods based on microarrays (MA), mass spectrometry (MS), and machine learning (ML) algorithms have evolved rapidly in recent years, allowing for early detection of several types of cancer. A pitfall of these approaches, however, is the overfitting of data due to large number of attributes and small number of instances -- a phenomenon known as the 'curse of dimensionality'. A potentially fruitful idea to avoid this drawback is to develop algorithms that combine fast computation with a filtering module for the attributes. The goal of this paper is to propose a statistical strategy to initiate the hidden nodes of a single-hidden layer feedforward neural network (SLFN) by using both the knowledge embedded in data and a filtering mechanism for attribute relevance. In order to attest its feasibility, the proposed model has been tested on five publicly available high-dimensional datasets: breast, lung, colon, and ovarian cancer regarding gene expression and proteomic spectra provided by cDNA arrays, DNA microarray, and MS. The novel algorithm, called adaptive SLFN (aSLFN), has been compared with four major classification algorithms: traditional ELM, radial basis function network (RBF), single-hidden layer feedforward neural network trained by backpropagation algorithm (BP-SLFN), and support vector-machine (SVM). Experimental results showed that the classification performance of aSLFN is competitive with the comparison models. Copyright © 2018. Published by Elsevier Inc.

iQIST v0.7: An open source continuous-time quantum Monte Carlo impurity solver toolkit

NASA Astrophysics Data System (ADS)

Huang, Li

2017-12-01

In this paper, we present a new version of the iQIST software package, which is capable of solving various quantum impurity models by using the hybridization expansion (or strong coupling expansion) continuous-time quantum Monte Carlo algorithm. In the revised version, the software architecture is completely redesigned. New basis (intermediate representation or singular value decomposition representation) for the single-particle and two-particle Green's functions is introduced. A lot of useful physical observables are added, such as the charge susceptibility, fidelity susceptibility, Binder cumulant, and autocorrelation time. Especially, we optimize measurement for the two-particle Green's functions. Both the particle-hole and particle-particle channels are supported. In addition, the block structure of the two-particle Green's functions is exploited to accelerate the calculation. Finally, we fix some known bugs and limitations. The computational efficiency of the code is greatly enhanced.

Validation of MODIS Dust Aerosol Retrieval and Development Ambient Dust Phase Function using PRIDE Data

NASA Technical Reports Server (NTRS)

Remer, Lorraine A.; Lau, William (Technical Monitor)

2002-01-01

The PRIDE data set of MODIS aerosol retrievals co-located with sunphotometer measurements provides the basis of MODIS validation in a dust environment. The sunphotometer measurements include AERONET automatic instruments, land-based Microtops instruments, ship-board Microtops instruments and the AATS-6 aboard the Navajo aircraft. Analysis of these data indicate that the MODIS retrieval is within pre-launch estimates of uncertainty within the spectral range of 600-900 nm. However, the MODIS algorithm consistently retrieves smaller particles than reality thus leading to incorrect spectral response outside of the 600-900 nm range and improper size information. Further analysis of MODIS retrievals in other dust environments shows the inconsistencies are due to nonspherical effects in the phase function. These data are used to develop an ambient phase function for dust aerosol to be used for remote sensing purposes.

Functional abdominal pain syndrome.

PubMed

Clouse, Ray E; Mayer, Emeran A; Aziz, Qasim; Drossman, Douglas A; Dumitrascu, Dan L; Mönnikes, Hubert; Naliboff, Bruce D

2006-04-01

Functional abdominal pain syndrome (FAPS) differs from the other functional bowel disorders; it is less common, symptoms largely are unrelated to food intake and defecation, and it has higher comorbidity with psychiatric disorders. The etiology and pathophysiology are incompletely understood. Because FAPS likely represents a heterogeneous group of disorders, peripheral neuropathic pain mechanisms, alterations in endogenous pain modulation systems, or both may be involved in any one patient. The diagnosis of FAPS is made on the basis of positive symptom criteria and a longstanding history of symptoms; in the absence of alarm symptoms, an extensive diagnostic evaluation is not required. Management is based on a therapeutic physician-patient relationship and empirical treatment algorithms using various classes of centrally acting drugs, including antidepressants and anticonvulsants. The choice, dose, and combination of drugs are influenced by psychiatric comorbidities. Psychological treatment options include psychotherapy, relaxation techniques, and hypnosis. Refractory FAPS patients may benefit from a multidisciplinary pain clinic approach.

Optimized face recognition algorithm using radial basis function neural networks and its practical applications.

PubMed

Yoo, Sung-Hoon; Oh, Sung-Kwun; Pedrycz, Witold

2015-09-01

In this study, we propose a hybrid method of face recognition by using face region information extracted from the detected face region. In the preprocessing part, we develop a hybrid approach based on the Active Shape Model (ASM) and the Principal Component Analysis (PCA) algorithm. At this step, we use a CCD (Charge Coupled Device) camera to acquire a facial image by using AdaBoost and then Histogram Equalization (HE) is employed to improve the quality of the image. ASM extracts the face contour and image shape to produce a personal profile. Then we use a PCA method to reduce dimensionality of face images. In the recognition part, we consider the improved Radial Basis Function Neural Networks (RBF NNs) to identify a unique pattern associated with each person. The proposed RBF NN architecture consists of three functional modules realizing the condition phase, the conclusion phase, and the inference phase completed with the help of fuzzy rules coming in the standard 'if-then' format. In the formation of the condition part of the fuzzy rules, the input space is partitioned with the use of Fuzzy C-Means (FCM) clustering. In the conclusion part of the fuzzy rules, the connections (weights) of the RBF NNs are represented by four kinds of polynomials such as constant, linear, quadratic, and reduced quadratic. The values of the coefficients are determined by running a gradient descent method. The output of the RBF NNs model is obtained by running a fuzzy inference method. The essential design parameters of the network (including learning rate, momentum coefficient and fuzzification coefficient used by the FCM) are optimized by means of Differential Evolution (DE). The proposed P-RBF NNs (Polynomial based RBF NNs) are applied to facial recognition and its performance is quantified from the viewpoint of the output performance and recognition rate. Copyright © 2015 Elsevier Ltd. All rights reserved.

Separation of the global and local components in functional near-infrared spectroscopy signals using principal component spatial filtering

PubMed Central

Zhang, Xian; Noah, Jack Adam; Hirsch, Joy

2016-01-01

Abstract. Global systemic effects not specific to a task can be prominent in functional near-infrared spectroscopy (fNIRS) signals and the separation of task-specific fNIRS signals and global nonspecific effects is challenging due to waveform correlations. We describe a principal component spatial filter algorithm for separation of the global and local effects. The effectiveness of the approach is demonstrated using fNIRS signals acquired during a right finger-thumb tapping task where the response patterns are well established. Both the temporal waveforms and the spatial pattern consistencies between oxyhemoglobin and deoxyhemoglobin signals are significantly improved, consistent with the basic physiological basis of fNIRS signals and the expected pattern of activity associated with the task. PMID:26866047

The optimal design of UAV wing structure

NASA Astrophysics Data System (ADS)

Długosz, Adam; Klimek, Wiktor

2018-01-01

The paper presents an optimal design of UAV wing, made of composite materials. The aim of the optimization is to improve strength and stiffness together with reduction of the weight of the structure. Three different types of functionals, which depend on stress, stiffness and the total mass are defined. The paper presents an application of the in-house implementation of the evolutionary multi-objective algorithm in optimization of the UAV wing structure. Values of the functionals are calculated on the basis of results obtained from numerical simulations. Numerical FEM model, consisting of different composite materials is created. Adequacy of the numerical model is verified by results obtained from the experiment, performed on a tensile testing machine. Examples of multi-objective optimization by means of Pareto-optimal set of solutions are presented.

Attractive electron-electron interactions within robust local fitting approximations.

PubMed

Merlot, Patrick; Kjærgaard, Thomas; Helgaker, Trygve; Lindh, Roland; Aquilante, Francesco; Reine, Simen; Pedersen, Thomas Bondo

2013-06-30

An analysis of Dunlap's robust fitting approach reveals that the resulting two-electron integral matrix is not manifestly positive semidefinite when local fitting domains or non-Coulomb fitting metrics are used. We present a highly local approximate method for evaluating four-center two-electron integrals based on the resolution-of-the-identity (RI) approximation and apply it to the construction of the Coulomb and exchange contributions to the Fock matrix. In this pair-atomic resolution-of-the-identity (PARI) approach, atomic-orbital (AO) products are expanded in auxiliary functions centered on the two atoms associated with each product. Numerical tests indicate that in 1% or less of all Hartree-Fock and Kohn-Sham calculations, the indefinite integral matrix causes nonconvergence in the self-consistent-field iterations. In these cases, the two-electron contribution to the total energy becomes negative, meaning that the electronic interaction is effectively attractive, and the total energy is dramatically lower than that obtained with exact integrals. In the vast majority of our test cases, however, the indefiniteness does not interfere with convergence. The total energy accuracy is comparable to that of the standard Coulomb-metric RI method. The speed-up compared with conventional algorithms is similar to the RI method for Coulomb contributions; exchange contributions are accelerated by a factor of up to eight with a triple-zeta quality basis set. A positive semidefinite integral matrix is recovered within PARI by introducing local auxiliary basis functions spanning the full AO product space, as may be achieved by using Cholesky-decomposition techniques. Local completion, however, slows down the algorithm to a level comparable with or below conventional calculations. Copyright © 2013 Wiley Periodicals, Inc.

PID-controller with predictor and auto-tuning algorithm: study of efficiency for thermal plants

NASA Astrophysics Data System (ADS)

Kuzishchin, V. F.; Merzlikina, E. I.; Hoang, Van Va

2017-09-01

The problem of efficiency estimation of an automatic control system (ACS) with a Smith predictor and PID-algorithm for thermal plants is considered. In order to use the predictor, it is proposed to include an auto-tuning module (ATC) into the controller; the module calculates parameters for a second-order plant module with a time delay. The study was conducted using programmable logical controllers (PLC), one of which performed control, ATC, and predictor functions. A simulation model was used as a control plant, and there were two variants of the model: one of them was built on the basis of a separate PLC, and the other was a physical model of a thermal plant in the form of an electrical heater. Analysis of the efficiency of the ACS with the predictor was carried out for several variants of the second order plant model with time delay, and the analysis was performed on the basis of the comparison of transient processes in the system when the set point was changed and when a disturbance influenced the control plant. The recommendations are given on correction of the PID-algorithm parameters when the predictor is used by means of using the correcting coefficient k for the PID parameters. It is shown that, when the set point is changed, the use of the predictor is effective taking into account the parameters correction with k = 2. When the disturbances influence the plant, the use of the predictor is doubtful, because the transient process is too long. The reason for this is that, in the neighborhood of the zero frequency, the amplitude-frequency characteristic (AFC) of the system with the predictor has an ascent in comparison with the AFC of the system without the predictor.

Influence Function Learning in Information Diffusion Networks

PubMed Central

Du, Nan; Liang, Yingyu; Balcan, Maria-Florina; Song, Le

2015-01-01

Can we learn the influence of a set of people in a social network from cascades of information diffusion? This question is often addressed by a two-stage approach: first learn a diffusion model, and then calculate the influence based on the learned model. Thus, the success of this approach relies heavily on the correctness of the diffusion model which is hard to verify for real world data. In this paper, we exploit the insight that the influence functions in many diffusion models are coverage functions, and propose a novel parameterization of such functions using a convex combination of random basis functions. Moreover, we propose an efficient maximum likelihood based algorithm to learn such functions directly from cascade data, and hence bypass the need to specify a particular diffusion model in advance. We provide both theoretical and empirical analysis for our approach, showing that the proposed approach can provably learn the influence function with low sample complexity, be robust to the unknown diffusion models, and significantly outperform existing approaches in both synthetic and real world data. PMID:25973445

Analytical-Based Partial Volume Recovery in Mouse Heart Imaging

NASA Astrophysics Data System (ADS)

Dumouchel, Tyler; deKemp, Robert A.

2011-02-01

Positron emission tomography (PET) is a powerful imaging modality that has the ability to yield quantitative images of tracer activity. Physical phenomena such as photon scatter, photon attenuation, random coincidences and spatial resolution limit quantification potential and must be corrected to preserve the accuracy of reconstructed images. This study focuses on correcting the partial volume effects that arise in mouse heart imaging when resolution is insufficient to resolve the true tracer distribution in the myocardium. The correction algorithm is based on fitting 1D profiles through the myocardium in gated PET images to derive myocardial contours along with blood, background and myocardial activity. This information is interpolated onto a 2D grid and convolved with the tomograph's point spread function to derive regional recovery coefficients enabling partial volume correction. The point spread function was measured by placing a line source inside a small animal PET scanner. PET simulations were created based on noise properties measured from a reconstructed PET image and on the digital MOBY phantom. The algorithm can estimate the myocardial activity to within 5% of the truth when different wall thicknesses, backgrounds and noise properties are encountered that are typical of healthy FDG mouse scans. The method also significantly improves partial volume recovery in simulated infarcted tissue. The algorithm offers a practical solution to the partial volume problem without the need for co-registered anatomic images and offers a basis for improved quantitative 3D heart imaging.

Linear genetic programming application for successive-station monthly streamflow prediction

NASA Astrophysics Data System (ADS)

Danandeh Mehr, Ali; Kahya, Ercan; Yerdelen, Cahit

2014-09-01

In recent decades, artificial intelligence (AI) techniques have been pronounced as a branch of computer science to model wide range of hydrological phenomena. A number of researches have been still comparing these techniques in order to find more effective approaches in terms of accuracy and applicability. In this study, we examined the ability of linear genetic programming (LGP) technique to model successive-station monthly streamflow process, as an applied alternative for streamflow prediction. A comparative efficiency study between LGP and three different artificial neural network algorithms, namely feed forward back propagation (FFBP), generalized regression neural networks (GRNN), and radial basis function (RBF), has also been presented in this study. For this aim, firstly, we put forward six different successive-station monthly streamflow prediction scenarios subjected to training by LGP and FFBP using the field data recorded at two gauging stations on Çoruh River, Turkey. Based on Nash-Sutcliffe and root mean squared error measures, we then compared the efficiency of these techniques and selected the best prediction scenario. Eventually, GRNN and RBF algorithms were utilized to restructure the selected scenario and to compare with corresponding FFBP and LGP. Our results indicated the promising role of LGP for successive-station monthly streamflow prediction providing more accurate results than those of all the ANN algorithms. We found an explicit LGP-based expression evolved by only the basic arithmetic functions as the best prediction model for the river, which uses the records of the both target and upstream stations.

A Stochastic Inversion Method for Potential Field Data: Ant Colony Optimization

NASA Astrophysics Data System (ADS)

Liu, Shuang; Hu, Xiangyun; Liu, Tianyou

2014-07-01

Simulating natural ants' foraging behavior, the ant colony optimization (ACO) algorithm performs excellently in combinational optimization problems, for example the traveling salesman problem and the quadratic assignment problem. However, the ACO is seldom used to inverted for gravitational and magnetic data. On the basis of the continuous and multi-dimensional objective function for potential field data optimization inversion, we present the node partition strategy ACO (NP-ACO) algorithm for inversion of model variables of fixed shape and recovery of physical property distributions of complicated shape models. We divide the continuous variables into discrete nodes and ants directionally tour the nodes by use of transition probabilities. We update the pheromone trails by use of Gaussian mapping between the objective function value and the quantity of pheromone. It can analyze the search results in real time and promote the rate of convergence and precision of inversion. Traditional mapping, including the ant-cycle system, weaken the differences between ant individuals and lead to premature convergence. We tested our method by use of synthetic data and real data from scenarios involving gravity and magnetic anomalies. The inverted model variables and recovered physical property distributions were in good agreement with the true values. The ACO algorithm for binary representation imaging and full imaging can recover sharper physical property distributions than traditional linear inversion methods. The ACO has good optimization capability and some excellent characteristics, for example robustness, parallel implementation, and portability, compared with other stochastic metaheuristics.

Enhancements to AERMOD’s Building Downwash Algorithms based on Wind Tunnel and Embedded-LES Modeling

EPA Science Inventory

This presentation presents three modifications to the building downwash algorithm in AERMOD that improve the physical basis and internal consistency of the model, and one modification to AERMOD’s building pre-processor to better represent elongated buildings in oblique wind...

SU-E-T-422: Fast Analytical Beamlet Optimization for Volumetric Intensity-Modulated Arc Therapy

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

Chan, Kenny S K; Lee, Louis K Y; Xing, L

2015-06-15

Purpose: To implement a fast optimization algorithm on CPU/GPU heterogeneous computing platform and to obtain an optimal fluence for a given target dose distribution from the pre-calculated beamlets in an analytical approach. Methods: The 2D target dose distribution was modeled as an n-dimensional vector and estimated by a linear combination of independent basis vectors. The basis set was composed of the pre-calculated beamlet dose distributions at every 6 degrees of gantry angle and the cost function was set as the magnitude square of the vector difference between the target and the estimated dose distribution. The optimal weighting of the basis,more » which corresponds to the optimal fluence, was obtained analytically by the least square method. Those basis vectors with a positive weighting were selected for entering into the next level of optimization. Totally, 7 levels of optimization were implemented in the study.Ten head-and-neck and ten prostate carcinoma cases were selected for the study and mapped to a round water phantom with a diameter of 20cm. The Matlab computation was performed in a heterogeneous programming environment with Intel i7 CPU and NVIDIA Geforce 840M GPU. Results: In all selected cases, the estimated dose distribution was in a good agreement with the given target dose distribution and their correlation coefficients were found to be in the range of 0.9992 to 0.9997. Their root-mean-square error was monotonically decreasing and converging after 7 cycles of optimization. The computation took only about 10 seconds and the optimal fluence maps at each gantry angle throughout an arc were quickly obtained. Conclusion: An analytical approach is derived for finding the optimal fluence for a given target dose distribution and a fast optimization algorithm implemented on the CPU/GPU heterogeneous computing environment greatly reduces the optimization time.« less

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.

A Quasiphysics Intelligent Model for a Long Range Fast Tool Servo

PubMed Central

Liu, Qiang; Zhou, Xiaoqin; Lin, Jieqiong; Xu, Pengzi; Zhu, Zhiwei

2013-01-01

Accurately modeling the dynamic behaviors of fast tool servo (FTS) is one of the key issues in the ultraprecision positioning of the cutting tool. Herein, a quasiphysics intelligent model (QPIM) integrating a linear physics model (LPM) and a radial basis function (RBF) based neural model (NM) is developed to accurately describe the dynamic behaviors of a voice coil motor (VCM) actuated long range fast tool servo (LFTS). To identify the parameters of the LPM, a novel Opposition-based Self-adaptive Replacement Differential Evolution (OSaRDE) algorithm is proposed which has been proved to have a faster convergence mechanism without compromising with the quality of solution and outperform than similar evolution algorithms taken for consideration. The modeling errors of the LPM and the QPIM are investigated by experiments. The modeling error of the LPM presents an obvious trend component which is about ±1.15% of the full span range verifying the efficiency of the proposed OSaRDE algorithm for system identification. As for the QPIM, the trend component in the residual error of LPM can be well suppressed, and the error of the QPIM maintains noise level. All the results verify the efficiency and superiority of the proposed modeling and identification approaches. PMID:24163627

Synthesis of Greedy Algorithms Using Dominance Relations

NASA Technical Reports Server (NTRS)

Nedunuri, Srinivas; Smith, Douglas R.; Cook, William R.

2010-01-01

Greedy algorithms exploit problem structure and constraints to achieve linear-time performance. Yet there is still no completely satisfactory way of constructing greedy algorithms. For example, the Greedy Algorithm of Edmonds depends upon translating a problem into an algebraic structure called a matroid, but the existence of such a translation can be as hard to determine as the existence of a greedy algorithm itself. An alternative characterization of greedy algorithms is in terms of dominance relations, a well-known algorithmic technique used to prune search spaces. We demonstrate a process by which dominance relations can be methodically derived for a number of greedy algorithms, including activity selection, and prefix-free codes. By incorporating our approach into an existing framework for algorithm synthesis, we demonstrate that it could be the basis for an effective engineering method for greedy algorithms. We also compare our approach with other characterizations of greedy algorithms.

Adaptive multiresolution modeling of groundwater flow in heterogeneous porous media

NASA Astrophysics Data System (ADS)

Malenica, Luka; Gotovac, Hrvoje; Srzic, Veljko; Andric, Ivo

2016-04-01

Proposed methodology was originally developed by our scientific team in Split who designed multiresolution approach for analyzing flow and transport processes in highly heterogeneous porous media. The main properties of the adaptive Fup multi-resolution approach are: 1) computational capabilities of Fup basis functions with compact support capable to resolve all spatial and temporal scales, 2) multi-resolution presentation of heterogeneity as well as all other input and output variables, 3) accurate, adaptive and efficient strategy and 4) semi-analytical properties which increase our understanding of usually complex flow and transport processes in porous media. The main computational idea behind this approach is to separately find the minimum number of basis functions and resolution levels necessary to describe each flow and transport variable with the desired accuracy on a particular adaptive grid. Therefore, each variable is separately analyzed, and the adaptive and multi-scale nature of the methodology enables not only computational efficiency and accuracy, but it also describes subsurface processes closely related to their understood physical interpretation. The methodology inherently supports a mesh-free procedure, avoiding the classical numerical integration, and yields continuous velocity and flux fields, which is vitally important for flow and transport simulations. In this paper, we will show recent improvements within the proposed methodology. Since "state of the art" multiresolution approach usually uses method of lines and only spatial adaptive procedure, temporal approximation was rarely considered as a multiscale. Therefore, novel adaptive implicit Fup integration scheme is developed, resolving all time scales within each global time step. It means that algorithm uses smaller time steps only in lines where solution changes are intensive. Application of Fup basis functions enables continuous time approximation, simple interpolation calculations across different temporal lines and local time stepping control. Critical aspect of time integration accuracy is construction of spatial stencil due to accurate calculation of spatial derivatives. Since common approach applied for wavelets and splines uses a finite difference operator, we developed here collocation one including solution values and differential operator. In this way, new improved algorithm is adaptive in space and time enabling accurate solution for groundwater flow problems, especially in highly heterogeneous porous media with large lnK variances and different correlation length scales. In addition, differences between collocation and finite volume approaches are discussed. Finally, results show application of methodology to the groundwater flow problems in highly heterogeneous confined and unconfined aquifers.

Comprehensive analysis of cochlear implant failure: usefulness of clinical symptom-based algorithm combined with in situ integrity testing.

PubMed

Yamazaki, Hiroshi; O'Leary, Stephen; Moran, Michelle; Briggs, Robert

2014-04-01

Accurate diagnosis of cochlear implant failures is important for management; however, appropriate strategies to assess possible device failures are not always clear. The purpose of this study is to understand correlation between causes of device failure and the presenting clinical symptoms as well as results of in situ integrity testing and to propose effective strategies for diagnosis of device failure. Retrospective case review. Cochlear implant center at a tertiary referral hospital. Twenty-seven cases with suspected device failure of Cochlear Nucleus systems (excluding CI512 failures) on the basis of deterioration in auditory perception from January 2000 to September 2012 in the Melbourne cochlear implant clinic. Clinical presentations and types of abnormalities on in situ integrity testing were compared with modes of device failure detected by returned device analysis. Sudden deterioration in auditory perception was always observed in cases with "critical damage": either fracture of the integrated circuit or most or all of the electrode wires. Subacute or gradually progressive deterioration in auditory perception was significantly associated with a more limited number of broken electrode wires. Cochlear implant mediated auditory and nonauditory symptoms were significantly associated with an insulation problem. An algorithm based on the time course of deterioration in auditory perception and cochlear implant-mediated auditory and nonauditory symptoms was developed on the basis of these retrospective analyses, to help predict the mode of device failure. In situ integrity testing, which included close monitoring of device function in routine programming sessions as well as repeating the manufacturer's integrity test battery, was sensitive enough to detect malfunction in all suspected device failures, and each mode of device failure showed a characteristic abnormality on in situ integrity testing. Our clinical manifestation-based algorithm combined with in situ integrity testing may be useful for accurate diagnosis and appropriate management of device failure. Close monitoring of device function in routine programming sessions as well as repeating the manufacturer's integrity test battery is important if the initial in situ integrity testing is inconclusive because objective evidence of failure in the implanted device is essential to recommend explantation/reimplantation.

Operational algorithm development and refinement approaches

NASA Astrophysics Data System (ADS)

Ardanuy, Philip E.

2003-11-01

Next-generation polar and geostationary systems, such as the National Polar-orbiting Operational Environmental Satellite System (NPOESS) and the Geostationary Operational Environmental Satellite (GOES)-R, will deploy new generations of electro-optical reflective and emissive capabilities. These will include low-radiometric-noise, improved spatial resolution multi-spectral and hyperspectral imagers and sounders. To achieve specified performances (e.g., measurement accuracy, precision, uncertainty, and stability), and best utilize the advanced space-borne sensing capabilities, a new generation of retrieval algorithms will be implemented. In most cases, these advanced algorithms benefit from ongoing testing and validation using heritage research mission algorithms and data [e.g., the Earth Observing System (EOS)] Moderate-resolution Imaging Spectroradiometer (MODIS) and Shuttle Ozone Limb Scattering Experiment (SOLSE)/Limb Ozone Retreival Experiment (LORE). In these instances, an algorithm's theoretical basis is not static, but rather improves with time. Once frozen, an operational algorithm can "lose ground" relative to research analogs. Cost/benefit analyses provide a basis for change management. The challenge is in reconciling and balancing the stability, and "comfort," that today"s generation of operational platforms provide (well-characterized, known, sensors and algorithms) with the greatly improved quality, opportunities, and risks, that the next generation of operational sensors and algorithms offer. By using the best practices and lessons learned from heritage/groundbreaking activities, it is possible to implement an agile process that enables change, while managing change. This approach combines a "known-risk" frozen baseline with preset completion schedules with insertion opportunities for algorithm advances as ongoing validation activities identify and repair areas of weak performance. This paper describes an objective, adaptive implementation roadmap that takes into account the specific maturities of each system"s (sensor and algorithm) technology to provide for a program that contains continuous improvement while retaining its manageability.

Mathematical model and coordination algorithms for ensuring complex security of an organization

NASA Astrophysics Data System (ADS)

Novoseltsev, V. I.; Orlova, D. E.; Dubrovin, A. S.; Irkhin, V. P.

2018-03-01

The mathematical model of coordination when ensuring complex security of the organization is considered. On the basis of use of a method of casual search three types of algorithms of effective coordination adequate to mismatch level concerning security are developed: a coordination algorithm at domination of instructions of the coordinator; a coordination algorithm at domination of decisions of performers; a coordination algorithm at parity of interests of the coordinator and performers. Assessment of convergence of the algorithms considered above it was made by carrying out a computing experiment. The described algorithms of coordination have property of convergence in the sense stated above. And, the following regularity is revealed: than more simply in the structural relation the algorithm, for the smaller number of iterations is provided to those its convergence.