Accelerating molecular property calculations with nonorthonormal Krylov space methods

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

Furche, Filipp; Krull, Brandon T.; Nguyen, Brian D.

Here, we formulate Krylov space methods for large eigenvalue problems and linear equation systems that take advantage of decreasing residual norms to reduce the cost of matrix-vector multiplication. The residuals are used as subspace basis without prior orthonormalization, which leads to generalized eigenvalue problems or linear equation systems on the Krylov space. These nonorthonormal Krylov space (nKs) algorithms are favorable for large matrices with irregular sparsity patterns whose elements are computed on the fly, because fewer operations are necessary as the residual norm decreases as compared to the conventional method, while errors in the desired eigenpairs and solution vectors remainmore » small. We consider real symmetric and symplectic eigenvalue problems as well as linear equation systems and Sylvester equations as they appear in configuration interaction and response theory. The nKs method can be implemented in existing electronic structure codes with minor modifications and yields speed-ups of 1.2-1.8 in typical time-dependent Hartree-Fock and density functional applications without accuracy loss. The algorithm can compute entire linear subspaces simultaneously which benefits electronic spectra and force constant calculations requiring many eigenpairs or solution vectors. The nKs approach is related to difference density methods in electronic ground state calculations, and particularly efficient for integral direct computations of exchange-type contractions. By combination with resolution-of-the-identity methods for Coulomb contractions, three- to fivefold speed-ups of hybrid time-dependent density functional excited state and response calculations are achieved.« less

Accelerating molecular property calculations with nonorthonormal Krylov space methods

DOE PAGES

Furche, Filipp; Krull, Brandon T.; Nguyen, Brian D.; ...

2016-05-03

Here, we formulate Krylov space methods for large eigenvalue problems and linear equation systems that take advantage of decreasing residual norms to reduce the cost of matrix-vector multiplication. The residuals are used as subspace basis without prior orthonormalization, which leads to generalized eigenvalue problems or linear equation systems on the Krylov space. These nonorthonormal Krylov space (nKs) algorithms are favorable for large matrices with irregular sparsity patterns whose elements are computed on the fly, because fewer operations are necessary as the residual norm decreases as compared to the conventional method, while errors in the desired eigenpairs and solution vectors remainmore » small. We consider real symmetric and symplectic eigenvalue problems as well as linear equation systems and Sylvester equations as they appear in configuration interaction and response theory. The nKs method can be implemented in existing electronic structure codes with minor modifications and yields speed-ups of 1.2-1.8 in typical time-dependent Hartree-Fock and density functional applications without accuracy loss. The algorithm can compute entire linear subspaces simultaneously which benefits electronic spectra and force constant calculations requiring many eigenpairs or solution vectors. The nKs approach is related to difference density methods in electronic ground state calculations, and particularly efficient for integral direct computations of exchange-type contractions. By combination with resolution-of-the-identity methods for Coulomb contractions, three- to fivefold speed-ups of hybrid time-dependent density functional excited state and response calculations are achieved.« less

Controller reduction by preserving impulse response energy

NASA Technical Reports Server (NTRS)

Craig, Roy R., Jr.; Su, Tzu-Jeng

1989-01-01

A model order reduction algorithm based on a Krylov recurrence formulation is developed to reduce order of controllers. The reduced-order controller is obtained by projecting the full-order LQG controller onto a Krylov subspace in which either the controllability or the observability grammian is equal to the identity matrix. The reduced-order controller preserves the impulse response energy of the full-order controller and has a parameter-matching property. Two numerical examples drawn from other controller reduction literature are used to illustrate the efficacy of the proposed reduction algorithm.

On optimal improvements of classical iterative schemes for Z-matrices

NASA Astrophysics Data System (ADS)

Noutsos, D.; Tzoumas, M.

2006-04-01

Many researchers have considered preconditioners, applied to linear systems, whose matrix coefficient is a Z- or an M-matrix, that make the associated Jacobi and Gauss-Seidel methods converge asymptotically faster than the unpreconditioned ones. Such preconditioners are chosen so that they eliminate the off-diagonal elements of the same column or the elements of the first upper diagonal [Milaszewicz, LAA 93 (1987) 161-170], Gunawardena et al. [LAA 154-156 (1991) 123-143]. In this work we generalize the previous preconditioners to obtain optimal methods. "Good" Jacobi and Gauss-Seidel algorithms are given and preconditioners, that eliminate more than one entry per row, are also proposed and analyzed. Moreover, the behavior of the above preconditioners to the Krylov subspace methods is studied.

Tensor-GMRES method for large sparse systems of nonlinear equations

NASA Technical Reports Server (NTRS)

Feng, Dan; Pulliam, Thomas H.

1994-01-01

This paper introduces a tensor-Krylov method, the tensor-GMRES method, for large sparse systems of nonlinear equations. This method is a coupling of tensor model formation and solution techniques for nonlinear equations with Krylov subspace projection techniques for unsymmetric systems of linear equations. Traditional tensor methods for nonlinear equations are based on a quadratic model of the nonlinear function, a standard linear model augmented by a simple second order term. These methods are shown to be significantly more efficient than standard methods both on nonsingular problems and on problems where the Jacobian matrix at the solution is singular. A major disadvantage of the traditional tensor methods is that the solution of the tensor model requires the factorization of the Jacobian matrix, which may not be suitable for problems where the Jacobian matrix is large and has a 'bad' sparsity structure for an efficient factorization. We overcome this difficulty by forming and solving the tensor model using an extension of a Newton-GMRES scheme. Like traditional tensor methods, we show that the new tensor method has significant computational advantages over the analogous Newton counterpart. Consistent with Krylov subspace based methods, the new tensor method does not depend on the factorization of the Jacobian matrix. As a matter of fact, the Jacobian matrix is never needed explicitly.

Reverse time migration by Krylov subspace reduced order modeling

NASA Astrophysics Data System (ADS)

Basir, Hadi Mahdavi; Javaherian, Abdolrahim; Shomali, Zaher Hossein; Firouz-Abadi, Roohollah Dehghani; Gholamy, Shaban Ali

2018-04-01

Imaging is a key step in seismic data processing. To date, a myriad of advanced pre-stack depth migration approaches have been developed; however, reverse time migration (RTM) is still considered as the high-end imaging algorithm. The main limitations associated with the performance cost of reverse time migration are the intensive computation of the forward and backward simulations, time consumption, and memory allocation related to imaging condition. Based on the reduced order modeling, we proposed an algorithm, which can be adapted to all the aforementioned factors. Our proposed method benefit from Krylov subspaces method to compute certain mode shapes of the velocity model computed by as an orthogonal base of reduced order modeling. Reverse time migration by reduced order modeling is helpful concerning the highly parallel computation and strongly reduces the memory requirement of reverse time migration. The synthetic model results showed that suggested method can decrease the computational costs of reverse time migration by several orders of magnitudes, compared with reverse time migration by finite element method.

Solution of nonlinear time-dependent PDEs through componentwise approximation of matrix functions

NASA Astrophysics Data System (ADS)

Cibotarica, Alexandru; Lambers, James V.; Palchak, Elisabeth M.

2016-09-01

Exponential propagation iterative (EPI) methods provide an efficient approach to the solution of large stiff systems of ODEs, compared to standard integrators. However, the bulk of the computational effort in these methods is due to products of matrix functions and vectors, which can become very costly at high resolution due to an increase in the number of Krylov projection steps needed to maintain accuracy. In this paper, it is proposed to modify EPI methods by using Krylov subspace spectral (KSS) methods, instead of standard Krylov projection methods, to compute products of matrix functions and vectors. Numerical experiments demonstrate that this modification causes the number of Krylov projection steps to become bounded independently of the grid size, thus dramatically improving efficiency and scalability. As a result, for each test problem featured, as the total number of grid points increases, the growth in computation time is just below linear, while other methods achieved this only on selected test problems or not at all.

Projection methods for line radiative transfer in spherical media.

NASA Astrophysics Data System (ADS)

Anusha, L. S.; Nagendra, K. N.

An efficient numerical method called the Preconditioned Bi-Conjugate Gradient (Pre-BiCG) method is presented for the solution of radiative transfer equation in spherical geometry. A variant of this method called Stabilized Preconditioned Bi-Conjugate Gradient (Pre-BiCG-STAB) is also presented. These methods are based on projections on the subspaces of the n dimensional Euclidean space mathbb {R}n called Krylov subspaces. The methods are shown to be faster in terms of convergence rate compared to the contemporary iterative methods such as Jacobi, Gauss-Seidel and Successive Over Relaxation (SOR).

Multitrace/singletrace formulations and Domain Decomposition Methods for the solution of Helmholtz transmission problems for bounded composite scatterers

NASA Astrophysics Data System (ADS)

Jerez-Hanckes, Carlos; Pérez-Arancibia, Carlos; Turc, Catalin

2017-12-01

We present Nyström discretizations of multitrace/singletrace formulations and non-overlapping Domain Decomposition Methods (DDM) for the solution of Helmholtz transmission problems for bounded composite scatterers with piecewise constant material properties. We investigate the performance of DDM with both classical Robin and optimized transmission boundary conditions. The optimized transmission boundary conditions incorporate square root Fourier multiplier approximations of Dirichlet to Neumann operators. While the multitrace/singletrace formulations as well as the DDM that use classical Robin transmission conditions are not particularly well suited for Krylov subspace iterative solutions of high-contrast high-frequency Helmholtz transmission problems, we provide ample numerical evidence that DDM with optimized transmission conditions constitute efficient computational alternatives for these type of applications. In the case of large numbers of subdomains with different material properties, we show that the associated DDM linear system can be efficiently solved via hierarchical Schur complements elimination.

Implementation of the block-Krylov boundary flexibility method of component synthesis

NASA Technical Reports Server (NTRS)

Carney, Kelly S.; Abdallah, Ayman A.; Hucklebridge, Arthur A.

1993-01-01

A method of dynamic substructuring is presented which utilizes a set of static Ritz vectors as a replacement for normal eigenvectors in component mode synthesis. This set of Ritz vectors is generated in a recurrence relationship, which has the form of a block-Krylov subspace. The initial seed to the recurrence algorithm is based on the boundary flexibility vectors of the component. This algorithm is not load-dependent, is applicable to both fixed and free-interface boundary components, and results in a general component model appropriate for any type of dynamic analysis. This methodology was implemented in the MSC/NASTRAN normal modes solution sequence using DMAP. The accuracy is found to be comparable to that of component synthesis based upon normal modes. The block-Krylov recurrence algorithm is a series of static solutions and so requires significantly less computation than solving the normal eigenspace problem.

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.

Projection methods for the numerical solution of Markov chain models

NASA Technical Reports Server (NTRS)

Saad, Youcef

1989-01-01

Projection methods for computing stationary probability distributions for Markov chain models are presented. A general projection method is a method which seeks an approximation from a subspace of small dimension to the original problem. Thus, the original matrix problem of size N is approximated by one of dimension m, typically much smaller than N. A particularly successful class of methods based on this principle is that of Krylov subspace methods which utilize subspaces of the form span(v,av,...,A(exp m-1)v). These methods are effective in solving linear systems and eigenvalue problems (Lanczos, Arnoldi,...) as well as nonlinear equations. They can be combined with more traditional iterative methods such as successive overrelaxation, symmetric successive overrelaxation, or with incomplete factorization methods to enhance convergence.

A model reduction approach to numerical inversion for a parabolic partial differential equation

NASA Astrophysics Data System (ADS)

Borcea, Liliana; Druskin, Vladimir; Mamonov, Alexander V.; Zaslavsky, Mikhail

2014-12-01

We propose a novel numerical inversion algorithm for the coefficients of parabolic partial differential equations, based on model reduction. The study is motivated by the application of controlled source electromagnetic exploration, where the unknown is the subsurface electrical resistivity and the data are time resolved surface measurements of the magnetic field. The algorithm presented in this paper considers inversion in one and two dimensions. The reduced model is obtained with rational interpolation in the frequency (Laplace) domain and a rational Krylov subspace projection method. It amounts to a nonlinear mapping from the function space of the unknown resistivity to the small dimensional space of the parameters of the reduced model. We use this mapping as a nonlinear preconditioner for the Gauss-Newton iterative solution of the inverse problem. The advantage of the inversion algorithm is twofold. First, the nonlinear preconditioner resolves most of the nonlinearity of the problem. Thus the iterations are less likely to get stuck in local minima and the convergence is fast. Second, the inversion is computationally efficient because it avoids repeated accurate simulations of the time-domain response. We study the stability of the inversion algorithm for various rational Krylov subspaces, and assess its performance with numerical experiments.

MGMRES: A generalization of GMRES for solving large sparse nonsymmetric linear systems

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

Young, D.M.; Chen, J.Y.

1994-12-31

The authors are concerned with the solution of the linear system (1): Au = b, where A is a real square nonsingular matrix which is large, sparse and non-symmetric. They consider the use of Krylov subspace methods. They first choose an initial approximation u{sup (0)} to the solution {bar u} = A{sup {minus}1}B of (1). They also choose an auxiliary matrix Z which is nonsingular. For n = 1,2,{hor_ellipsis} they determine u{sup (n)} such that u{sup (n)} {minus} u{sup (0)}{epsilon}K{sub n}(r{sup (0)},A) where K{sub n}(r{sup (0)},A) is the (Krylov) subspace spanned by the Krylov vectors r{sup (0)}, Ar{sup (0)}, {hor_ellipsis},more » A{sup n{minus}1}r{sup 0} and where r{sup (0)} = b{minus}Au{sup (0)}. If ZA is SPD they also require that (u{sup (n)}{minus}{bar u}, ZA(u{sup (n)}{minus}{bar u})) be minimized. If, on the other hand, ZA is not SPD, then they require that the Galerkin condition, (Zr{sup n}, v) = 0, be satisfied for all v{epsilon}K{sub n}(r{sup (0)}, A) where r{sup n} = b{minus}Au{sup (n)}. In this paper the authors consider a generalization of GMRES. This generalized method, which they refer to as `MGMRES`, is very similar to GMRES except that they let Z = A{sup T}Y where Y is a nonsingular matrix which is symmetric by not necessarily SPD.« less

Improvements in Block-Krylov Ritz Vectors and the Boundary Flexibility Method of Component Synthesis

NASA Technical Reports Server (NTRS)

Carney, Kelly Scott

1997-01-01

A method of dynamic substructuring is presented which utilizes a set of static Ritz vectors as a replacement for normal eigenvectors in component mode synthesis. This set of Ritz vectors is generated in a recurrence relationship, proposed by Wilson, which has the form of a block-Krylov subspace. The initial seed to the recurrence algorithm is based upon the boundary flexibility vectors of the component. Improvements have been made in the formulation of the initial seed to the Krylov sequence, through the use of block-filtering. A method to shift the Krylov sequence to create Ritz vectors that will represent the dynamic behavior of the component at target frequencies, the target frequency being determined by the applied forcing functions, has been developed. A method to terminate the Krylov sequence has also been developed. Various orthonormalization schemes have been developed and evaluated, including the Cholesky/QR method. Several auxiliary theorems and proofs which illustrate issues in component mode synthesis and loss of orthogonality in the Krylov sequence have also been presented. The resulting methodology is applicable to both fixed and free- interface boundary components, and results in a general component model appropriate for any type of dynamic analysis. The accuracy is found to be comparable to that of component synthesis based upon normal modes, using fewer generalized coordinates. In addition, the block-Krylov recurrence algorithm is a series of static solutions and so requires significantly less computation than solving the normal eigenspace problem. The requirement for less vectors to form the component, coupled with the lower computational expense of calculating these Ritz vectors, combine to create a method more efficient than traditional component mode synthesis.

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

NASA Astrophysics Data System (ADS)

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

2016-09-01

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

A time-domain decomposition iterative method for the solution of distributed linear quadratic optimal control problems

NASA Astrophysics Data System (ADS)

Heinkenschloss, Matthias

2005-01-01

We study a class of time-domain decomposition-based methods for the numerical solution of large-scale linear quadratic optimal control problems. Our methods are based on a multiple shooting reformulation of the linear quadratic optimal control problem as a discrete-time optimal control (DTOC) problem. The optimality conditions for this DTOC problem lead to a linear block tridiagonal system. The diagonal blocks are invertible and are related to the original linear quadratic optimal control problem restricted to smaller time-subintervals. This motivates the application of block Gauss-Seidel (GS)-type methods for the solution of the block tridiagonal systems. Numerical experiments show that the spectral radii of the block GS iteration matrices are larger than one for typical applications, but that the eigenvalues of the iteration matrices decay to zero fast. Hence, while the GS method is not expected to convergence for typical applications, it can be effective as a preconditioner for Krylov-subspace methods. This is confirmed by our numerical tests.A byproduct of this research is the insight that certain instantaneous control techniques can be viewed as the application of one step of the forward block GS method applied to the DTOC optimality system.

Numerical methods in Markov chain modeling

NASA Technical Reports Server (NTRS)

Philippe, Bernard; Saad, Youcef; Stewart, William J.

1989-01-01

Several methods for computing stationary probability distributions of Markov chains are described and compared. The main linear algebra problem consists of computing an eigenvector of a sparse, usually nonsymmetric, matrix associated with a known eigenvalue. It can also be cast as a problem of solving a homogeneous singular linear system. Several methods based on combinations of Krylov subspace techniques are presented. The performance of these methods on some realistic problems are compared.

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

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

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

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

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

DOE PAGES

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

2016-09-01

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

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

Aliaga, José I., E-mail: aliaga@uji.es; Alonso, Pedro; Badía, José M.

We introduce a new iterative Krylov subspace-based eigensolver for the simulation of macromolecular motions on desktop multithreaded platforms equipped with multicore processors and, possibly, a graphics accelerator (GPU). The method consists of two stages, with the original problem first reduced into a simpler band-structured form by means of a high-performance compute-intensive procedure. This is followed by a memory-intensive but low-cost Krylov iteration, which is off-loaded to be computed on the GPU by means of an efficient data-parallel kernel. The experimental results reveal the performance of the new eigensolver. Concretely, when applied to the simulation of macromolecules with a few thousandsmore » degrees of freedom and the number of eigenpairs to be computed is small to moderate, the new solver outperforms other methods implemented as part of high-performance numerical linear algebra packages for multithreaded architectures.« less

Numerical simulations of microwave heating of liquids: enhancements using Krylov subspace methods

NASA Astrophysics Data System (ADS)

Lollchund, M. R.; Dookhitram, K.; Sunhaloo, M. S.; Boojhawon, R.

2013-04-01

In this paper, we compare the performances of three iterative solvers for large sparse linear systems arising in the numerical computations of incompressible Navier-Stokes (NS) equations. These equations are employed mainly in the simulation of microwave heating of liquids. The emphasis of this work is on the application of Krylov projection techniques such as Generalized Minimal Residual (GMRES) to solve the Pressure Poisson Equations that result from discretisation of the NS equations. The performance of the GMRES method is compared with the traditional Gauss-Seidel (GS) and point successive over relaxation (PSOR) techniques through their application to simulate the dynamics of water housed inside a vertical cylindrical vessel which is subjected to microwave radiation. It is found that as the mesh size increases, GMRES gives the fastest convergence rate in terms of computational times and number of iterations.

Exploratory High-Fidelity Aerostructural Optimization Using an Efficient Monolithic Solution Method

NASA Astrophysics Data System (ADS)

Zhang, Jenmy Zimi

This thesis is motivated by the desire to discover fuel efficient aircraft concepts through exploratory design. An optimization methodology based on tightly integrated high-fidelity aerostructural analysis is proposed, which has the flexibility, robustness, and efficiency to contribute to this goal. The present aerostructural optimization methodology uses an integrated geometry parameterization and mesh movement strategy, which was initially proposed for aerodynamic shape optimization. This integrated approach provides the optimizer with a large amount of geometric freedom for conducting exploratory design, while allowing for efficient and robust mesh movement in the presence of substantial shape changes. In extending this approach to aerostructural optimization, this thesis has addressed a number of important challenges. A structural mesh deformation strategy has been introduced to translate consistently the shape changes described by the geometry parameterization to the structural model. A three-field formulation of the discrete steady aerostructural residual couples the mesh movement equations with the three-dimensional Euler equations and a linear structural analysis. Gradients needed for optimization are computed with a three-field coupled adjoint approach. A number of investigations have been conducted to demonstrate the suitability and accuracy of the present methodology for use in aerostructural optimization involving substantial shape changes. Robustness and efficiency in the coupled solution algorithms is crucial to the success of an exploratory optimization. This thesis therefore also focuses on the design of an effective monolithic solution algorithm for the proposed methodology. This involves using a Newton-Krylov method for the aerostructural analysis and a preconditioned Krylov subspace method for the coupled adjoint solution. Several aspects of the monolithic solution method have been investigated. These include appropriate strategies for scaling and matrix-vector product evaluation, as well as block preconditioning techniques that preserve the modularity between subproblems. The monolithic solution method is applied to problems with varying degrees of fluid-structural coupling, as well as a wing span optimization study. The monolithic solution algorithm typically requires 20%-70% less computing time than its partitioned counterpart. This advantage increases with increasing wing flexibility. The performance of the monolithic solution method is also much less sensitive to the choice of the solution parameter.

PRIFIRA: General regularization using prior-conditioning for fast radio interferometric imaging†

NASA Astrophysics Data System (ADS)

Naghibzadeh, Shahrzad; van der Veen, Alle-Jan

2018-06-01

Image formation in radio astronomy is a large-scale inverse problem that is inherently ill-posed. We present a general algorithmic framework based on a Bayesian-inspired regularized maximum likelihood formulation of the radio astronomical imaging problem with a focus on diffuse emission recovery from limited noisy correlation data. The algorithm is dubbed PRIor-conditioned Fast Iterative Radio Astronomy (PRIFIRA) and is based on a direct embodiment of the regularization operator into the system by right preconditioning. The resulting system is then solved using an iterative method based on projections onto Krylov subspaces. We motivate the use of a beamformed image (which includes the classical "dirty image") as an efficient prior-conditioner. Iterative reweighting schemes generalize the algorithmic framework and can account for different regularization operators that encourage sparsity of the solution. The performance of the proposed method is evaluated based on simulated one- and two-dimensional array arrangements as well as actual data from the core stations of the Low Frequency Array radio telescope antenna configuration, and compared to state-of-the-art imaging techniques. We show the generality of the proposed method in terms of regularization schemes while maintaining a competitive reconstruction quality with the current reconstruction techniques. Furthermore, we show that exploiting Krylov subspace methods together with the proper noise-based stopping criteria results in a great improvement in imaging efficiency.

Parallel iterative methods for sparse linear and nonlinear equations

NASA Technical Reports Server (NTRS)

Saad, Youcef

1989-01-01

As three-dimensional models are gaining importance, iterative methods will become almost mandatory. Among these, preconditioned Krylov subspace methods have been viewed as the most efficient and reliable, when solving linear as well as nonlinear systems of equations. There has been several different approaches taken to adapt iterative methods for supercomputers. Some of these approaches are discussed and the methods that deal more specifically with general unstructured sparse matrices, such as those arising from finite element methods, are emphasized.

Implementation details of the coupled QMR algorithm

NASA Technical Reports Server (NTRS)

Freund, Roland W.; Nachtigal, Noel M.

1992-01-01

The original quasi-minimal residual method (QMR) relies on the three-term look-ahead Lanczos process, to generate basis vectors for the underlying Krylov subspaces. However, empirical observations indicate that, in finite precision arithmetic, three-term vector recurrences are less robust than mathematically equivalent coupled two-term recurrences. Therefore, we recently proposed a new implementation of the QMR method based on a coupled two-term look-ahead Lanczos procedure. In this paper, we describe implementation details of this coupled QMR algorithm, and we present results of numerical experiments.

Density-matrix-based algorithm for solving eigenvalue problems

NASA Astrophysics Data System (ADS)

Polizzi, Eric

2009-03-01

A fast and stable numerical algorithm for solving the symmetric eigenvalue problem is presented. The technique deviates fundamentally from the traditional Krylov subspace iteration based techniques (Arnoldi and Lanczos algorithms) or other Davidson-Jacobi techniques and takes its inspiration from the contour integration and density-matrix representation in quantum mechanics. It will be shown that this algorithm—named FEAST—exhibits high efficiency, robustness, accuracy, and scalability on parallel architectures. Examples from electronic structure calculations of carbon nanotubes are presented, and numerical performances and capabilities are discussed.

Efficient Solution of Three-Dimensional Problems of Acoustic and Electromagnetic Scattering by Open Surfaces

NASA Technical Reports Server (NTRS)

Turc, Catalin; Anand, Akash; Bruno, Oscar; Chaubell, Julian

2011-01-01

We present a computational methodology (a novel Nystrom approach based on use of a non-overlapping patch technique and Chebyshev discretizations) for efficient solution of problems of acoustic and electromagnetic scattering by open surfaces. Our integral equation formulations (1) Incorporate, as ansatz, the singular nature of open-surface integral-equation solutions, and (2) For the Electric Field Integral Equation (EFIE), use analytical regularizes that effectively reduce the number of iterations required by iterative linear-algebra solution based on Krylov-subspace iterative solvers.

Efficient solution of parabolic equations by Krylov approximation methods

NASA Technical Reports Server (NTRS)

Gallopoulos, E.; Saad, Y.

1990-01-01

Numerical techniques for solving parabolic equations by the method of lines is addressed. The main motivation for the proposed approach is the possibility of exploiting a high degree of parallelism in a simple manner. The basic idea of the method is to approximate the action of the evolution operator on a given state vector by means of a projection process onto a Krylov subspace. Thus, the resulting approximation consists of applying an evolution operator of a very small dimension to a known vector which is, in turn, computed accurately by exploiting well-known rational approximations to the exponential. Because the rational approximation is only applied to a small matrix, the only operations required with the original large matrix are matrix-by-vector multiplications, and as a result the algorithm can easily be parallelized and vectorized. Some relevant approximation and stability issues are discussed. We present some numerical experiments with the method and compare its performance with a few explicit and implicit algorithms.

MIBPB: A software package for electrostatic analysis

PubMed Central

Chen, Duan; Chen, Zhan; Chen, Changjun; Geng, Weihua; Wei, Guo-Wei

2010-01-01

The Poisson-Boltzmann equation (PBE) is an established model for the electrostatic analysis of biomolecules. The development of advanced computational techniques for the solution of the PBE has been an important topic in the past two decades. This paper presents a matched interface and boundary (MIB) based PBE software package, the MIBPB solver, for electrostatic analysis. The MIBPB has a unique feature that it is the first interface technique based PBE solver that rigorously enforces the solution and flux continuity conditions at the dielectric interface between the biomolecule and the solvent. For protein molecular surfaces which may possess troublesome geometrical singularities, the MIB scheme makes the MIBPB by far the only existing PBE solver that is able to deliver the second order convergence, i.e., the accuracy increases four times when the mesh size is halved. The MIBPB method is also equipped with a Dirichlet-to-Neumann mapping (DNM) technique, that builds a Green's function approach to analytically resolve the singular charge distribution in biomolecules in order to obtain reliable solutions at meshes as coarse as 1Å — while it usually takes other traditional PB solvers 0.25Å to reach similar level of reliability. The present work further accelerates the rate of convergence of linear equation systems resulting from the MIBPB by utilizing the Krylov subspace (KS) techniques. Condition numbers of the MIBPB matrices are significantly reduced by using appropriate Krylov subspace solver and preconditioner combinations. Both linear and nonlinear PBE solvers in the MIBPB package are tested by protein-solvent solvation energy calculations and analysis of salt effects on protein-protein binding energies, respectively. PMID:20845420

An iterative solver for the 3D Helmholtz equation

NASA Astrophysics Data System (ADS)

Belonosov, Mikhail; Dmitriev, Maxim; Kostin, Victor; Neklyudov, Dmitry; Tcheverda, Vladimir

2017-09-01

We develop a frequency-domain iterative solver for numerical simulation of acoustic waves in 3D heterogeneous media. It is based on the application of a unique preconditioner to the Helmholtz equation that ensures convergence for Krylov subspace iteration methods. Effective inversion of the preconditioner involves the Fast Fourier Transform (FFT) and numerical solution of a series of boundary value problems for ordinary differential equations. Matrix-by-vector multiplication for iterative inversion of the preconditioned matrix involves inversion of the preconditioner and pointwise multiplication of grid functions. Our solver has been verified by benchmarking against exact solutions and a time-domain solver.

Parallel computing techniques for rotorcraft aerodynamics

NASA Astrophysics Data System (ADS)

Ekici, Kivanc

The modification of unsteady three-dimensional Navier-Stokes codes for application on massively parallel and distributed computing environments is investigated. The Euler/Navier-Stokes code TURNS (Transonic Unsteady Rotor Navier-Stokes) was chosen as a test bed because of its wide use by universities and industry. For the efficient implementation of TURNS on parallel computing systems, two algorithmic changes are developed. First, main modifications to the implicit operator, Lower-Upper Symmetric Gauss Seidel (LU-SGS) originally used in TURNS, is performed. Second, application of an inexact Newton method, coupled with a Krylov subspace iterative method (Newton-Krylov method) is carried out. Both techniques have been tried previously for the Euler equations mode of the code. In this work, we have extended the methods to the Navier-Stokes mode. Several new implicit operators were tried because of convergence problems of traditional operators with the high cell aspect ratio (CAR) grids needed for viscous calculations on structured grids. Promising results for both Euler and Navier-Stokes cases are presented for these operators. For the efficient implementation of Newton-Krylov methods to the Navier-Stokes mode of TURNS, efficient preconditioners must be used. The parallel implicit operators used in the previous step are employed as preconditioners and the results are compared. The Message Passing Interface (MPI) protocol has been used because of its portability to various parallel architectures. It should be noted that the proposed methodology is general and can be applied to several other CFD codes (e.g. OVERFLOW).

A Kronecker product splitting preconditioner for two-dimensional space-fractional diffusion equations

NASA Astrophysics Data System (ADS)

Chen, Hao; Lv, Wen; Zhang, Tongtong

2018-05-01

We study preconditioned iterative methods for the linear system arising in the numerical discretization of a two-dimensional space-fractional diffusion equation. Our approach is based on a formulation of the discrete problem that is shown to be the sum of two Kronecker products. By making use of an alternating Kronecker product splitting iteration technique we establish a class of fixed-point iteration methods. Theoretical analysis shows that the new method converges to the unique solution of the linear system. Moreover, the optimal choice of the involved iteration parameters and the corresponding asymptotic convergence rate are computed exactly when the eigenvalues of the system matrix are all real. The basic iteration is accelerated by a Krylov subspace method like GMRES. The corresponding preconditioner is in a form of a Kronecker product structure and requires at each iteration the solution of a set of discrete one-dimensional fractional diffusion equations. We use structure preserving approximations to the discrete one-dimensional fractional diffusion operators in the action of the preconditioning matrix. Numerical examples are presented to illustrate the effectiveness of this approach.

A Reduced Order Model for Whole-Chip Thermal Analysis of Microfluidic Lab-on-a-Chip Systems

PubMed Central

Wang, Yi; Song, Hongjun; Pant, Kapil

2013-01-01

This paper presents a Krylov subspace projection-based Reduced Order Model (ROM) for whole microfluidic chip thermal analysis, including conjugate heat transfer. Two key steps in the reduced order modeling procedure are described in detail, including (1) the acquisition of a 3D full-scale computational model in the state-space form to capture the dynamic thermal behavior of the entire microfluidic chip; and (2) the model order reduction using the Block Arnoldi algorithm to markedly lower the dimension of the full-scale model. Case studies using practically relevant thermal microfluidic chip are undertaken to establish the capability and to evaluate the computational performance of the reduced order modeling technique. The ROM is compared against the full-scale model and exhibits good agreement in spatiotemporal thermal profiles (<0.5% relative error in pertinent time scales) and over three orders-of-magnitude acceleration in computational speed. The salient model reusability and real-time simulation capability renders it amenable for operational optimization and in-line thermal control and management of microfluidic systems and devices. PMID:24443647

A stopping criterion for the iterative solution of partial differential equations

NASA Astrophysics Data System (ADS)

Rao, Kaustubh; Malan, Paul; Perot, J. Blair

2018-01-01

A stopping criterion for iterative solution methods is presented that accurately estimates the solution error using low computational overhead. The proposed criterion uses information from prior solution changes to estimate the error. When the solution changes are noisy or stagnating it reverts to a less accurate but more robust, low-cost singular value estimate to approximate the error given the residual. This estimator can also be applied to iterative linear matrix solvers such as Krylov subspace or multigrid methods. Examples of the stopping criterion's ability to accurately estimate the non-linear and linear solution error are provided for a number of different test cases in incompressible fluid dynamics.

Characterizing L1-norm best-fit subspaces

NASA Astrophysics Data System (ADS)

Brooks, J. Paul; Dulá, José H.

2017-05-01

Fitting affine objects to data is the basis of many tools and methodologies in statistics, machine learning, and signal processing. The L1 norm is often employed to produce subspaces exhibiting a robustness to outliers and faulty observations. The L1-norm best-fit subspace problem is directly formulated as a nonlinear, nonconvex, and nondifferentiable optimization problem. The case when the subspace is a hyperplane can be solved to global optimality efficiently by solving a series of linear programs. The problem of finding the best-fit line has recently been shown to be NP-hard. We present necessary conditions for optimality for the best-fit subspace problem, and use them to characterize properties of optimal solutions.

Preserving Symmetry in Preconditioned Krylov Subspace Methods

NASA Technical Reports Server (NTRS)

Chan, Tony F.; Chow, E.; Saad, Y.; Yeung, M. C.

1996-01-01

We consider the problem of solving a linear system Ax = b when A is nearly symmetric and when the system is preconditioned by a symmetric positive definite matrix M. In the symmetric case, one can recover symmetry by using M-inner products in the conjugate gradient (CG) algorithm. This idea can also be used in the nonsymmetric case, and near symmetry can be preserved similarly. Like CG, the new algorithms are mathematically equivalent to split preconditioning, but do not require M to be factored. Better robustness in a specific sense can also be observed. When combined with truncated versions of iterative methods, tests show that this is more effective than the common practice of forfeiting near-symmetry altogether.

A Computationally Efficient Parallel Levenberg-Marquardt Algorithm for Large-Scale Big-Data Inversion

NASA Astrophysics Data System (ADS)

Lin, Y.; O'Malley, D.; Vesselinov, V. V.

2015-12-01

Inverse modeling seeks model parameters given a set of observed state variables. However, for many practical problems due to the facts that the observed data sets are often large and model parameters are often numerous, conventional methods for solving the inverse modeling can be computationally expensive. We have developed a new, computationally-efficient Levenberg-Marquardt method for solving large-scale inverse modeling. Levenberg-Marquardt methods require the solution of a dense linear system of equations which can be prohibitively expensive to compute for large-scale inverse problems. Our novel method projects the original large-scale linear problem down to a Krylov subspace, such that the dimensionality of the measurements can be significantly reduced. Furthermore, instead of solving the linear system for every Levenberg-Marquardt damping parameter, we store the Krylov subspace computed when solving the first damping parameter and recycle it for all the following damping parameters. The efficiency of our new inverse modeling algorithm is significantly improved by using these computational techniques. We apply this new inverse modeling method to invert for a random transitivity field. Our algorithm is fast enough to solve for the distributed model parameters (transitivity) at each computational node in the model domain. The inversion is also aided by the use regularization techniques. The algorithm is coded in Julia and implemented in the MADS computational framework (http://mads.lanl.gov). Julia is an advanced high-level scientific programing language that allows for efficient memory management and utilization of high-performance computational resources. By comparing with a Levenberg-Marquardt method using standard linear inversion techniques, our Levenberg-Marquardt method yields speed-up ratio of 15 in a multi-core computational environment and a speed-up ratio of 45 in a single-core computational environment. Therefore, our new inverse modeling method is a powerful tool for large-scale applications.

Multigrid and Krylov Subspace Methods for the Discrete Stokes Equations

NASA Technical Reports Server (NTRS)

Elman, Howard C.

1996-01-01

Discretization of the Stokes equations produces a symmetric indefinite system of linear equations. For stable discretizations, a variety of numerical methods have been proposed that have rates of convergence independent of the mesh size used in the discretization. In this paper, we compare the performance of four such methods: variants of the Uzawa, preconditioned conjugate gradient, preconditioned conjugate residual, and multigrid methods, for solving several two-dimensional model problems. The results indicate that where it is applicable, multigrid with smoothing based on incomplete factorization is more efficient than the other methods, but typically by no more than a factor of two. The conjugate residual method has the advantage of being both independent of iteration parameters and widely applicable.

pyCTQW: A continuous-time quantum walk simulator on distributed memory computers

NASA Astrophysics Data System (ADS)

Izaac, Josh A.; Wang, Jingbo B.

2015-01-01

In the general field of quantum information and computation, quantum walks are playing an increasingly important role in constructing physical models and quantum algorithms. We have recently developed a distributed memory software package pyCTQW, with an object-oriented Python interface, that allows efficient simulation of large multi-particle CTQW (continuous-time quantum walk)-based systems. In this paper, we present an introduction to the Python and Fortran interfaces of pyCTQW, discuss various numerical methods of calculating the matrix exponential, and demonstrate the performance behavior of pyCTQW on a distributed memory cluster. In particular, the Chebyshev and Krylov-subspace methods for calculating the quantum walk propagation are provided, as well as methods for visualization and data analysis.

Wide-angle full-vector beam propagation method based on an alternating direction implicit preconditioner

NASA Astrophysics Data System (ADS)

Chui, Siu Lit; Lu, Ya Yan

2004-03-01

Wide-angle full-vector beam propagation methods (BPMs) for three-dimensional wave-guiding structures can be derived on the basis of rational approximants of a square root operator or its exponential (i.e., the one-way propagator). While the less accurate BPM based on the slowly varying envelope approximation can be efficiently solved by the alternating direction implicit (ADI) method, the wide-angle variants involve linear systems that are more difficult to handle. We present an efficient solver for these linear systems that is based on a Krylov subspace method with an ADI preconditioner. The resulting wide-angle full-vector BPM is used to simulate the propagation of wave fields in a Y branch and a taper.

Wide-angle full-vector beam propagation method based on an alternating direction implicit preconditioner.

PubMed

Chui, Siu Lit; Lu, Ya Yan

2004-03-01

Wide-angle full-vector beam propagation methods (BPMs) for three-dimensional wave-guiding structures can be derived on the basis of rational approximants of a square root operator or its exponential (i.e., the one-way propagator). While the less accurate BPM based on the slowly varying envelope approximation can be efficiently solved by the alternating direction implicit (ADI) method, the wide-angle variants involve linear systems that are more difficult to handle. We present an efficient solver for these linear systems that is based on a Krylov subspace method with an ADI preconditioner. The resulting wide-angle full-vector BPM is used to simulate the propagation of wave fields in a Y branch and a taper.

Parallel Cartesian grid refinement for 3D complex flow simulations

NASA Astrophysics Data System (ADS)

Angelidis, Dionysios; Sotiropoulos, Fotis

2013-11-01

A second order accurate method for discretizing the Navier-Stokes equations on 3D unstructured Cartesian grids is presented. Although the grid generator is based on the oct-tree hierarchical method, fully unstructured data-structure is adopted enabling robust calculations for incompressible flows, avoiding both the need of synchronization of the solution between different levels of refinement and usage of prolongation/restriction operators. The current solver implements a hybrid staggered/non-staggered grid layout, employing the implicit fractional step method to satisfy the continuity equation. The pressure-Poisson equation is discretized by using a novel second order fully implicit scheme for unstructured Cartesian grids and solved using an efficient Krylov subspace solver. The momentum equation is also discretized with second order accuracy and the high performance Newton-Krylov method is used for integrating them in time. Neumann and Dirichlet conditions are used to validate the Poisson solver against analytical functions and grid refinement results to a significant reduction of the solution error. The effectiveness of the fractional step method results in the stability of the overall algorithm and enables the performance of accurate multi-resolution real life simulations. This material is based upon work supported by the Department of Energy under Award Number DE-EE0005482.

Optimizing Cubature for Efficient Integration of Subspace Deformations

PubMed Central

An, Steven S.; Kim, Theodore; James, Doug L.

2009-01-01

We propose an efficient scheme for evaluating nonlinear subspace forces (and Jacobians) associated with subspace deformations. The core problem we address is efficient integration of the subspace force density over the 3D spatial domain. Similar to Gaussian quadrature schemes that efficiently integrate functions that lie in particular polynomial subspaces, we propose cubature schemes (multi-dimensional quadrature) optimized for efficient integration of force densities associated with particular subspace deformations, particular materials, and particular geometric domains. We support generic subspace deformation kinematics, and nonlinear hyperelastic materials. For an r-dimensional deformation subspace with O(r) cubature points, our method is able to evaluate subspace forces at O(r2) cost. We also describe composite cubature rules for runtime error estimation. Results are provided for various subspace deformation models, several hyperelastic materials (St.Venant-Kirchhoff, Mooney-Rivlin, Arruda-Boyce), and multimodal (graphics, haptics, sound) applications. We show dramatically better efficiency than traditional Monte Carlo integration. CR Categories: I.6.8 [Simulation and Modeling]: Types of Simulation—Animation, I.3.5 [Computer Graphics]: Computational Geometry and Object Modeling—Physically based modeling G.1.4 [Mathematics of Computing]: Numerical Analysis—Quadrature and Numerical Differentiation PMID:19956777

Krylov Deferred Correction Accelerated Method of Lines Transpose for Parabolic Problems

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

Jia, Jun; Jingfang, Huang

2008-01-01

In this paper, a new class of numerical methods for the accurate and efficient solutions of parabolic partial differential equations is presented. Unlike traditional method of lines (MoL), the new {\\bf \\it Krylov deferred correction (KDC) accelerated method of lines transpose (MoL^T)} first discretizes the temporal direction using Gaussian type nodes and spectral integration, and symbolically applies low-order time marching schemes to form a preconditioned elliptic system, which is then solved iteratively using Newton-Krylov techniques such as Newton-GMRES or Newton-BiCGStab method. Each function evaluation in the Newton-Krylov method is simply one low-order time-stepping approximation of the error by solving amore » decoupled system using available fast elliptic equation solvers. Preliminary numerical experiments show that the KDC accelerated MoL^T technique is unconditionally stable, can be spectrally accurate in both temporal and spatial directions, and allows optimal time-step sizes in long-time simulations.« less

Pushing Memory Bandwidth Limitations Through Efficient Implementations of Block-Krylov Space Solvers on GPUs

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

Clark, M. A.; Strelchenko, Alexei; Vaquero, Alejandro

Lattice quantum chromodynamics simulations in nuclear physics have benefited from a tremendous number of algorithmic advances such as multigrid and eigenvector deflation. These improve the time to solution but do not alleviate the intrinsic memory-bandwidth constraints of the matrix-vector operation dominating iterative solvers. Batching this operation for multiple vectors and exploiting cache and register blocking can yield a super-linear speed up. Block-Krylov solvers can naturally take advantage of such batched matrix-vector operations, further reducing the iterations to solution by sharing the Krylov space between solves. However, practical implementations typically suffer from the quadratic scaling in the number of vector-vector operations.more » Using the QUDA library, we present an implementation of a block-CG solver on NVIDIA GPUs which reduces the memory-bandwidth complexity of vector-vector operations from quadratic to linear. We present results for the HISQ discretization, showing a 5x speedup compared to highly-optimized independent Krylov solves on NVIDIA's SaturnV cluster.« less

Low-Rank Correction Methods for Algebraic Domain Decomposition Preconditioners

DOE PAGES

Li, Ruipeng; Saad, Yousef

2017-08-01

This study presents a parallel preconditioning method for distributed sparse linear systems, based on an approximate inverse of the original matrix, that adopts a general framework of distributed sparse matrices and exploits domain decomposition (DD) and low-rank corrections. The DD approach decouples the matrix and, once inverted, a low-rank approximation is applied by exploiting the Sherman--Morrison--Woodbury formula, which yields two variants of the preconditioning methods. The low-rank expansion is computed by the Lanczos procedure with reorthogonalizations. Numerical experiments indicate that, when combined with Krylov subspace accelerators, this preconditioner can be efficient and robust for solving symmetric sparse linear systems. Comparisonsmore » with pARMS, a DD-based parallel incomplete LU (ILU) preconditioning method, are presented for solving Poisson's equation and linear elasticity problems.« less

Low-Rank Correction Methods for Algebraic Domain Decomposition Preconditioners

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

Li, Ruipeng; Saad, Yousef

This study presents a parallel preconditioning method for distributed sparse linear systems, based on an approximate inverse of the original matrix, that adopts a general framework of distributed sparse matrices and exploits domain decomposition (DD) and low-rank corrections. The DD approach decouples the matrix and, once inverted, a low-rank approximation is applied by exploiting the Sherman--Morrison--Woodbury formula, which yields two variants of the preconditioning methods. The low-rank expansion is computed by the Lanczos procedure with reorthogonalizations. Numerical experiments indicate that, when combined with Krylov subspace accelerators, this preconditioner can be efficient and robust for solving symmetric sparse linear systems. Comparisonsmore » with pARMS, a DD-based parallel incomplete LU (ILU) preconditioning method, are presented for solving Poisson's equation and linear elasticity problems.« less

AFMPB: An adaptive fast multipole Poisson-Boltzmann solver for calculating electrostatics in biomolecular systems

NASA Astrophysics Data System (ADS)

Lu, Benzhuo; Cheng, Xiaolin; Huang, Jingfang; McCammon, J. Andrew

2010-06-01

A Fortran program package is introduced for rapid evaluation of the electrostatic potentials and forces in biomolecular systems modeled by the linearized Poisson-Boltzmann equation. The numerical solver utilizes a well-conditioned boundary integral equation (BIE) formulation, a node-patch discretization scheme, a Krylov subspace iterative solver package with reverse communication protocols, and an adaptive new version of fast multipole method in which the exponential expansions are used to diagonalize the multipole-to-local translations. The program and its full description, as well as several closely related libraries and utility tools are available at http://lsec.cc.ac.cn/~lubz/afmpb.html and a mirror site at http://mccammon.ucsd.edu/. This paper is a brief summary of the program: the algorithms, the implementation and the usage. Program summaryProgram title: AFMPB: Adaptive fast multipole Poisson-Boltzmann solver Catalogue identifier: AEGB_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEGB_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GPL 2.0 No. of lines in distributed program, including test data, etc.: 453 649 No. of bytes in distributed program, including test data, etc.: 8 764 754 Distribution format: tar.gz Programming language: Fortran Computer: Any Operating system: Any RAM: Depends on the size of the discretized biomolecular system Classification: 3 External routines: Pre- and post-processing tools are required for generating the boundary elements and for visualization. Users can use MSMS ( http://www.scripps.edu/~sanner/html/msms_home.html) for pre-processing, and VMD ( http://www.ks.uiuc.edu/Research/vmd/) for visualization. Sub-programs included: An iterative Krylov subspace solvers package from SPARSKIT by Yousef Saad ( http://www-users.cs.umn.edu/~saad/software/SPARSKIT/sparskit.html), and the fast multipole methods subroutines from FMMSuite ( http://www.fastmultipole.org/). Nature of problem: Numerical solution of the linearized Poisson-Boltzmann equation that describes electrostatic interactions of molecular systems in ionic solutions. Solution method: A novel node-patch scheme is used to discretize the well-conditioned boundary integral equation formulation of the linearized Poisson-Boltzmann equation. Various Krylov subspace solvers can be subsequently applied to solve the resulting linear system, with a bounded number of iterations independent of the number of discretized unknowns. The matrix-vector multiplication at each iteration is accelerated by the adaptive new versions of fast multipole methods. The AFMPB solver requires other stand-alone pre-processing tools for boundary mesh generation, post-processing tools for data analysis and visualization, and can be conveniently coupled with different time stepping methods for dynamics simulation. Restrictions: Only three or six significant digits options are provided in this version. Unusual features: Most of the codes are in Fortran77 style. Memory allocation functions from Fortran90 and above are used in a few subroutines. Additional comments: The current version of the codes is designed and written for single core/processor desktop machines. Check http://lsec.cc.ac.cn/~lubz/afmpb.html and http://mccammon.ucsd.edu/ for updates and changes. Running time: The running time varies with the number of discretized elements ( N) in the system and their distributions. In most cases, it scales linearly as a function of N.

Reduced-order modeling of piezoelectric energy harvesters with nonlinear circuits under complex conditions

NASA Astrophysics Data System (ADS)

Xiang, Hong-Jun; Zhang, Zhi-Wei; Shi, Zhi-Fei; Li, Hong

2018-04-01

A fully coupled modeling approach is developed for piezoelectric energy harvesters in this work based on the use of available robust finite element packages and efficient reducing order modeling techniques. At first, the harvester is modeled using finite element packages. The dynamic equilibrium equations of harvesters are rebuilt by extracting system matrices from the finite element model using built-in commands without any additional tools. A Krylov subspace-based scheme is then applied to obtain a reduced-order model for improving simulation efficiency but preserving the key features of harvesters. Co-simulation of the reduced-order model with nonlinear energy harvesting circuits is achieved in a system level. Several examples in both cases of harmonic response and transient response analysis are conducted to validate the present approach. The proposed approach allows to improve the simulation efficiency by several orders of magnitude. Moreover, the parameters used in the equivalent circuit model can be conveniently obtained by the proposed eigenvector-based model order reduction technique. More importantly, this work establishes a methodology for modeling of piezoelectric energy harvesters with any complicated mechanical geometries and nonlinear circuits. The input load may be more complex also. The method can be employed by harvester designers to optimal mechanical structures or by circuit designers to develop novel energy harvesting circuits.

Ordering Unstructured Meshes for Sparse Matrix Computations on Leading Parallel Systems

NASA Technical Reports Server (NTRS)

Oliker, Leonid; Li, Xiaoye; Heber, Gerd; Biswas, Rupak

2000-01-01

The ability of computers to solve hitherto intractable problems and simulate complex processes using mathematical models makes them an indispensable part of modern science and engineering. Computer simulations of large-scale realistic applications usually require solving a set of non-linear partial differential equations (PDES) over a finite region. For example, one thrust area in the DOE Grand Challenge projects is to design future accelerators such as the SpaHation Neutron Source (SNS). Our colleagues at SLAC need to model complex RFQ cavities with large aspect ratios. Unstructured grids are currently used to resolve the small features in a large computational domain; dynamic mesh adaptation will be added in the future for additional efficiency. The PDEs for electromagnetics are discretized by the FEM method, which leads to a generalized eigenvalue problem Kx = AMx, where K and M are the stiffness and mass matrices, and are very sparse. In a typical cavity model, the number of degrees of freedom is about one million. For such large eigenproblems, direct solution techniques quickly reach the memory limits. Instead, the most widely-used methods are Krylov subspace methods, such as Lanczos or Jacobi-Davidson. In all the Krylov-based algorithms, sparse matrix-vector multiplication (SPMV) must be performed repeatedly. Therefore, the efficiency of SPMV usually determines the eigensolver speed. SPMV is also one of the most heavily used kernels in large-scale numerical simulations.

Implicit solution of Navier-Stokes equations on staggered curvilinear grids using a Newton-Krylov method with a novel analytical Jacobian.

NASA Astrophysics Data System (ADS)

Borazjani, Iman; Asgharzadeh, Hafez

2015-11-01

Flow simulations involving complex geometries and moving boundaries suffer from time-step size restriction and low convergence rates with explicit and semi-implicit schemes. Implicit schemes can be used to overcome these restrictions. However, implementing implicit solver for nonlinear equations including Navier-Stokes is not straightforward. Newton-Krylov subspace methods (NKMs) are one of the most advanced iterative methods to solve non-linear equations such as implicit descritization of the Navier-Stokes equation. The efficiency of NKMs massively depends on the Jacobian formation method, e.g., automatic differentiation is very expensive, and matrix-free methods slow down as the mesh is refined. Analytical Jacobian is inexpensive method, but derivation of analytical Jacobian for Navier-Stokes equation on staggered grid is challenging. The NKM with a novel analytical Jacobian was developed and validated against Taylor-Green vortex and pulsatile flow in a 90 degree bend. The developed method successfully handled the complex geometries such as an intracranial aneurysm with multiple overset grids, and immersed boundaries. It is shown that the NKM with an analytical Jacobian is 3 to 25 times faster than the fixed-point implicit Runge-Kutta method, and more than 100 times faster than automatic differentiation depending on the grid (size) and the flow problem. The developed methods are fully parallelized with parallel efficiency of 80-90% on the problems tested.

Identifying Optimal Measurement Subspace for the Ensemble Kalman Filter

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

Zhou, Ning; Huang, Zhenyu; Welch, Greg

2012-05-24

To reduce the computational load of the ensemble Kalman filter while maintaining its efficacy, an optimization algorithm based on the generalized eigenvalue decomposition method is proposed for identifying the most informative measurement subspace. When the number of measurements is large, the proposed algorithm can be used to make an effective tradeoff between computational complexity and estimation accuracy. This algorithm also can be extended to other Kalman filters for measurement subspace selection.

Adaptive low-rank subspace learning with online optimization for robust visual tracking.

PubMed

Liu, Risheng; Wang, Di; Han, Yuzhuo; Fan, Xin; Luo, Zhongxuan

2017-04-01

In recent years, sparse and low-rank models have been widely used to formulate appearance subspace for visual tracking. However, most existing methods only consider the sparsity or low-rankness of the coefficients, which is not sufficient enough for appearance subspace learning on complex video sequences. Moreover, as both the low-rank and the column sparse measures are tightly related to all the samples in the sequences, it is challenging to incrementally solve optimization problems with both nuclear norm and column sparse norm on sequentially obtained video data. To address above limitations, this paper develops a novel low-rank subspace learning with adaptive penalization (LSAP) framework for subspace based robust visual tracking. Different from previous work, which often simply decomposes observations as low-rank features and sparse errors, LSAP simultaneously learns the subspace basis, low-rank coefficients and column sparse errors to formulate appearance subspace. Within LSAP framework, we introduce a Hadamard production based regularization to incorporate rich generative/discriminative structure constraints to adaptively penalize the coefficients for subspace learning. It is shown that such adaptive penalization can significantly improve the robustness of LSAP on severely corrupted dataset. To utilize LSAP for online visual tracking, we also develop an efficient incremental optimization scheme for nuclear norm and column sparse norm minimizations. Experiments on 50 challenging video sequences demonstrate that our tracker outperforms other state-of-the-art methods. Copyright © 2017 Elsevier Ltd. All rights reserved.

An application of the Krylov-FSP-SSA method to parameter fitting with maximum likelihood

NASA Astrophysics Data System (ADS)

Dinh, Khanh N.; Sidje, Roger B.

2017-12-01

Monte Carlo methods such as the stochastic simulation algorithm (SSA) have traditionally been employed in gene regulation problems. However, there has been increasing interest to directly obtain the probability distribution of the molecules involved by solving the chemical master equation (CME). This requires addressing the curse of dimensionality that is inherent in most gene regulation problems. The finite state projection (FSP) seeks to address the challenge and there have been variants that further reduce the size of the projection or that accelerate the resulting matrix exponential. The Krylov-FSP-SSA variant has proved numerically efficient by combining, on one hand, the SSA to adaptively drive the FSP, and on the other hand, adaptive Krylov techniques to evaluate the matrix exponential. Here we apply this Krylov-FSP-SSA to a mutual inhibitory gene network synthetically engineered in Saccharomyces cerevisiae, in which bimodality arises. We show numerically that the approach can efficiently approximate the transient probability distribution, and this has important implications for parameter fitting, where the CME has to be solved for many different parameter sets. The fitting scheme amounts to an optimization problem of finding the parameter set so that the transient probability distributions fit the observations with maximum likelihood. We compare five optimization schemes for this difficult problem, thereby providing further insights into this approach of parameter estimation that is often applied to models in systems biology where there is a need to calibrate free parameters. Work supported by NSF grant DMS-1320849.

A numerical method to solve the 1D and the 2D reaction diffusion equation based on Bessel functions and Jacobian free Newton-Krylov subspace methods

NASA Astrophysics Data System (ADS)

Parand, K.; Nikarya, M.

2017-11-01

In this paper a novel method will be introduced to solve a nonlinear partial differential equation (PDE). In the proposed method, we use the spectral collocation method based on Bessel functions of the first kind and the Jacobian free Newton-generalized minimum residual (JFNGMRes) method with adaptive preconditioner. In this work a nonlinear PDE has been converted to a nonlinear system of algebraic equations using the collocation method based on Bessel functions without any linearization, discretization or getting the help of any other methods. Finally, by using JFNGMRes, the solution of the nonlinear algebraic system is achieved. To illustrate the reliability and efficiency of the proposed method, we solve some examples of the famous Fisher equation. We compare our results with other methods.

Normal and abnormal tissue identification system and method for medical images such as digital mammograms

NASA Technical Reports Server (NTRS)

Heine, John J. (Inventor); Clarke, Laurence P. (Inventor); Deans, Stanley R. (Inventor); Stauduhar, Richard Paul (Inventor); Cullers, David Kent (Inventor)

2001-01-01

A system and method for analyzing a medical image to determine whether an abnormality is present, for example, in digital mammograms, includes the application of a wavelet expansion to a raw image to obtain subspace images of varying resolution. At least one subspace image is selected that has a resolution commensurate with a desired predetermined detection resolution range. A functional form of a probability distribution function is determined for each selected subspace image, and an optimal statistical normal image region test is determined for each selected subspace image. A threshold level for the probability distribution function is established from the optimal statistical normal image region test for each selected subspace image. A region size comprising at least one sector is defined, and an output image is created that includes a combination of all regions for each selected subspace image. Each region has a first value when the region intensity level is above the threshold and a second value when the region intensity level is below the threshold. This permits the localization of a potential abnormality within the image.

Some Remarks on GMRES for Transport Theory

NASA Technical Reports Server (NTRS)

Patton, Bruce W.; Holloway, James Paul

2003-01-01

We review some work on the application of GMRES to the solution of the discrete ordinates transport equation in one-dimension. We note that GMRES can be applied directly to the angular flux vector, or it can be applied to only a vector of flux moments as needed to compute the scattering operator of the transport equation. In the former case we illustrate both the delights and defects of ILU right-preconditioners for problems with anisotropic scatter and for problems with upscatter. When working with flux moments we note that GMRES can be used as an accelerator for any existing transport code whose solver is based on a stationary fixed-point iteration, including transport sweeps and DSA transport sweeps. We also provide some numerical illustrations of this idea. We finally show how space can be traded for speed by taking multiple transport sweeps per GMRES iteration. Key Words: transport equation, GMRES, Krylov subspace

New subspace methods for ATR

NASA Astrophysics Data System (ADS)

Zhang, Peng; Peng, Jing; Sims, S. Richard F.

2005-05-01

In ATR applications, each feature is a convolution of an image with a filter. It is important to use most discriminant features to produce compact representations. We propose two novel subspace methods for dimension reduction to address limitations associated with Fukunaga-Koontz Transform (FKT). The first method, Scatter-FKT, assumes that target is more homogeneous, while clutter can be anything other than target and anywhere. Thus, instead of estimating a clutter covariance matrix, Scatter-FKT computes a clutter scatter matrix that measures the spread of clutter from the target mean. We choose dimensions along which the difference in variation between target and clutter is most pronounced. When the target follows a Gaussian distribution, Scatter-FKT can be viewed as a generalization of FKT. The second method, Optimal Bayesian Subspace, is derived from the optimal Bayesian classifier. It selects dimensions such that the minimum Bayes error rate can be achieved. When both target and clutter follow Gaussian distributions, OBS computes optimal subspace representations. We compare our methods against FKT using character image as well as IR data.

Subspace-Aware Index Codes

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

Kailkhura, Bhavya; Theagarajan, Lakshmi Narasimhan; Varshney, Pramod K.

In this paper, we generalize the well-known index coding problem to exploit the structure in the source-data to improve system throughput. In many applications (e.g., multimedia), the data to be transmitted may lie (or can be well approximated) in a low-dimensional subspace. We exploit this low-dimensional structure of the data using an algebraic framework to solve the index coding problem (referred to as subspace-aware index coding) as opposed to the traditional index coding problem which is subspace-unaware. Also, we propose an efficient algorithm based on the alternating minimization approach to obtain near optimal index codes for both subspace-aware and -unawaremore » cases. In conclusion, our simulations indicate that under certain conditions, a significant throughput gain (about 90%) can be achieved by subspace-aware index codes over conventional subspace-unaware index codes.« less

Subspace-Aware Index Codes

DOE PAGES

Kailkhura, Bhavya; Theagarajan, Lakshmi Narasimhan; Varshney, Pramod K.

2017-04-12

In this paper, we generalize the well-known index coding problem to exploit the structure in the source-data to improve system throughput. In many applications (e.g., multimedia), the data to be transmitted may lie (or can be well approximated) in a low-dimensional subspace. We exploit this low-dimensional structure of the data using an algebraic framework to solve the index coding problem (referred to as subspace-aware index coding) as opposed to the traditional index coding problem which is subspace-unaware. Also, we propose an efficient algorithm based on the alternating minimization approach to obtain near optimal index codes for both subspace-aware and -unawaremore » cases. In conclusion, our simulations indicate that under certain conditions, a significant throughput gain (about 90%) can be achieved by subspace-aware index codes over conventional subspace-unaware index codes.« less

Subspace-based optimization method for inverse scattering problems with an inhomogeneous background medium

NASA Astrophysics Data System (ADS)

Chen, Xudong

2010-07-01

This paper proposes a version of the subspace-based optimization method to solve the inverse scattering problem with an inhomogeneous background medium where the known inhomogeneities are bounded in a finite domain. Although the background Green's function at each discrete point in the computational domain is not directly available in an inhomogeneous background scenario, the paper uses the finite element method to simultaneously obtain the Green's function at all discrete points. The essence of the subspace-based optimization method is that part of the contrast source is determined from the spectrum analysis without using any optimization, whereas the orthogonally complementary part is determined by solving a lower dimension optimization problem. This feature significantly speeds up the convergence of the algorithm and at the same time makes it robust against noise. Numerical simulations illustrate the efficacy of the proposed algorithm. The algorithm presented in this paper finds wide applications in nondestructive evaluation, such as through-wall imaging.

Rational approximations from power series of vector-valued meromorphic functions

NASA Technical Reports Server (NTRS)

Sidi, Avram

1992-01-01

Let F(z) be a vector-valued function, F: C yields C(sup N), which is analytic at z = 0 and meromorphic in a neighborhood of z = 0, and let its Maclaurin series be given. In this work we developed vector-valued rational approximation procedures for F(z) by applying vector extrapolation methods to the sequence of partial sums of its Maclaurin series. We analyzed some of the algebraic and analytic properties of the rational approximations thus obtained, and showed that they were akin to Pade approximations. In particular, we proved a Koenig type theorem concerning their poles and a de Montessus type theorem concerning their uniform convergence. We showed how optical approximations to multiple poles and to Laurent expansions about these poles can be constructed. Extensions of the procedures above and the accompanying theoretical results to functions defined in arbitrary linear spaces was also considered. One of the most interesting and immediate applications of the results of this work is to the matrix eigenvalue problem. In a forthcoming paper we exploited the developments of the present work to devise bona fide generalizations of the classical power method that are especially suitable for very large and sparse matrices. These generalizations can be used to approximate simultaneously several of the largest distinct eigenvalues and corresponding eigenvectors and invariant subspaces of arbitrary matrices which may or may not be diagonalizable, and are very closely related with known Krylov subspace methods.

A fast multigrid-based electromagnetic eigensolver for curved metal boundaries on the Yee mesh

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

Bauer, Carl A., E-mail: carl.bauer@colorado.edu; Werner, Gregory R.; Cary, John R.

For embedded boundary electromagnetics using the Dey–Mittra (Dey and Mittra, 1997) [1] algorithm, a special grad–div matrix constructed in this work allows use of multigrid methods for efficient inversion of Maxwell’s curl–curl matrix. Efficient curl–curl inversions are demonstrated within a shift-and-invert Krylov-subspace eigensolver (open-sourced at ([ofortt]https://github.com/bauerca/maxwell[cfortt])) on the spherical cavity and the 9-cell TESLA superconducting accelerator cavity. The accuracy of the Dey–Mittra algorithm is also examined: frequencies converge with second-order error, and surface fields are found to converge with nearly second-order error. In agreement with previous work (Nieter et al., 2009) [2], neglecting some boundary-cut cell faces (as is requiredmore » in the time domain for numerical stability) reduces frequency convergence to first-order and surface-field convergence to zeroth-order (i.e. surface fields do not converge). Additionally and importantly, neglecting faces can reduce accuracy by an order of magnitude at low resolutions.« less

Multilevel acceleration of scattering-source iterations with application to electron transport

DOE PAGES

Drumm, Clif; Fan, Wesley

2017-08-18

Acceleration/preconditioning strategies available in the SCEPTRE radiation transport code are described. A flexible transport synthetic acceleration (TSA) algorithm that uses a low-order discrete-ordinates (S N) or spherical-harmonics (P N) solve to accelerate convergence of a high-order S N source-iteration (SI) solve is described. Convergence of the low-order solves can be further accelerated by applying off-the-shelf incomplete-factorization or algebraic-multigrid methods. Also available is an algorithm that uses a generalized minimum residual (GMRES) iterative method rather than SI for convergence, using a parallel sweep-based solver to build up a Krylov subspace. TSA has been applied as a preconditioner to accelerate the convergencemore » of the GMRES iterations. The methods are applied to several problems involving electron transport and problems with artificial cross sections with large scattering ratios. These methods were compared and evaluated by considering material discontinuities and scattering anisotropy. Observed accelerations obtained are highly problem dependent, but speedup factors around 10 have been observed in typical applications.« less

Koopman Invariant Subspaces and Finite Linear Representations of Nonlinear Dynamical Systems for Control.

PubMed

Brunton, Steven L; Brunton, Bingni W; Proctor, Joshua L; Kutz, J Nathan

2016-01-01

In this wIn this work, we explore finite-dimensional linear representations of nonlinear dynamical systems by restricting the Koopman operator to an invariant subspace spanned by specially chosen observable functions. The Koopman operator is an infinite-dimensional linear operator that evolves functions of the state of a dynamical system. Dominant terms in the Koopman expansion are typically computed using dynamic mode decomposition (DMD). DMD uses linear measurements of the state variables, and it has recently been shown that this may be too restrictive for nonlinear systems. Choosing the right nonlinear observable functions to form an invariant subspace where it is possible to obtain linear reduced-order models, especially those that are useful for control, is an open challenge. Here, we investigate the choice of observable functions for Koopman analysis that enable the use of optimal linear control techniques on nonlinear problems. First, to include a cost on the state of the system, as in linear quadratic regulator (LQR) control, it is helpful to include these states in the observable subspace, as in DMD. However, we find that this is only possible when there is a single isolated fixed point, as systems with multiple fixed points or more complicated attractors are not globally topologically conjugate to a finite-dimensional linear system, and cannot be represented by a finite-dimensional linear Koopman subspace that includes the state. We then present a data-driven strategy to identify relevant observable functions for Koopman analysis by leveraging a new algorithm to determine relevant terms in a dynamical system by ℓ1-regularized regression of the data in a nonlinear function space; we also show how this algorithm is related to DMD. Finally, we demonstrate the usefulness of nonlinear observable subspaces in the design of Koopman operator optimal control laws for fully nonlinear systems using techniques from linear optimal control.ork, we explore finite-dimensional linear representations of nonlinear dynamical systems by restricting the Koopman operator to an invariant subspace spanned by specially chosen observable functions. The Koopman operator is an infinite-dimensional linear operator that evolves functions of the state of a dynamical system. Dominant terms in the Koopman expansion are typically computed using dynamic mode decomposition (DMD). DMD uses linear measurements of the state variables, and it has recently been shown that this may be too restrictive for nonlinear systems. Choosing the right nonlinear observable functions to form an invariant subspace where it is possible to obtain linear reduced-order models, especially those that are useful for control, is an open challenge. Here, we investigate the choice of observable functions for Koopman analysis that enable the use of optimal linear control techniques on nonlinear problems. First, to include a cost on the state of the system, as in linear quadratic regulator (LQR) control, it is helpful to include these states in the observable subspace, as in DMD. However, we find that this is only possible when there is a single isolated fixed point, as systems with multiple fixed points or more complicated attractors are not globally topologically conjugate to a finite-dimensional linear system, and cannot be represented by a finite-dimensional linear Koopman subspace that includes the state. We then present a data-driven strategy to identify relevant observable functions for Koopman analysis by leveraging a new algorithm to determine relevant terms in a dynamical system by ℓ1-regularized regression of the data in a nonlinear function space; we also show how this algorithm is related to DMD. Finally, we demonstrate the usefulness of nonlinear observable subspaces in the design of Koopman operator optimal control laws for fully nonlinear systems using techniques from linear optimal control.

Learning Robust and Discriminative Subspace With Low-Rank Constraints.

PubMed

Li, Sheng; Fu, Yun

2016-11-01

In this paper, we aim at learning robust and discriminative subspaces from noisy data. Subspace learning is widely used in extracting discriminative features for classification. However, when data are contaminated with severe noise, the performance of most existing subspace learning methods would be limited. Recent advances in low-rank modeling provide effective solutions for removing noise or outliers contained in sample sets, which motivates us to take advantage of low-rank constraints in order to exploit robust and discriminative subspace for classification. In particular, we present a discriminative subspace learning method called the supervised regularization-based robust subspace (SRRS) approach, by incorporating the low-rank constraint. SRRS seeks low-rank representations from the noisy data, and learns a discriminative subspace from the recovered clean data jointly. A supervised regularization function is designed to make use of the class label information, and therefore to enhance the discriminability of subspace. Our approach is formulated as a constrained rank-minimization problem. We design an inexact augmented Lagrange multiplier optimization algorithm to solve it. Unlike the existing sparse representation and low-rank learning methods, our approach learns a low-dimensional subspace from recovered data, and explicitly incorporates the supervised information. Our approach and some baselines are evaluated on the COIL-100, ALOI, Extended YaleB, FERET, AR, and KinFace databases. The experimental results demonstrate the effectiveness of our approach, especially when the data contain considerable noise or variations.

Newton-Krylov-Schwarz: An implicit solver for CFD

NASA Technical Reports Server (NTRS)

Cai, Xiao-Chuan; Keyes, David E.; Venkatakrishnan, V.

1995-01-01

Newton-Krylov methods and Krylov-Schwarz (domain decomposition) methods have begun to become established in computational fluid dynamics (CFD) over the past decade. The former employ a Krylov method inside of Newton's method in a Jacobian-free manner, through directional differencing. The latter employ an overlapping Schwarz domain decomposition to derive a preconditioner for the Krylov accelerator that relies primarily on local information, for data-parallel concurrency. They may be composed as Newton-Krylov-Schwarz (NKS) methods, which seem particularly well suited for solving nonlinear elliptic systems in high-latency, distributed-memory environments. We give a brief description of this family of algorithms, with an emphasis on domain decomposition iterative aspects. We then describe numerical simulations with Newton-Krylov-Schwarz methods on aerodynamics applications emphasizing comparisons with a standard defect-correction approach, subdomain preconditioner consistency, subdomain preconditioner quality, and the effect of a coarse grid.

A Mixed Integer Efficient Global Optimization Framework: Applied to the Simultaneous Aircraft Design, Airline Allocation and Revenue Management Problem

NASA Astrophysics Data System (ADS)

Roy, Satadru

Traditional approaches to design and optimize a new system, often, use a system-centric objective and do not take into consideration how the operator will use this new system alongside of other existing systems. This "hand-off" between the design of the new system and how the new system operates alongside other systems might lead to a sub-optimal performance with respect to the operator-level objective. In other words, the system that is optimal for its system-level objective might not be best for the system-of-systems level objective of the operator. Among the few available references that describe attempts to address this hand-off, most follow an MDO-motivated subspace decomposition approach of first designing a very good system and then provide this system to the operator who decides the best way to use this new system along with the existing systems. The motivating example in this dissertation presents one such similar problem that includes aircraft design, airline operations and revenue management "subspaces". The research here develops an approach that could simultaneously solve these subspaces posed as a monolithic optimization problem. The monolithic approach makes the problem a Mixed Integer/Discrete Non-Linear Programming (MINLP/MDNLP) problem, which are extremely difficult to solve. The presence of expensive, sophisticated engineering analyses further aggravate the problem. To tackle this challenge problem, the work here presents a new optimization framework that simultaneously solves the subspaces to capture the "synergism" in the problem that the previous decomposition approaches may not have exploited, addresses mixed-integer/discrete type design variables in an efficient manner, and accounts for computationally expensive analysis tools. The framework combines concepts from efficient global optimization, Kriging partial least squares, and gradient-based optimization. This approach then demonstrates its ability to solve an 11 route airline network problem consisting of 94 decision variables including 33 integer and 61 continuous type variables. This application problem is a representation of an interacting group of systems and provides key challenges to the optimization framework to solve the MINLP problem, as reflected by the presence of a moderate number of integer and continuous type design variables and expensive analysis tool. The result indicates simultaneously solving the subspaces could lead to significant improvement in the fleet-level objective of the airline when compared to the previously developed sequential subspace decomposition approach. In developing the approach to solve the MINLP/MDNLP challenge problem, several test problems provided the ability to explore performance of the framework. While solving these test problems, the framework showed that it could solve other MDNLP problems including categorically discrete variables, indicating that the framework could have broader application than the new aircraft design-fleet allocation-revenue management problem.

Beyond union of subspaces: Subspace pursuit on Grassmann manifold for data representation

DOE PAGES

Shen, Xinyue; Krim, Hamid; Gu, Yuantao

2016-03-01

Discovering the underlying structure of a high-dimensional signal or big data has always been a challenging topic, and has become harder to tackle especially when the observations are exposed to arbitrary sparse perturbations. Here in this paper, built on the model of a union of subspaces (UoS) with sparse outliers and inspired by a basis pursuit strategy, we exploit the fundamental structure of a Grassmann manifold, and propose a new technique of pursuing the subspaces systematically by solving a non-convex optimization problem using the alternating direction method of multipliers. This problem as noted is further complicated by non-convex constraints onmore » the Grassmann manifold, as well as the bilinearity in the penalty caused by the subspace bases and coefficients. Nevertheless, numerical experiments verify that the proposed algorithm, which provides elegant solutions to the sub-problems in each step, is able to de-couple the subspaces and pursue each of them under time-efficient parallel computation.« less

A Subspace Semi-Definite programming-based Underestimation (SSDU) method for stochastic global optimization in protein docking*

PubMed Central

Nan, Feng; Moghadasi, Mohammad; Vakili, Pirooz; Vajda, Sandor; Kozakov, Dima; Ch. Paschalidis, Ioannis

2015-01-01

We propose a new stochastic global optimization method targeting protein docking problems. The method is based on finding a general convex polynomial underestimator to the binding energy function in a permissive subspace that possesses a funnel-like structure. We use Principal Component Analysis (PCA) to determine such permissive subspaces. The problem of finding the general convex polynomial underestimator is reduced into the problem of ensuring that a certain polynomial is a Sum-of-Squares (SOS), which can be done via semi-definite programming. The underestimator is then used to bias sampling of the energy function in order to recover a deep minimum. We show that the proposed method significantly improves the quality of docked conformations compared to existing methods. PMID:25914440

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.

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

General subspace learning with corrupted training data via graph embedding.

PubMed

Bao, Bing-Kun; Liu, Guangcan; Hong, Richang; Yan, Shuicheng; Xu, Changsheng

2013-11-01

We address the following subspace learning problem: supposing we are given a set of labeled, corrupted training data points, how to learn the underlying subspace, which contains three components: an intrinsic subspace that captures certain desired properties of a data set, a penalty subspace that fits the undesired properties of the data, and an error container that models the gross corruptions possibly existing in the data. Given a set of data points, these three components can be learned by solving a nuclear norm regularized optimization problem, which is convex and can be efficiently solved in polynomial time. Using the method as a tool, we propose a new discriminant analysis (i.e., supervised subspace learning) algorithm called Corruptions Tolerant Discriminant Analysis (CTDA), in which the intrinsic subspace is used to capture the features with high within-class similarity, the penalty subspace takes the role of modeling the undesired features with high between-class similarity, and the error container takes charge of fitting the possible corruptions in the data. We show that CTDA can well handle the gross corruptions possibly existing in the training data, whereas previous linear discriminant analysis algorithms arguably fail in such a setting. Extensive experiments conducted on two benchmark human face data sets and one object recognition data set show that CTDA outperforms the related algorithms.

Koopman Invariant Subspaces and Finite Linear Representations of Nonlinear Dynamical Systems for Control

PubMed Central

Brunton, Steven L.; Brunton, Bingni W.; Proctor, Joshua L.; Kutz, J. Nathan

2016-01-01

In this work, we explore finite-dimensional linear representations of nonlinear dynamical systems by restricting the Koopman operator to an invariant subspace spanned by specially chosen observable functions. The Koopman operator is an infinite-dimensional linear operator that evolves functions of the state of a dynamical system. Dominant terms in the Koopman expansion are typically computed using dynamic mode decomposition (DMD). DMD uses linear measurements of the state variables, and it has recently been shown that this may be too restrictive for nonlinear systems. Choosing the right nonlinear observable functions to form an invariant subspace where it is possible to obtain linear reduced-order models, especially those that are useful for control, is an open challenge. Here, we investigate the choice of observable functions for Koopman analysis that enable the use of optimal linear control techniques on nonlinear problems. First, to include a cost on the state of the system, as in linear quadratic regulator (LQR) control, it is helpful to include these states in the observable subspace, as in DMD. However, we find that this is only possible when there is a single isolated fixed point, as systems with multiple fixed points or more complicated attractors are not globally topologically conjugate to a finite-dimensional linear system, and cannot be represented by a finite-dimensional linear Koopman subspace that includes the state. We then present a data-driven strategy to identify relevant observable functions for Koopman analysis by leveraging a new algorithm to determine relevant terms in a dynamical system by ℓ1-regularized regression of the data in a nonlinear function space; we also show how this algorithm is related to DMD. Finally, we demonstrate the usefulness of nonlinear observable subspaces in the design of Koopman operator optimal control laws for fully nonlinear systems using techniques from linear optimal control. PMID:26919740

Active subspace: toward scalable low-rank learning.

PubMed

Liu, Guangcan; Yan, Shuicheng

2012-12-01

We address the scalability issues in low-rank matrix learning problems. Usually these problems resort to solving nuclear norm regularized optimization problems (NNROPs), which often suffer from high computational complexities if based on existing solvers, especially in large-scale settings. Based on the fact that the optimal solution matrix to an NNROP is often low rank, we revisit the classic mechanism of low-rank matrix factorization, based on which we present an active subspace algorithm for efficiently solving NNROPs by transforming large-scale NNROPs into small-scale problems. The transformation is achieved by factorizing the large solution matrix into the product of a small orthonormal matrix (active subspace) and another small matrix. Although such a transformation generally leads to nonconvex problems, we show that a suboptimal solution can be found by the augmented Lagrange alternating direction method. For the robust PCA (RPCA) (Candès, Li, Ma, & Wright, 2009 ) problem, a typical example of NNROPs, theoretical results verify the suboptimality of the solution produced by our algorithm. For the general NNROPs, we empirically show that our algorithm significantly reduces the computational complexity without loss of optimality.

Simulation of Quantum Many-Body Dynamics for Generic Strongly-Interacting Systems

NASA Astrophysics Data System (ADS)

Meyer, Gregory; Machado, Francisco; Yao, Norman

2017-04-01

Recent experimental advances have enabled the bottom-up assembly of complex, strongly interacting quantum many-body systems from individual atoms, ions, molecules and photons. These advances open the door to studying dynamics in isolated quantum systems as well as the possibility of realizing novel out-of-equilibrium phases of matter. Numerical studies provide insight into these systems; however, computational time and memory usage limit common numerical methods such as exact diagonalization to relatively small Hilbert spaces of dimension 215 . Here we present progress toward a new software package for dynamical time evolution of large generic quantum systems on massively parallel computing architectures. By projecting large sparse Hamiltonians into a much smaller Krylov subspace, we are able to compute the evolution of strongly interacting systems with Hilbert space dimension nearing 230. We discuss and benchmark different design implementations, such as matrix-free methods and GPU based calculations, using both pre-thermal time crystals and the Sachdev-Ye-Kitaev model as examples. We also include a simple symbolic language to describe generic Hamiltonians, allowing simulation of diverse quantum systems without any modification of the underlying C and Fortran code.

Flexible multibody simulation of automotive systems with non-modal model reduction techniques

NASA Astrophysics Data System (ADS)

Shiiba, Taichi; Fehr, Jörg; Eberhard, Peter

2012-12-01

The stiffness of the body structure of an automobile has a strong relationship with its noise, vibration, and harshness (NVH) characteristics. In this paper, the effect of the stiffness of the body structure upon ride quality is discussed with flexible multibody dynamics. In flexible multibody simulation, the local elastic deformation of the vehicle has been described traditionally with modal shape functions. Recently, linear model reduction techniques from system dynamics and mathematics came into the focus to find more sophisticated elastic shape functions. In this work, the NVH-relevant states of a racing kart are simulated, whereas the elastic shape functions are calculated with modern model reduction techniques like moment matching by projection on Krylov-subspaces, singular value decomposition-based reduction techniques, and combinations of those. The whole elastic multibody vehicle model consisting of tyres, steering, axle, etc. is considered, and an excitation with a vibration characteristics in a wide frequency range is evaluated in this paper. The accuracy and the calculation performance of those modern model reduction techniques is investigated including a comparison of the modal reduction approach.

Linear solver performance in elastoplastic problem solution on GPU cluster

NASA Astrophysics Data System (ADS)

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

2017-12-01

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

A Generalized Perturbation Theory Solver In Rattlesnake Based On PETSc With Application To TREAT Steady State Uncertainty Quantification

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

Schunert, Sebastian; Wang, Congjian; Wang, Yaqi

Rattlesnake and MAMMOTH are the designated TREAT analysis tools currently being developed at the Idaho National Laboratory. Concurrent with development of the multi-physics, multi-scale capabilities, sensitivity analysis and uncertainty quantification (SA/UQ) capabilities are required for predicitive modeling of the TREAT reactor. For steady-state SA/UQ, that is essential for setting initial conditions for the transients, generalized perturbation theory (GPT) will be used. This work describes the implementation of a PETSc based solver for the generalized adjoint equations that constitute a inhomogeneous, rank deficient problem. The standard approach is to use an outer iteration strategy with repeated removal of the fundamental modemore » contamination. The described GPT algorithm directly solves the GPT equations without the need of an outer iteration procedure by using Krylov subspaces that are orthogonal to the operator’s nullspace. Three test problems are solved and provide sufficient verification for the Rattlesnake’s GPT capability. We conclude with a preliminary example evaluating the impact of the Boron distribution in the TREAT reactor using perturbation theory.« less

Fast solution of elliptic partial differential equations using linear combinations of plane waves.

PubMed

Pérez-Jordá, José M

2016-02-01

Given an arbitrary elliptic partial differential equation (PDE), a procedure for obtaining its solution is proposed based on the method of Ritz: the solution is written as a linear combination of plane waves and the coefficients are obtained by variational minimization. The PDE to be solved is cast as a system of linear equations Ax=b, where the matrix A is not sparse, which prevents the straightforward application of standard iterative methods in order to solve it. This sparseness problem can be circumvented by means of a recursive bisection approach based on the fast Fourier transform, which makes it possible to implement fast versions of some stationary iterative methods (such as Gauss-Seidel) consuming O(NlogN) memory and executing an iteration in O(Nlog(2)N) time, N being the number of plane waves used. In a similar way, fast versions of Krylov subspace methods and multigrid methods can also be implemented. These procedures are tested on Poisson's equation expressed in adaptive coordinates. It is found that the best results are obtained with the GMRES method using a multigrid preconditioner with Gauss-Seidel relaxation steps.

Efficient variable time-stepping scheme for intense field-atom interactions

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

Cerjan, C.; Kosloff, R.

1993-03-01

The recently developed Residuum method [Tal-Ezer, Kosloff, and Cerjan, J. Comput. Phys. 100, 179 (1992)], a Krylov subspace technique with variable time-step integration for the solution of the time-dependent Schroedinger equation, is applied to the frequently used soft Coulomb potential in an intense laser field. This one-dimensional potential has asymptotic Coulomb dependence with a softened'' singularity at the origin; thus it models more realistic phenomena. Two of the more important quantities usually calculated in this idealized system are the photoelectron and harmonic photon generation spectra. These quantities are shown to be sensitive to the choice of a numerical integration scheme:more » some spectral features are incorrectly calculated or missing altogether. Furthermore, the Residuum method allows much larger grid spacings for equivalent or higher accuracy in addition to the advantages of variable time stepping. Finally, it is demonstrated that enhanced high-order harmonic generation accompanies intense field stabilization and that preparation of the atom in an intermediate Rydberg state leads to stabilization at much lower laser intensity.« less

Power flow prediction in vibrating systems via model reduction

NASA Astrophysics Data System (ADS)

Li, Xianhui

This dissertation focuses on power flow prediction in vibrating systems. Reduced order models (ROMs) are built based on rational Krylov model reduction which preserve power flow information in the original systems over a specified frequency band. Stiffness and mass matrices of the ROMs are obtained by projecting the original system matrices onto the subspaces spanned by forced responses. A matrix-free algorithm is designed to construct ROMs directly from the power quantities at selected interpolation frequencies. Strategies for parallel implementation of the algorithm via message passing interface are proposed. The quality of ROMs is iteratively refined according to the error estimate based on residual norms. Band capacity is proposed to provide a priori estimate of the sizes of good quality ROMs. Frequency averaging is recast as ensemble averaging and Cauchy distribution is used to simplify the computation. Besides model reduction for deterministic systems, details of constructing ROMs for parametric and nonparametric random systems are also presented. Case studies have been conducted on testbeds from Harwell-Boeing collections. Input and coupling power flow are computed for the original systems and the ROMs. Good agreement is observed in all cases.

SNP selection and classification of genome-wide SNP data using stratified sampling random forests.

PubMed

Wu, Qingyao; Ye, Yunming; Liu, Yang; Ng, Michael K

2012-09-01

For high dimensional genome-wide association (GWA) case-control data of complex disease, there are usually a large portion of single-nucleotide polymorphisms (SNPs) that are irrelevant with the disease. A simple random sampling method in random forest using default mtry parameter to choose feature subspace, will select too many subspaces without informative SNPs. Exhaustive searching an optimal mtry is often required in order to include useful and relevant SNPs and get rid of vast of non-informative SNPs. However, it is too time-consuming and not favorable in GWA for high-dimensional data. The main aim of this paper is to propose a stratified sampling method for feature subspace selection to generate decision trees in a random forest for GWA high-dimensional data. Our idea is to design an equal-width discretization scheme for informativeness to divide SNPs into multiple groups. In feature subspace selection, we randomly select the same number of SNPs from each group and combine them to form a subspace to generate a decision tree. The advantage of this stratified sampling procedure can make sure each subspace contains enough useful SNPs, but can avoid a very high computational cost of exhaustive search of an optimal mtry, and maintain the randomness of a random forest. We employ two genome-wide SNP data sets (Parkinson case-control data comprised of 408 803 SNPs and Alzheimer case-control data comprised of 380 157 SNPs) to demonstrate that the proposed stratified sampling method is effective, and it can generate better random forest with higher accuracy and lower error bound than those by Breiman's random forest generation method. For Parkinson data, we also show some interesting genes identified by the method, which may be associated with neurological disorders for further biological investigations.

Fully Implicit, Nonlinear 3D Extended Magnetohydrodynamics

NASA Astrophysics Data System (ADS)

Chacon, Luis; Knoll, Dana

2003-10-01

Extended magnetohydrodynamics (XMHD) includes nonideal effects such as nonlinear, anisotropic transport and two-fluid (Hall) effects. XMHD supports multiple, separate time scales that make explicit time differencing approaches extremely inefficient. While a fully implicit implementation promises efficiency without sacrificing numerical accuracy,(D. A. Knoll et al., phJ. Comput. Phys.) 185 (2), 583-611 (2003) the nonlinear nature of the XMHD system and the numerical stiffness associated with the fast waves make this endeavor difficult. Newton-Krylov methods are, however, ideally suited for such a task. These synergistically combine Newton's method for nonlinear convergence, and Krylov techniques to solve the associated Jacobian (linear) systems. Krylov methods can be implemented Jacobian-free and can be preconditioned for efficiency. Successful preconditioning strategies have been developed for 2D incompressible resistive(L. Chacón et al., phJ. Comput. Phys). 178 (1), 15- 36 (2002) and Hall(L. Chacón and D. A. Knoll, phJ. Comput. Phys.), 188 (2), 573-592 (2003) MHD models. These are based on ``physics-based'' ideas, in which knowledge of the physics is exploited to derive well-conditioned (diagonally-dominant) approximations to the original system that are amenable to optimal solver technologies (multigrid). In this work, we will describe the status of the extension of the 2D preconditioning ideas for a 3D compressible, single-fluid XMHD model.

Active Subspaces of Airfoil Shape Parameterizations

NASA Astrophysics Data System (ADS)

Grey, Zachary J.; Constantine, Paul G.

2018-05-01

Design and optimization benefit from understanding the dependence of a quantity of interest (e.g., a design objective or constraint function) on the design variables. A low-dimensional active subspace, when present, identifies important directions in the space of design variables; perturbing a design along the active subspace associated with a particular quantity of interest changes that quantity more, on average, than perturbing the design orthogonally to the active subspace. This low-dimensional structure provides insights that characterize the dependence of quantities of interest on design variables. Airfoil design in a transonic flow field with a parameterized geometry is a popular test problem for design methodologies. We examine two particular airfoil shape parameterizations, PARSEC and CST, and study the active subspaces present in two common design quantities of interest, transonic lift and drag coefficients, under each shape parameterization. We mathematically relate the two parameterizations with a common polynomial series. The active subspaces enable low-dimensional approximations of lift and drag that relate to physical airfoil properties. In particular, we obtain and interpret a two-dimensional approximation of both transonic lift and drag, and we show how these approximation inform a multi-objective design problem.

Integrated feature extraction and selection for neuroimage classification

NASA Astrophysics Data System (ADS)

Fan, Yong; Shen, Dinggang

2009-02-01

Feature extraction and selection are of great importance in neuroimage classification for identifying informative features and reducing feature dimensionality, which are generally implemented as two separate steps. This paper presents an integrated feature extraction and selection algorithm with two iterative steps: constrained subspace learning based feature extraction and support vector machine (SVM) based feature selection. The subspace learning based feature extraction focuses on the brain regions with higher possibility of being affected by the disease under study, while the possibility of brain regions being affected by disease is estimated by the SVM based feature selection, in conjunction with SVM classification. This algorithm can not only take into account the inter-correlation among different brain regions, but also overcome the limitation of traditional subspace learning based feature extraction methods. To achieve robust performance and optimal selection of parameters involved in feature extraction, selection, and classification, a bootstrapping strategy is used to generate multiple versions of training and testing sets for parameter optimization, according to the classification performance measured by the area under the ROC (receiver operating characteristic) curve. The integrated feature extraction and selection method is applied to a structural MR image based Alzheimer's disease (AD) study with 98 non-demented and 100 demented subjects. Cross-validation results indicate that the proposed algorithm can improve performance of the traditional subspace learning based classification.

Conjunctive patches subspace learning with side information for collaborative image retrieval.

PubMed

Zhang, Lining; Wang, Lipo; Lin, Weisi

2012-08-01

Content-Based Image Retrieval (CBIR) has attracted substantial attention during the past few years for its potential practical applications to image management. A variety of Relevance Feedback (RF) schemes have been designed to bridge the semantic gap between the low-level visual features and the high-level semantic concepts for an image retrieval task. Various Collaborative Image Retrieval (CIR) schemes aim to utilize the user historical feedback log data with similar and dissimilar pairwise constraints to improve the performance of a CBIR system. However, existing subspace learning approaches with explicit label information cannot be applied for a CIR task, although the subspace learning techniques play a key role in various computer vision tasks, e.g., face recognition and image classification. In this paper, we propose a novel subspace learning framework, i.e., Conjunctive Patches Subspace Learning (CPSL) with side information, for learning an effective semantic subspace by exploiting the user historical feedback log data for a CIR task. The CPSL can effectively integrate the discriminative information of labeled log images, the geometrical information of labeled log images and the weakly similar information of unlabeled images together to learn a reliable subspace. We formally formulate this problem into a constrained optimization problem and then present a new subspace learning technique to exploit the user historical feedback log data. Extensive experiments on both synthetic data sets and a real-world image database demonstrate the effectiveness of the proposed scheme in improving the performance of a CBIR system by exploiting the user historical feedback log data.

Spectral functions with the density matrix renormalization group: Krylov-space approach for correction vectors

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

None, None

Frequency-dependent correlations, such as the spectral function and the dynamical structure factor, help illustrate condensed matter experiments. Within the density matrix renormalization group (DMRG) framework, an accurate method for calculating spectral functions directly in frequency is the correction-vector method. The correction vector can be computed by solving a linear equation or by minimizing a functional. Our paper proposes an alternative to calculate the correction vector: to use the Krylov-space approach. This paper also studies the accuracy and performance of the Krylov-space approach, when applied to the Heisenberg, the t-J, and the Hubbard models. The cases we studied indicate that themore » Krylov-space approach can be more accurate and efficient than the conjugate gradient, and that the error of the former integrates best when a Krylov-space decomposition is also used for ground state DMRG.« less

Spectral functions with the density matrix renormalization group: Krylov-space approach for correction vectors

DOE PAGES

None, None

2016-11-21

Frequency-dependent correlations, such as the spectral function and the dynamical structure factor, help illustrate condensed matter experiments. Within the density matrix renormalization group (DMRG) framework, an accurate method for calculating spectral functions directly in frequency is the correction-vector method. The correction vector can be computed by solving a linear equation or by minimizing a functional. Our paper proposes an alternative to calculate the correction vector: to use the Krylov-space approach. This paper also studies the accuracy and performance of the Krylov-space approach, when applied to the Heisenberg, the t-J, and the Hubbard models. The cases we studied indicate that themore » Krylov-space approach can be more accurate and efficient than the conjugate gradient, and that the error of the former integrates best when a Krylov-space decomposition is also used for ground state DMRG.« less

Randomized subspace-based robust principal component analysis for hyperspectral anomaly detection

NASA Astrophysics Data System (ADS)

Sun, Weiwei; Yang, Gang; Li, Jialin; Zhang, Dianfa

2018-01-01

A randomized subspace-based robust principal component analysis (RSRPCA) method for anomaly detection in hyperspectral imagery (HSI) is proposed. The RSRPCA combines advantages of randomized column subspace and robust principal component analysis (RPCA). It assumes that the background has low-rank properties, and the anomalies are sparse and do not lie in the column subspace of the background. First, RSRPCA implements random sampling to sketch the original HSI dataset from columns and to construct a randomized column subspace of the background. Structured random projections are also adopted to sketch the HSI dataset from rows. Sketching from columns and rows could greatly reduce the computational requirements of RSRPCA. Second, the RSRPCA adopts the columnwise RPCA (CWRPCA) to eliminate negative effects of sampled anomaly pixels and that purifies the previous randomized column subspace by removing sampled anomaly columns. The CWRPCA decomposes the submatrix of the HSI data into a low-rank matrix (i.e., background component), a noisy matrix (i.e., noise component), and a sparse anomaly matrix (i.e., anomaly component) with only a small proportion of nonzero columns. The algorithm of inexact augmented Lagrange multiplier is utilized to optimize the CWRPCA problem and estimate the sparse matrix. Nonzero columns of the sparse anomaly matrix point to sampled anomaly columns in the submatrix. Third, all the pixels are projected onto the complemental subspace of the purified randomized column subspace of the background and the anomaly pixels in the original HSI data are finally exactly located. Several experiments on three real hyperspectral images are carefully designed to investigate the detection performance of RSRPCA, and the results are compared with four state-of-the-art methods. Experimental results show that the proposed RSRPCA outperforms four comparison methods both in detection performance and in computational time.

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

A Poisson nonnegative matrix factorization method with parameter subspace clustering constraint for endmember extraction in hyperspectral imagery

NASA Astrophysics Data System (ADS)

Sun, Weiwei; Ma, Jun; Yang, Gang; Du, Bo; Zhang, Liangpei

2017-06-01

A new Bayesian method named Poisson Nonnegative Matrix Factorization with Parameter Subspace Clustering Constraint (PNMF-PSCC) has been presented to extract endmembers from Hyperspectral Imagery (HSI). First, the method integrates the liner spectral mixture model with the Bayesian framework and it formulates endmember extraction into a Bayesian inference problem. Second, the Parameter Subspace Clustering Constraint (PSCC) is incorporated into the statistical program to consider the clustering of all pixels in the parameter subspace. The PSCC could enlarge differences among ground objects and helps finding endmembers with smaller spectrum divergences. Meanwhile, the PNMF-PSCC method utilizes the Poisson distribution as the prior knowledge of spectral signals to better explain the quantum nature of light in imaging spectrometer. Third, the optimization problem of PNMF-PSCC is formulated into maximizing the joint density via the Maximum A Posterior (MAP) estimator. The program is finally solved by iteratively optimizing two sub-problems via the Alternating Direction Method of Multipliers (ADMM) framework and the FURTHESTSUM initialization scheme. Five state-of-the art methods are implemented to make comparisons with the performance of PNMF-PSCC on both the synthetic and real HSI datasets. Experimental results show that the PNMF-PSCC outperforms all the five methods in Spectral Angle Distance (SAD) and Root-Mean-Square-Error (RMSE), and especially it could identify good endmembers for ground objects with smaller spectrum divergences.

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

Kılıç, Emre, E-mail: emre.kilic@tum.de; Eibert, Thomas F.

An approach combining boundary integral and finite element methods is introduced for the solution of three-dimensional inverse electromagnetic medium scattering problems. Based on the equivalence principle, unknown equivalent electric and magnetic surface current densities on a closed surface are utilized to decompose the inverse medium problem into two parts: a linear radiation problem and a nonlinear cavity problem. The first problem is formulated by a boundary integral equation, the computational burden of which is reduced by employing the multilevel fast multipole method (MLFMM). Reconstructed Cauchy data on the surface allows the utilization of the Lorentz reciprocity and the Poynting's theorems.more » Exploiting these theorems, the noise level and an initial guess are estimated for the cavity problem. Moreover, it is possible to determine whether the material is lossy or not. In the second problem, the estimated surface currents form inhomogeneous boundary conditions of the cavity problem. The cavity problem is formulated by the finite element technique and solved iteratively by the Gauss–Newton method to reconstruct the properties of the object. Regularization for both the first and the second problems is achieved by a Krylov subspace method. The proposed method is tested against both synthetic and experimental data and promising reconstruction results are obtained.« less

TranAir: A full-potential, solution-adaptive, rectangular grid code for predicting subsonic, transonic, and supersonic flows about arbitrary configurations. Theory document

NASA Technical Reports Server (NTRS)

Johnson, F. T.; Samant, S. S.; Bieterman, M. B.; Melvin, R. G.; Young, D. P.; Bussoletti, J. E.; Hilmes, C. L.

1992-01-01

A new computer program, called TranAir, for analyzing complex configurations in transonic flow (with subsonic or supersonic freestream) was developed. This program provides accurate and efficient simulations of nonlinear aerodynamic flows about arbitrary geometries with the ease and flexibility of a typical panel method program. The numerical method implemented in TranAir is described. The method solves the full potential equation subject to a set of general boundary conditions and can handle regions with differing total pressure and temperature. The boundary value problem is discretized using the finite element method on a locally refined rectangular grid. The grid is automatically constructed by the code and is superimposed on the boundary described by networks of panels; thus no surface fitted grid generation is required. The nonlinear discrete system arising from the finite element method is solved using a preconditioned Krylov subspace method embedded in an inexact Newton method. The solution is obtained on a sequence of successively refined grids which are either constructed adaptively based on estimated solution errors or are predetermined based on user inputs. Many results obtained by using TranAir to analyze aerodynamic configurations are presented.

Performance of fully-coupled algebraic multigrid preconditioners for large-scale VMS resistive MHD

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

Lin, P. T.; Shadid, J. N.; Hu, J. J.

Here, we explore the current performance and scaling of a fully-implicit stabilized unstructured finite element (FE) variational multiscale (VMS) capability for large-scale simulations of 3D incompressible resistive magnetohydrodynamics (MHD). The large-scale linear systems that are generated by a Newton nonlinear solver approach are iteratively solved by preconditioned Krylov subspace methods. The efficiency of this approach is critically dependent on the scalability and performance of the algebraic multigrid preconditioner. Our study considers the performance of the numerical methods as recently implemented in the second-generation Trilinos implementation that is 64-bit compliant and is not limited by the 32-bit global identifiers of themore » original Epetra-based Trilinos. The study presents representative results for a Poisson problem on 1.6 million cores of an IBM Blue Gene/Q platform to demonstrate very large-scale parallel execution. Additionally, results for a more challenging steady-state MHD generator and a transient solution of a benchmark MHD turbulence calculation for the full resistive MHD system are also presented. These results are obtained on up to 131,000 cores of a Cray XC40 and one million cores of a BG/Q system.« less

Performance of fully-coupled algebraic multigrid preconditioners for large-scale VMS resistive MHD

DOE PAGES

Lin, P. T.; Shadid, J. N.; Hu, J. J.; ...

2017-11-06

Here, we explore the current performance and scaling of a fully-implicit stabilized unstructured finite element (FE) variational multiscale (VMS) capability for large-scale simulations of 3D incompressible resistive magnetohydrodynamics (MHD). The large-scale linear systems that are generated by a Newton nonlinear solver approach are iteratively solved by preconditioned Krylov subspace methods. The efficiency of this approach is critically dependent on the scalability and performance of the algebraic multigrid preconditioner. Our study considers the performance of the numerical methods as recently implemented in the second-generation Trilinos implementation that is 64-bit compliant and is not limited by the 32-bit global identifiers of themore » original Epetra-based Trilinos. The study presents representative results for a Poisson problem on 1.6 million cores of an IBM Blue Gene/Q platform to demonstrate very large-scale parallel execution. Additionally, results for a more challenging steady-state MHD generator and a transient solution of a benchmark MHD turbulence calculation for the full resistive MHD system are also presented. These results are obtained on up to 131,000 cores of a Cray XC40 and one million cores of a BG/Q system.« less

Implicity restarted Arnoldi/Lanczos methods for large scale eigenvalue calculations

NASA Technical Reports Server (NTRS)

Sorensen, Danny C.

1996-01-01

Eigenvalues and eigenfunctions of linear operators are important to many areas of applied mathematics. The ability to approximate these quantities numerically is becoming increasingly important in a wide variety of applications. This increasing demand has fueled interest in the development of new methods and software for the numerical solution of large-scale algebraic eigenvalue problems. In turn, the existence of these new methods and software, along with the dramatically increased computational capabilities now available, has enabled the solution of problems that would not even have been posed five or ten years ago. Until very recently, software for large-scale nonsymmetric problems was virtually non-existent. Fortunately, the situation is improving rapidly. The purpose of this article is to provide an overview of the numerical solution of large-scale algebraic eigenvalue problems. The focus will be on a class of methods called Krylov subspace projection methods. The well-known Lanczos method is the premier member of this class. The Arnoldi method generalizes the Lanczos method to the nonsymmetric case. A recently developed variant of the Arnoldi/Lanczos scheme called the Implicitly Restarted Arnoldi Method is presented here in some depth. This method is highlighted because of its suitability as a basis for software development.

Helmholtz and parabolic equation solutions to a benchmark problem in ocean acoustics.

PubMed

Larsson, Elisabeth; Abrahamsson, Leif

2003-05-01

The Helmholtz equation (HE) describes wave propagation in applications such as acoustics and electromagnetics. For realistic problems, solving the HE is often too expensive. Instead, approximations like the parabolic wave equation (PE) are used. For low-frequency shallow-water environments, one persistent problem is to assess the accuracy of the PE model. In this work, a recently developed HE solver that can handle a smoothly varying bathymetry, variable material properties, and layered materials, is used for an investigation of the errors in PE solutions. In the HE solver, a preconditioned Krylov subspace method is applied to the discretized equations. The preconditioner combines domain decomposition and fast transform techniques. A benchmark problem with upslope-downslope propagation over a penetrable lossy seamount is solved. The numerical experiments show that, for the same bathymetry, a soft and slow bottom gives very similar HE and PE solutions, whereas the PE model is far from accurate for a hard and fast bottom. A first attempt to estimate the error is made by computing the relative deviation from the energy balance for the PE solution. This measure gives an indication of the magnitude of the error, but cannot be used as a strict error bound.

Parallel Dynamics Simulation Using a Krylov-Schwarz Linear Solution Scheme

DOE PAGES

Abhyankar, Shrirang; Constantinescu, Emil M.; Smith, Barry F.; ...

2016-11-07

Fast dynamics simulation of large-scale power systems is a computational challenge because of the need to solve a large set of stiff, nonlinear differential-algebraic equations at every time step. The main bottleneck in dynamic simulations is the solution of a linear system during each nonlinear iteration of Newton’s method. In this paper, we present a parallel Krylov- Schwarz linear solution scheme that uses the Krylov subspacebased iterative linear solver GMRES with an overlapping restricted additive Schwarz preconditioner. As a result, performance tests of the proposed Krylov-Schwarz scheme for several large test cases ranging from 2,000 to 20,000 buses, including amore » real utility network, show good scalability on different computing architectures.« less

Parallel Dynamics Simulation Using a Krylov-Schwarz Linear Solution Scheme

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

Abhyankar, Shrirang; Constantinescu, Emil M.; Smith, Barry F.

Fast dynamics simulation of large-scale power systems is a computational challenge because of the need to solve a large set of stiff, nonlinear differential-algebraic equations at every time step. The main bottleneck in dynamic simulations is the solution of a linear system during each nonlinear iteration of Newton’s method. In this paper, we present a parallel Krylov- Schwarz linear solution scheme that uses the Krylov subspacebased iterative linear solver GMRES with an overlapping restricted additive Schwarz preconditioner. As a result, performance tests of the proposed Krylov-Schwarz scheme for several large test cases ranging from 2,000 to 20,000 buses, including amore » real utility network, show good scalability on different computing architectures.« less

Structured sparse linear graph embedding.

PubMed

Wang, Haixian

2012-03-01

Subspace learning is a core issue in pattern recognition and machine learning. Linear graph embedding (LGE) is a general framework for subspace learning. In this paper, we propose a structured sparse extension to LGE (SSLGE) by introducing a structured sparsity-inducing norm into LGE. Specifically, SSLGE casts the projection bases learning into a regression-type optimization problem, and then the structured sparsity regularization is applied to the regression coefficients. The regularization selects a subset of features and meanwhile encodes high-order information reflecting a priori structure information of the data. The SSLGE technique provides a unified framework for discovering structured sparse subspace. Computationally, by using a variational equality and the Procrustes transformation, SSLGE is efficiently solved with closed-form updates. Experimental results on face image show the effectiveness of the proposed method. Copyright © 2011 Elsevier Ltd. All rights reserved.

Truncated Conjugate Gradient: An Optimal Strategy for the Analytical Evaluation of the Many-Body Polarization Energy and Forces in Molecular Simulations.

PubMed

Aviat, Félix; Levitt, Antoine; Stamm, Benjamin; Maday, Yvon; Ren, Pengyu; Ponder, Jay W; Lagardère, Louis; Piquemal, Jean-Philip

2017-01-10

We introduce a new class of methods, denoted as Truncated Conjugate Gradient(TCG), to solve the many-body polarization energy and its associated forces in molecular simulations (i.e. molecular dynamics (MD) and Monte Carlo). The method consists in a fixed number of Conjugate Gradient (CG) iterations. TCG approaches provide a scalable solution to the polarization problem at a user-chosen cost and a corresponding optimal accuracy. The optimality of the CG-method guarantees that the number of the required matrix-vector products are reduced to a minimum compared to other iterative methods. This family of methods is non-empirical, fully adaptive, and provides analytical gradients, avoiding therefore any energy drift in MD as compared to popular iterative solvers. Besides speed, one great advantage of this class of approximate methods is that their accuracy is systematically improvable. Indeed, as the CG-method is a Krylov subspace method, the associated error is monotonically reduced at each iteration. On top of that, two improvements can be proposed at virtually no cost: (i) the use of preconditioners can be employed, which leads to the Truncated Preconditioned Conjugate Gradient (TPCG); (ii) since the residual of the final step of the CG-method is available, one additional Picard fixed point iteration ("peek"), equivalent to one step of Jacobi Over Relaxation (JOR) with relaxation parameter ω, can be made at almost no cost. This method is denoted by TCG-n(ω). Black-box adaptive methods to find good choices of ω are provided and discussed. Results show that TPCG-3(ω) is converged to high accuracy (a few kcal/mol) for various types of systems including proteins and highly charged systems at the fixed cost of four matrix-vector products: three CG iterations plus the initial CG descent direction. Alternatively, T(P)CG-2(ω) provides robust results at a reduced cost (three matrix-vector products) and offers new perspectives for long polarizable MD as a production algorithm. The T(P)CG-1(ω) level provides less accurate solutions for inhomogeneous systems, but its applicability to well-conditioned problems such as water is remarkable, with only two matrix-vector product evaluations.

Truncated Conjugate Gradient: An Optimal Strategy for the Analytical Evaluation of the Many-Body Polarization Energy and Forces in Molecular Simulations

PubMed Central

2016-01-01

We introduce a new class of methods, denoted as Truncated Conjugate Gradient(TCG), to solve the many-body polarization energy and its associated forces in molecular simulations (i.e. molecular dynamics (MD) and Monte Carlo). The method consists in a fixed number of Conjugate Gradient (CG) iterations. TCG approaches provide a scalable solution to the polarization problem at a user-chosen cost and a corresponding optimal accuracy. The optimality of the CG-method guarantees that the number of the required matrix-vector products are reduced to a minimum compared to other iterative methods. This family of methods is non-empirical, fully adaptive, and provides analytical gradients, avoiding therefore any energy drift in MD as compared to popular iterative solvers. Besides speed, one great advantage of this class of approximate methods is that their accuracy is systematically improvable. Indeed, as the CG-method is a Krylov subspace method, the associated error is monotonically reduced at each iteration. On top of that, two improvements can be proposed at virtually no cost: (i) the use of preconditioners can be employed, which leads to the Truncated Preconditioned Conjugate Gradient (TPCG); (ii) since the residual of the final step of the CG-method is available, one additional Picard fixed point iteration (“peek”), equivalent to one step of Jacobi Over Relaxation (JOR) with relaxation parameter ω, can be made at almost no cost. This method is denoted by TCG-n(ω). Black-box adaptive methods to find good choices of ω are provided and discussed. Results show that TPCG-3(ω) is converged to high accuracy (a few kcal/mol) for various types of systems including proteins and highly charged systems at the fixed cost of four matrix-vector products: three CG iterations plus the initial CG descent direction. Alternatively, T(P)CG-2(ω) provides robust results at a reduced cost (three matrix-vector products) and offers new perspectives for long polarizable MD as a production algorithm. The T(P)CG-1(ω) level provides less accurate solutions for inhomogeneous systems, but its applicability to well-conditioned problems such as water is remarkable, with only two matrix-vector product evaluations. PMID:28068773

Robust Adaptive Beamforming with Sensor Position Errors Using Weighted Subspace Fitting-Based Covariance Matrix Reconstruction.

PubMed

Chen, Peng; Yang, Yixin; Wang, Yong; Ma, Yuanliang

2018-05-08

When sensor position errors exist, the performance of recently proposed interference-plus-noise covariance matrix (INCM)-based adaptive beamformers may be severely degraded. In this paper, we propose a weighted subspace fitting-based INCM reconstruction algorithm to overcome sensor displacement for linear arrays. By estimating the rough signal directions, we construct a novel possible mismatched steering vector (SV) set. We analyze the proximity of the signal subspace from the sample covariance matrix (SCM) and the space spanned by the possible mismatched SV set. After solving an iterative optimization problem, we reconstruct the INCM using the estimated sensor position errors. Then we estimate the SV of the desired signal by solving an optimization problem with the reconstructed INCM. The main advantage of the proposed algorithm is its robustness against SV mismatches dominated by unknown sensor position errors. Numerical examples show that even if the position errors are up to half of the assumed sensor spacing, the output signal-to-interference-plus-noise ratio is only reduced by 4 dB. Beam patterns plotted using experiment data show that the interference suppression capability of the proposed beamformer outperforms other tested beamformers.

Discrete Optimization of Electronic Hyperpolarizabilities in a Chemical Subspace

DTIC Science & Technology

2009-05-01

molecular design. Methods for optimization in discrete spaces have been studied extensively and recently reviewed ( 5). Optimization methods include...integer programming, as in branch-and-bound techniques (including dead-end elimination [ 6]), simulated annealing ( 7), and genetic algorithms ( 8...These algorithms have found renewed interest and application in molecular and materials design (9- 12) . Recently, new approaches have been

A hybrid approach to generating search subspaces in dynamically constrained 4-dimensional data assimilation

NASA Astrophysics Data System (ADS)

Yaremchuk, Max; Martin, Paul; Beattie, Christopher

2017-09-01

Development and maintenance of the linearized and adjoint code for advanced circulation models is a challenging issue, requiring a significant proportion of total effort in operational data assimilation (DA). The ensemble-based DA techniques provide a derivative-free alternative, which appears to be competitive with variational methods in many practical applications. This article proposes a hybrid scheme for generating the search subspaces in the adjoint-free 4-dimensional DA method (a4dVar) that does not use a predefined ensemble. The method resembles 4dVar in that the optimal solution is strongly constrained by model dynamics and search directions are supplied iteratively using information from the current and previous model trajectories generated in the process of optimization. In contrast to 4dVar, which produces a single search direction from exact gradient information, a4dVar employs an ensemble of directions to form a subspace in order to proceed. In the earlier versions of a4dVar, search subspaces were built using the leading EOFs of either the model trajectory or the projections of the model-data misfits onto the range of the background error covariance (BEC) matrix at the current iteration. In the present study, we blend both approaches and explore a hybrid scheme of ensemble generation in order to improve the performance and flexibility of the algorithm. In addition, we introduce balance constraints into the BEC structure and periodically augment the search ensemble with BEC eigenvectors to avoid repeating minimization over already explored subspaces. Performance of the proposed hybrid a4dVar (ha4dVar) method is compared with that of standard 4dVar in a realistic regional configuration assimilating real data into the Navy Coastal Ocean Model (NCOM). It is shown that the ha4dVar converges faster than a4dVar and can be potentially competitive with 4dvar both in terms of the required computational time and the forecast skill.

Unstructured Cartesian refinement with sharp interface immersed boundary method for 3D unsteady incompressible flows

NASA Astrophysics Data System (ADS)

Angelidis, Dionysios; Chawdhary, Saurabh; Sotiropoulos, Fotis

2016-11-01

A novel numerical method is developed for solving the 3D, unsteady, incompressible Navier-Stokes equations on locally refined fully unstructured Cartesian grids in domains with arbitrarily complex immersed boundaries. Owing to the utilization of the fractional step method on an unstructured Cartesian hybrid staggered/non-staggered grid layout, flux mismatch and pressure discontinuity issues are avoided and the divergence free constraint is inherently satisfied to machine zero. Auxiliary/hanging nodes are used to facilitate the discretization of the governing equations. The second-order accuracy of the solver is ensured by using multi-dimension Lagrange interpolation operators and appropriate differencing schemes at the interface of regions with different levels of refinement. The sharp interface immersed boundary method is augmented with local near-boundary refinement to handle arbitrarily complex boundaries. The discrete momentum equation is solved with the matrix free Newton-Krylov method and the Krylov-subspace method is employed to solve the Poisson equation. The second-order accuracy of the proposed method on unstructured Cartesian grids is demonstrated by solving the Poisson equation with a known analytical solution. A number of three-dimensional laminar flow simulations of increasing complexity illustrate the ability of the method to handle flows across a range of Reynolds numbers and flow regimes. Laminar steady and unsteady flows past a sphere and the oblique vortex shedding from a circular cylinder mounted between two end walls demonstrate the accuracy, the efficiency and the smooth transition of scales and coherent structures across refinement levels. Large-eddy simulation (LES) past a miniature wind turbine rotor, parameterized using the actuator line approach, indicates the ability of the fully unstructured solver to simulate complex turbulent flows. Finally, a geometry resolving LES of turbulent flow past a complete hydrokinetic turbine illustrates the potential of the method to simulate turbulent flows past geometrically complex bodies on locally refined meshes. In all the cases, the results are found to be in very good agreement with published data and savings in computational resources are achieved.

Comparison between iteration schemes for three-dimensional coordinate-transformed saturated-unsaturated flow model

NASA Astrophysics Data System (ADS)

An, Hyunuk; Ichikawa, Yutaka; Tachikawa, Yasuto; Shiiba, Michiharu

2012-11-01

SummaryThree different iteration methods for a three-dimensional coordinate-transformed saturated-unsaturated flow model are compared in this study. The Picard and Newton iteration methods are the common approaches for solving Richards' equation. The Picard method is simple to implement and cost-efficient (on an individual iteration basis). However it converges slower than the Newton method. On the other hand, although the Newton method converges faster, it is more complex to implement and consumes more CPU resources per iteration than the Picard method. The comparison of the two methods in finite-element model (FEM) for saturated-unsaturated flow has been well evaluated in previous studies. However, two iteration methods might exhibit different behavior in the coordinate-transformed finite-difference model (FDM). In addition, the Newton-Krylov method could be a suitable alternative for the coordinate-transformed FDM because it requires the evaluation of a 19-point stencil matrix. The formation of a 19-point stencil is quite a complex and laborious procedure. Instead, the Newton-Krylov method calculates the matrix-vector product, which can be easily approximated by calculating the differences of the original nonlinear function. In this respect, the Newton-Krylov method might be the most appropriate iteration method for coordinate-transformed FDM. However, this method involves the additional cost of taking an approximation at each Krylov iteration in the Newton-Krylov method. In this paper, we evaluated the efficiency and robustness of three iteration methods—the Picard, Newton, and Newton-Krylov methods—for simulating saturated-unsaturated flow through porous media using a three-dimensional coordinate-transformed FDM.

General purpose nonlinear system solver based on Newton-Krylov method.

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

2013-12-01

KINSOL is part of a software family called SUNDIALS: SUite of Nonlinear and Differential/Algebraic equation Solvers [1]. KINSOL is a general-purpose nonlinear system solver based on Newton-Krylov and fixed-point solver technologies [2].

Using parallel banded linear system solvers in generalized eigenvalue problems

NASA Technical Reports Server (NTRS)

Zhang, Hong; Moss, William F.

1993-01-01

Subspace iteration is a reliable and cost effective method for solving positive definite banded symmetric generalized eigenproblems, especially in the case of large scale problems. This paper discusses an algorithm that makes use of two parallel banded solvers in subspace iteration. A shift is introduced to decompose the banded linear systems into relatively independent subsystems and to accelerate the iterations. With this shift, an eigenproblem is mapped efficiently into the memories of a multiprocessor and a high speed-up is obtained for parallel implementations. An optimal shift is a shift that balances total computation and communication costs. Under certain conditions, we show how to estimate an optimal shift analytically using the decay rate for the inverse of a banded matrix, and how to improve this estimate. Computational results on iPSC/2 and iPSC/860 multiprocessors are presented.

The trust-region self-consistent field method in Kohn-Sham density-functional theory.

PubMed

Thøgersen, Lea; Olsen, Jeppe; Köhn, Andreas; Jørgensen, Poul; Sałek, Paweł; Helgaker, Trygve

2005-08-15

The trust-region self-consistent field (TRSCF) method is extended to the optimization of the Kohn-Sham energy. In the TRSCF method, both the Roothaan-Hall step and the density-subspace minimization step are replaced by trust-region optimizations of local approximations to the Kohn-Sham energy, leading to a controlled, monotonic convergence towards the optimized energy. Previously the TRSCF method has been developed for optimization of the Hartree-Fock energy, which is a simple quadratic function in the density matrix. However, since the Kohn-Sham energy is a nonquadratic function of the density matrix, the local energy functions must be generalized for use with the Kohn-Sham model. Such a generalization, which contains the Hartree-Fock model as a special case, is presented here. For comparison, a rederivation of the popular direct inversion in the iterative subspace (DIIS) algorithm is performed, demonstrating that the DIIS method may be viewed as a quasi-Newton method, explaining its fast local convergence. In the global region the convergence behavior of DIIS is less predictable. The related energy DIIS technique is also discussed and shown to be inappropriate for the optimization of the Kohn-Sham energy.

Collaboration space division in collaborative product development based on a genetic algorithm

NASA Astrophysics Data System (ADS)

Qian, Xueming; Ma, Yanqiao; Feng, Huan

2018-02-01

The advance in the global environment, rapidly changing markets, and information technology has created a new stage for design. In such an environment, one strategy for success is the Collaborative Product Development (CPD). Organizing people effectively is the goal of Collaborative Product Development, and it solves the problem with certain foreseeability. The development group activities are influenced not only by the methods and decisions available, but also by correlation among personnel. Grouping the personnel according to their correlation intensity is defined as collaboration space division (CSD). Upon establishment of a correlation matrix (CM) of personnel and an analysis of the collaboration space, the genetic algorithm (GA) and minimum description length (MDL) principle may be used as tools in optimizing collaboration space. The MDL principle is used in setting up an object function, and the GA is used as a methodology. The algorithm encodes spatial information as a chromosome in binary. After repetitious crossover, mutation, selection and multiplication, a robust chromosome is found, which can be decoded into an optimal collaboration space. This new method can calculate the members in sub-spaces and individual groupings within the staff. Furthermore, the intersection of sub-spaces and public persons belonging to all sub-spaces can be determined simultaneously.

Adaptive Implicit Non-Equilibrium Radiation Diffusion

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

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

2013-01-01

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

A Newton-Krylov method with an approximate analytical Jacobian for implicit solution of Navier-Stokes equations on staggered overset-curvilinear grids with immersed boundaries.

PubMed

Asgharzadeh, Hafez; Borazjani, Iman

2017-02-15

The explicit and semi-implicit schemes in flow simulations involving complex geometries and moving boundaries suffer from time-step size restriction and low convergence rates. Implicit schemes can be used to overcome these restrictions, but implementing them to solve the Navier-Stokes equations is not straightforward due to their non-linearity. Among the implicit schemes for nonlinear equations, Newton-based techniques are preferred over fixed-point techniques because of their high convergence rate but each Newton iteration is more expensive than a fixed-point iteration. Krylov subspace methods are one of the most advanced iterative methods that can be combined with Newton methods, i.e., Newton-Krylov Methods (NKMs) to solve non-linear systems of equations. The success of NKMs vastly depends on the scheme for forming the Jacobian, e.g., automatic differentiation is very expensive, and matrix-free methods without a preconditioner slow down as the mesh is refined. A novel, computationally inexpensive analytical Jacobian for NKM is developed to solve unsteady incompressible Navier-Stokes momentum equations on staggered overset-curvilinear grids with immersed boundaries. Moreover, the analytical Jacobian is used to form preconditioner for matrix-free method in order to improve its performance. The NKM with the analytical Jacobian was validated and verified against Taylor-Green vortex, inline oscillations of a cylinder in a fluid initially at rest, and pulsatile flow in a 90 degree bend. The capability of the method in handling complex geometries with multiple overset grids and immersed boundaries is shown by simulating an intracranial aneurysm. It was shown that the NKM with an analytical Jacobian is 1.17 to 14.77 times faster than the fixed-point Runge-Kutta method, and 1.74 to 152.3 times (excluding an intensively stretched grid) faster than automatic differentiation depending on the grid (size) and the flow problem. In addition, it was shown that using only the diagonal of the Jacobian further improves the performance by 42 - 74% compared to the full Jacobian. The NKM with an analytical Jacobian showed better performance than the fixed point Runge-Kutta because it converged with higher time steps and in approximately 30% less iterations even when the grid was stretched and the Reynold number was increased. In fact, stretching the grid decreased the performance of all methods, but the fixed-point Runge-Kutta performance decreased 4.57 and 2.26 times more than NKM with a diagonal Jacobian when the stretching factor was increased, respectively. The NKM with a diagonal analytical Jacobian and matrix-free method with an analytical preconditioner are the fastest methods and the superiority of one to another depends on the flow problem. Furthermore, the implemented methods are fully parallelized with parallel efficiency of 80-90% on the problems tested. The NKM with the analytical Jacobian can guide building preconditioners for other techniques to improve their performance in the future.

A Newton–Krylov method with an approximate analytical Jacobian for implicit solution of Navier–Stokes equations on staggered overset-curvilinear grids with immersed boundaries

PubMed Central

Asgharzadeh, Hafez; Borazjani, Iman

2016-01-01

The explicit and semi-implicit schemes in flow simulations involving complex geometries and moving boundaries suffer from time-step size restriction and low convergence rates. Implicit schemes can be used to overcome these restrictions, but implementing them to solve the Navier-Stokes equations is not straightforward due to their non-linearity. Among the implicit schemes for nonlinear equations, Newton-based techniques are preferred over fixed-point techniques because of their high convergence rate but each Newton iteration is more expensive than a fixed-point iteration. Krylov subspace methods are one of the most advanced iterative methods that can be combined with Newton methods, i.e., Newton-Krylov Methods (NKMs) to solve non-linear systems of equations. The success of NKMs vastly depends on the scheme for forming the Jacobian, e.g., automatic differentiation is very expensive, and matrix-free methods without a preconditioner slow down as the mesh is refined. A novel, computationally inexpensive analytical Jacobian for NKM is developed to solve unsteady incompressible Navier-Stokes momentum equations on staggered overset-curvilinear grids with immersed boundaries. Moreover, the analytical Jacobian is used to form preconditioner for matrix-free method in order to improve its performance. The NKM with the analytical Jacobian was validated and verified against Taylor-Green vortex, inline oscillations of a cylinder in a fluid initially at rest, and pulsatile flow in a 90 degree bend. The capability of the method in handling complex geometries with multiple overset grids and immersed boundaries is shown by simulating an intracranial aneurysm. It was shown that the NKM with an analytical Jacobian is 1.17 to 14.77 times faster than the fixed-point Runge-Kutta method, and 1.74 to 152.3 times (excluding an intensively stretched grid) faster than automatic differentiation depending on the grid (size) and the flow problem. In addition, it was shown that using only the diagonal of the Jacobian further improves the performance by 42 – 74% compared to the full Jacobian. The NKM with an analytical Jacobian showed better performance than the fixed point Runge-Kutta because it converged with higher time steps and in approximately 30% less iterations even when the grid was stretched and the Reynold number was increased. In fact, stretching the grid decreased the performance of all methods, but the fixed-point Runge-Kutta performance decreased 4.57 and 2.26 times more than NKM with a diagonal Jacobian when the stretching factor was increased, respectively. The NKM with a diagonal analytical Jacobian and matrix-free method with an analytical preconditioner are the fastest methods and the superiority of one to another depends on the flow problem. Furthermore, the implemented methods are fully parallelized with parallel efficiency of 80–90% on the problems tested. The NKM with the analytical Jacobian can guide building preconditioners for other techniques to improve their performance in the future. PMID:28042172

A Newton-Krylov method with an approximate analytical Jacobian for implicit solution of Navier-Stokes equations on staggered overset-curvilinear grids with immersed boundaries

NASA Astrophysics Data System (ADS)

Asgharzadeh, Hafez; Borazjani, Iman

2017-02-01

The explicit and semi-implicit schemes in flow simulations involving complex geometries and moving boundaries suffer from time-step size restriction and low convergence rates. Implicit schemes can be used to overcome these restrictions, but implementing them to solve the Navier-Stokes equations is not straightforward due to their non-linearity. Among the implicit schemes for non-linear equations, Newton-based techniques are preferred over fixed-point techniques because of their high convergence rate but each Newton iteration is more expensive than a fixed-point iteration. Krylov subspace methods are one of the most advanced iterative methods that can be combined with Newton methods, i.e., Newton-Krylov Methods (NKMs) to solve non-linear systems of equations. The success of NKMs vastly depends on the scheme for forming the Jacobian, e.g., automatic differentiation is very expensive, and matrix-free methods without a preconditioner slow down as the mesh is refined. A novel, computationally inexpensive analytical Jacobian for NKM is developed to solve unsteady incompressible Navier-Stokes momentum equations on staggered overset-curvilinear grids with immersed boundaries. Moreover, the analytical Jacobian is used to form a preconditioner for matrix-free method in order to improve its performance. The NKM with the analytical Jacobian was validated and verified against Taylor-Green vortex, inline oscillations of a cylinder in a fluid initially at rest, and pulsatile flow in a 90 degree bend. The capability of the method in handling complex geometries with multiple overset grids and immersed boundaries is shown by simulating an intracranial aneurysm. It was shown that the NKM with an analytical Jacobian is 1.17 to 14.77 times faster than the fixed-point Runge-Kutta method, and 1.74 to 152.3 times (excluding an intensively stretched grid) faster than automatic differentiation depending on the grid (size) and the flow problem. In addition, it was shown that using only the diagonal of the Jacobian further improves the performance by 42-74% compared to the full Jacobian. The NKM with an analytical Jacobian showed better performance than the fixed point Runge-Kutta because it converged with higher time steps and in approximately 30% less iterations even when the grid was stretched and the Reynold number was increased. In fact, stretching the grid decreased the performance of all methods, but the fixed-point Runge-Kutta performance decreased 4.57 and 2.26 times more than NKM with a diagonal and full Jacobian, respectivley, when the stretching factor was increased. The NKM with a diagonal analytical Jacobian and matrix-free method with an analytical preconditioner are the fastest methods and the superiority of one to another depends on the flow problem. Furthermore, the implemented methods are fully parallelized with parallel efficiency of 80-90% on the problems tested. The NKM with the analytical Jacobian can guide building preconditioners for other techniques to improve their performance in the future.

Heterogeneous Tensor Decomposition for Clustering via Manifold Optimization.

PubMed

Sun, Yanfeng; Gao, Junbin; Hong, Xia; Mishra, Bamdev; Yin, Baocai

2016-03-01

Tensor clustering is an important tool that exploits intrinsically rich structures in real-world multiarray or Tensor datasets. Often in dealing with those datasets, standard practice is to use subspace clustering that is based on vectorizing multiarray data. However, vectorization of tensorial data does not exploit complete structure information. In this paper, we propose a subspace clustering algorithm without adopting any vectorization process. Our approach is based on a novel heterogeneous Tucker decomposition model taking into account cluster membership information. We propose a new clustering algorithm that alternates between different modes of the proposed heterogeneous tensor model. All but the last mode have closed-form updates. Updating the last mode reduces to optimizing over the multinomial manifold for which we investigate second order Riemannian geometry and propose a trust-region algorithm. Numerical experiments show that our proposed algorithm compete effectively with state-of-the-art clustering algorithms that are based on tensor factorization.

An adaptive optimal control for smart structures based on the subspace tracking identification technique

NASA Astrophysics Data System (ADS)

Ripamonti, Francesco; Resta, Ferruccio; Borroni, Massimo; Cazzulani, Gabriele

2014-04-01

A new method for the real-time identification of mechanical system modal parameters is used in order to design different adaptive control logics aiming to reduce the vibrations in a carbon fiber plate smart structure. It is instrumented with three piezoelectric actuators, three accelerometers and three strain gauges. The real-time identification is based on a recursive subspace tracking algorithm whose outputs are elaborated by an ARMA model. A statistical approach is finally applied to choose the modal parameter correct values. These are given in input to model-based control logics such as a gain scheduling and an adaptive LQR control.

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

Lin, Paul T.; Shadid, John N.; Tsuji, Paul H.

Here, this study explores the performance and scaling of a GMRES Krylov method employed as a smoother for an algebraic multigrid (AMG) preconditioned Newton- Krylov solution approach applied to a fully-implicit variational multiscale (VMS) nite element (FE) resistive magnetohydrodynamics (MHD) formulation. In this context a Newton iteration is used for the nonlinear system and a Krylov (GMRES) method is employed for the linear subsystems. The efficiency of this approach is critically dependent on the scalability and performance of the AMG preconditioner for the linear solutions and the performance of the smoothers play a critical role. Krylov smoothers are considered inmore » an attempt to reduce the time and memory requirements of existing robust smoothers based on additive Schwarz domain decomposition (DD) with incomplete LU factorization solves on each subdomain. Three time dependent resistive MHD test cases are considered to evaluate the method. The results demonstrate that the GMRES smoother can be faster due to a decrease in the preconditioner setup time and a reduction in outer GMRESR solver iterations, and requires less memory (typically 35% less memory for global GMRES smoother) than the DD ILU smoother.« less

Similarity preserving low-rank representation for enhanced data representation and effective subspace learning.

PubMed

Zhang, Zhao; Yan, Shuicheng; Zhao, Mingbo

2014-05-01

Latent Low-Rank Representation (LatLRR) delivers robust and promising results for subspace recovery and feature extraction through mining the so-called hidden effects, but the locality of both similar principal and salient features cannot be preserved in the optimizations. To solve this issue for achieving enhanced performance, a boosted version of LatLRR, referred to as Regularized Low-Rank Representation (rLRR), is proposed through explicitly including an appropriate Laplacian regularization that can maximally preserve the similarity among local features. Resembling LatLRR, rLRR decomposes given data matrix from two directions by seeking a pair of low-rank matrices. But the similarities of principal and salient features can be effectively preserved by rLRR. As a result, the correlated features are well grouped and the robustness of representations is also enhanced. Based on the outputted bi-directional low-rank codes by rLRR, an unsupervised subspace learning framework termed Low-rank Similarity Preserving Projections (LSPP) is also derived for feature learning. The supervised extension of LSPP is also discussed for discriminant subspace learning. The validity of rLRR is examined by robust representation and decomposition of real images. Results demonstrated the superiority of our rLRR and LSPP in comparison to other related state-of-the-art algorithms. Copyright © 2014 Elsevier Ltd. All rights reserved.

Local sharpening and subspace wavefront correction with predictive dynamic digital holography

NASA Astrophysics Data System (ADS)

Sulaiman, Sennan; Gibson, Steve

2017-09-01

Digital holography holds several advantages over conventional imaging and wavefront sensing, chief among these being significantly fewer and simpler optical components and the retrieval of complex field. Consequently, many imaging and sensing applications including microscopy and optical tweezing have turned to using digital holography. A significant obstacle for digital holography in real-time applications, such as wavefront sensing for high energy laser systems and high speed imaging for target racking, is the fact that digital holography is computationally intensive; it requires iterative virtual wavefront propagation and hill-climbing to optimize some sharpness criteria. It has been shown recently that minimum-variance wavefront prediction can be integrated with digital holography and image sharpening to reduce significantly large number of costly sharpening iterations required to achieve near-optimal wavefront correction. This paper demonstrates further gains in computational efficiency with localized sharpening in conjunction with predictive dynamic digital holography for real-time applications. The method optimizes sharpness of local regions in a detector plane by parallel independent wavefront correction on reduced-dimension subspaces of the complex field in a spectral plane.

Separation of the atmospheric variability into non-Gaussian multidimensional sources by projection pursuit techniques

NASA Astrophysics Data System (ADS)

Pires, Carlos A. L.; Ribeiro, Andreia F. S.

2017-02-01

We develop an expansion of space-distributed time series into statistically independent uncorrelated subspaces (statistical sources) of low-dimension and exhibiting enhanced non-Gaussian probability distributions with geometrically simple chosen shapes (projection pursuit rationale). The method relies upon a generalization of the principal component analysis that is optimal for Gaussian mixed signals and of the independent component analysis (ICA), optimized to split non-Gaussian scalar sources. The proposed method, supported by information theory concepts and methods, is the independent subspace analysis (ISA) that looks for multi-dimensional, intrinsically synergetic subspaces such as dyads (2D) and triads (3D), not separable by ICA. Basically, we optimize rotated variables maximizing certain nonlinear correlations (contrast functions) coming from the non-Gaussianity of the joint distribution. As a by-product, it provides nonlinear variable changes `unfolding' the subspaces into nearly Gaussian scalars of easier post-processing. Moreover, the new variables still work as nonlinear data exploratory indices of the non-Gaussian variability of the analysed climatic and geophysical fields. The method (ISA, followed by nonlinear unfolding) is tested into three datasets. The first one comes from the Lorenz'63 three-dimensional chaotic model, showing a clear separation into a non-Gaussian dyad plus an independent scalar. The second one is a mixture of propagating waves of random correlated phases in which the emergence of triadic wave resonances imprints a statistical signature in terms of a non-Gaussian non-separable triad. Finally the method is applied to the monthly variability of a high-dimensional quasi-geostrophic (QG) atmospheric model, applied to the Northern Hemispheric winter. We find that quite enhanced non-Gaussian dyads of parabolic shape, perform much better than the unrotated variables in which concerns the separation of the four model's centroid regimes (positive and negative phases of the Arctic Oscillation and of the North Atlantic Oscillation). Triads are also likely in the QG model but of weaker expression than dyads due to the imposed shape and dimension. The study emphasizes the existence of nonlinear dyadic and triadic nonlinear teleconnections.

Information theoretic partitioning and confidence based weight assignment for multi-classifier decision level fusion in hyperspectral target recognition applications

NASA Astrophysics Data System (ADS)

Prasad, S.; Bruce, L. M.

2007-04-01

There is a growing interest in using multiple sources for automatic target recognition (ATR) applications. One approach is to take multiple, independent observations of a phenomenon and perform a feature level or a decision level fusion for ATR. This paper proposes a method to utilize these types of multi-source fusion techniques to exploit hyperspectral data when only a small number of training pixels are available. Conventional hyperspectral image based ATR techniques project the high dimensional reflectance signature onto a lower dimensional subspace using techniques such as Principal Components Analysis (PCA), Fisher's linear discriminant analysis (LDA), subspace LDA and stepwise LDA. While some of these techniques attempt to solve the curse of dimensionality, or small sample size problem, these are not necessarily optimal projections. In this paper, we present a divide and conquer approach to address the small sample size problem. The hyperspectral space is partitioned into contiguous subspaces such that the discriminative information within each subspace is maximized, and the statistical dependence between subspaces is minimized. We then treat each subspace as a separate source in a multi-source multi-classifier setup and test various decision fusion schemes to determine their efficacy. Unlike previous approaches which use correlation between variables for band grouping, we study the efficacy of higher order statistical information (using average mutual information) for a bottom up band grouping. We also propose a confidence measure based decision fusion technique, where the weights associated with various classifiers are based on their confidence in recognizing the training data. To this end, training accuracies of all classifiers are used for weight assignment in the fusion process of test pixels. The proposed methods are tested using hyperspectral data with known ground truth, such that the efficacy can be quantitatively measured in terms of target recognition accuracies.

A fast linearized conservative finite element method for the strongly coupled nonlinear fractional Schrödinger equations

NASA Astrophysics Data System (ADS)

Li, Meng; Gu, Xian-Ming; Huang, Chengming; Fei, Mingfa; Zhang, Guoyu

2018-04-01

In this paper, a fast linearized conservative finite element method is studied for solving the strongly coupled nonlinear fractional Schrödinger equations. We prove that the scheme preserves both the mass and energy, which are defined by virtue of some recursion relationships. Using the Sobolev inequalities and then employing the mathematical induction, the discrete scheme is proved to be unconditionally convergent in the sense of L2-norm and H α / 2-norm, which means that there are no any constraints on the grid ratios. Then, the prior bound of the discrete solution in L2-norm and L∞-norm are also obtained. Moreover, we propose an iterative algorithm, by which the coefficient matrix is independent of the time level, and thus it leads to Toeplitz-like linear systems that can be efficiently solved by Krylov subspace solvers with circulant preconditioners. This method can reduce the memory requirement of the proposed linearized finite element scheme from O (M2) to O (M) and the computational complexity from O (M3) to O (Mlog ⁡ M) in each iterative step, where M is the number of grid nodes. Finally, numerical results are carried out to verify the correction of the theoretical analysis, simulate the collision of two solitary waves, and show the utility of the fast numerical solution techniques.

Sound transmission through a poroelastic layered panel

NASA Astrophysics Data System (ADS)

Nagler, Loris; Rong, Ping; Schanz, Martin; von Estorff, Otto

2014-04-01

Multi-layered panels are often used to improve the acoustics in cars, airplanes, rooms, etc. For such an application these panels include porous and/or fibrous layers. The proposed numerical method is an approach to simulate the acoustical behavior of such multi-layered panels. The model assumes plate-like structures and, hence, combines plate theories for the different layers. The poroelastic layer is modelled with a recently developed plate theory. This theory uses a series expansion in thickness direction with subsequent analytical integration in this direction to reduce the three dimensions to two. The same idea is used to model either air gaps or fibrous layers. The latter are modeled as equivalent fluid and can be handled like an air gap, i.e., a kind of `air plate' is used. The coupling of the layers is done by using the series expansion to express the continuity conditions on the surfaces of the plates. The final system is solved with finite elements, where domain decomposition techniques in combination with preconditioned iterative solvers are applied to solve the final system of equations. In a large frequency range, the comparison with measurements shows very good agreement. From the numerical solution process it can be concluded that different preconditioners for the different layers are necessary. A reuse of the Krylov subspace of the iterative solvers pays if several excitations have to be computed but not that much in the loop over the frequencies.

Preconditioned conjugate gradient methods for the Navier-Stokes equations

NASA Technical Reports Server (NTRS)

Ajmani, Kumud; Ng, Wing-Fai; Liou, Meng-Sing

1994-01-01

A preconditioned Krylov subspace method (GMRES) is used to solve the linear systems of equations formed at each time-integration step of the unsteady, two-dimensional, compressible Navier-Stokes equations of fluid flow. The Navier-Stokes equations are cast in an implicit, upwind finite-volume, flux-split formulation. Several preconditioning techniques are investigated to enhance the efficiency and convergence rate of the implicit solver based on the GMRES algorithm. The superiority of the new solver is established by comparisons with a conventional implicit solver, namely line Gauss-Seidel relaxation (LGSR). Computational test results for low-speed (incompressible flow over a backward-facing step at Mach 0.1), transonic flow (trailing edge flow in a transonic turbine cascade), and hypersonic flow (shock-on-shock interactions on a cylindrical leading edge at Mach 6.0) are presented. For the Mach 0.1 case, overall speedup factors of up to 17 (in terms of time-steps) and 15 (in terms of CPU time on a CRAY-YMP/8) are found in favor of the preconditioned GMRES solver, when compared with the LGSR solver. The corresponding speedup factors for the transonic flow case are 17 and 23, respectively. The hypersonic flow case shows slightly lower speedup factors of 9 and 13, respectively. The study of preconditioners conducted in this research reveals that a new LUSGS-type preconditioner is much more efficient than a conventional incomplete LU-type preconditioner.

The importance of Leonhard Euler's discoveries in the field of shipbuilding for the scientific evolution of academician A. N. Krylov

NASA Astrophysics Data System (ADS)

Sharkov, N. A.; Sharkova, O. A.

2018-05-01

The paper identifies the importance of the Leonhard Euler's discoveries in the field of shipbuilding for the scientific evolution of academician A. N. Krylov and for the modern knowledge in survivability and safety of ships. The works by Leonard Euler "Marine Science" and "The Moon Motion New Theory" are discussed.

Multilevel Iterative Methods in Nonlinear Computational Plasma Physics

NASA Astrophysics Data System (ADS)

Knoll, D. A.; Finn, J. M.

1997-11-01

Many applications in computational plasma physics involve the implicit numerical solution of coupled systems of nonlinear partial differential equations or integro-differential equations. Such problems arise in MHD, systems of Vlasov-Fokker-Planck equations, edge plasma fluid equations. We have been developing matrix-free Newton-Krylov algorithms for such problems and have applied these algorithms to the edge plasma fluid equations [1,2] and to the Vlasov-Fokker-Planck equation [3]. Recently we have found that with increasing grid refinement, the number of Krylov iterations required per Newton iteration has grown unmanageable [4]. This has led us to the study of multigrid methods as a means of preconditioning matrix-free Newton-Krylov methods. In this poster we will give details of the general multigrid preconditioned Newton-Krylov algorithm, as well as algorithm performance details on problems of interest in the areas of magnetohydrodynamics and edge plasma physics. Work supported by US DoE 1. Knoll and McHugh, J. Comput. Phys., 116, pg. 281 (1995) 2. Knoll and McHugh, Comput. Phys. Comm., 88, pg. 141 (1995) 3. Mousseau and Knoll, J. Comput. Phys. (1997) (to appear) 4. Knoll and McHugh, SIAM J. Sci. Comput. 19, (1998) (to appear)

SIMULTANEOUS MULTISLICE MAGNETIC RESONANCE FINGERPRINTING WITH LOW-RANK AND SUBSPACE MODELING

PubMed Central

Zhao, Bo; Bilgic, Berkin; Adalsteinsson, Elfar; Griswold, Mark A.; Wald, Lawrence L.; Setsompop, Kawin

2018-01-01

Magnetic resonance fingerprinting (MRF) is a new quantitative imaging paradigm that enables simultaneous acquisition of multiple magnetic resonance tissue parameters (e.g., T1, T2, and spin density). Recently, MRF has been integrated with simultaneous multislice (SMS) acquisitions to enable volumetric imaging with faster scan time. In this paper, we present a new image reconstruction method based on low-rank and subspace modeling for improved SMS-MRF. Here the low-rank model exploits strong spatiotemporal correlation among contrast-weighted images, while the subspace model captures the temporal evolution of magnetization dynamics. With the proposed model, the image reconstruction problem is formulated as a convex optimization problem, for which we develop an algorithm based on variable splitting and the alternating direction method of multipliers. The performance of the proposed method has been evaluated by numerical experiments, and the results demonstrate that the proposed method leads to improved accuracy over the conventional approach. Practically, the proposed method has a potential to allow for a 3x speedup with minimal reconstruction error, resulting in less than 5 sec imaging time per slice. PMID:29060594

Semi-Supervised Projective Non-Negative Matrix Factorization for Cancer Classification.

PubMed

Zhang, Xiang; Guan, Naiyang; Jia, Zhilong; Qiu, Xiaogang; Luo, Zhigang

2015-01-01

Advances in DNA microarray technologies have made gene expression profiles a significant candidate in identifying different types of cancers. Traditional learning-based cancer identification methods utilize labeled samples to train a classifier, but they are inconvenient for practical application because labels are quite expensive in the clinical cancer research community. This paper proposes a semi-supervised projective non-negative matrix factorization method (Semi-PNMF) to learn an effective classifier from both labeled and unlabeled samples, thus boosting subsequent cancer classification performance. In particular, Semi-PNMF jointly learns a non-negative subspace from concatenated labeled and unlabeled samples and indicates classes by the positions of the maximum entries of their coefficients. Because Semi-PNMF incorporates statistical information from the large volume of unlabeled samples in the learned subspace, it can learn more representative subspaces and boost classification performance. We developed a multiplicative update rule (MUR) to optimize Semi-PNMF and proved its convergence. The experimental results of cancer classification for two multiclass cancer gene expression profile datasets show that Semi-PNMF outperforms the representative methods.

Subspace Clustering via Learning an Adaptive Low-Rank Graph.

PubMed

Yin, Ming; Xie, Shengli; Wu, Zongze; Zhang, Yun; Gao, Junbin

2018-08-01

By using a sparse representation or low-rank representation of data, the graph-based subspace clustering has recently attracted considerable attention in computer vision, given its capability and efficiency in clustering data. However, the graph weights built using the representation coefficients are not the exact ones as the traditional definition is in a deterministic way. The two steps of representation and clustering are conducted in an independent manner, thus an overall optimal result cannot be guaranteed. Furthermore, it is unclear how the clustering performance will be affected by using this graph. For example, the graph parameters, i.e., the weights on edges, have to be artificially pre-specified while it is very difficult to choose the optimum. To this end, in this paper, a novel subspace clustering via learning an adaptive low-rank graph affinity matrix is proposed, where the affinity matrix and the representation coefficients are learned in a unified framework. As such, the pre-computed graph regularizer is effectively obviated and better performance can be achieved. Experimental results on several famous databases demonstrate that the proposed method performs better against the state-of-the-art approaches, in clustering.

Simultaneous multislice magnetic resonance fingerprinting with low-rank and subspace modeling.

PubMed

Bo Zhao; Bilgic, Berkin; Adalsteinsson, Elfar; Griswold, Mark A; Wald, Lawrence L; Setsompop, Kawin

2017-07-01

Magnetic resonance fingerprinting (MRF) is a new quantitative imaging paradigm that enables simultaneous acquisition of multiple magnetic resonance tissue parameters (e.g., T 1 , T 2 , and spin density). Recently, MRF has been integrated with simultaneous multislice (SMS) acquisitions to enable volumetric imaging with faster scan time. In this paper, we present a new image reconstruction method based on low-rank and subspace modeling for improved SMS-MRF. Here the low-rank model exploits strong spatiotemporal correlation among contrast-weighted images, while the subspace model captures the temporal evolution of magnetization dynamics. With the proposed model, the image reconstruction problem is formulated as a convex optimization problem, for which we develop an algorithm based on variable splitting and the alternating direction method of multipliers. The performance of the proposed method has been evaluated by numerical experiments, and the results demonstrate that the proposed method leads to improved accuracy over the conventional approach. Practically, the proposed method has a potential to allow for a 3× speedup with minimal reconstruction error, resulting in less than 5 sec imaging time per slice.

Heuristic approach to image registration

NASA Astrophysics Data System (ADS)

Gertner, Izidor; Maslov, Igor V.

2000-08-01

Image registration, i.e. correct mapping of images obtained from different sensor readings onto common reference frame, is a critical part of multi-sensor ATR/AOR systems based on readings from different types of sensors. In order to fuse two different sensor readings of the same object, the readings have to be put into a common coordinate system. This task can be formulated as optimization problem in a space of all possible affine transformations of an image. In this paper, a combination of heuristic methods is explored to register gray- scale images. The modification of Genetic Algorithm is used as the first step in global search for optimal transformation. It covers the entire search space with (randomly or heuristically) scattered probe points and helps significantly reduce the search space to a subspace of potentially most successful transformations. Due to its discrete character, however, Genetic Algorithm in general can not converge while coming close to the optimum. Its termination point can be specified either as some predefined number of generations or as achievement of a certain acceptable convergence level. To refine the search, potential optimal subspaces are searched using more delicate and efficient for local search Taboo and Simulated Annealing methods.

Feedforward Inhibition and Synaptic Scaling – Two Sides of the Same Coin?

PubMed Central

Lücke, Jörg

2012-01-01

Feedforward inhibition and synaptic scaling are important adaptive processes that control the total input a neuron can receive from its afferents. While often studied in isolation, the two have been reported to co-occur in various brain regions. The functional implications of their interactions remain unclear, however. Based on a probabilistic modeling approach, we show here that fast feedforward inhibition and synaptic scaling interact synergistically during unsupervised learning. In technical terms, we model the input to a neural circuit using a normalized mixture model with Poisson noise. We demonstrate analytically and numerically that, in the presence of lateral inhibition introducing competition between different neurons, Hebbian plasticity and synaptic scaling approximate the optimal maximum likelihood solutions for this model. Our results suggest that, beyond its conventional use as a mechanism to remove undesired pattern variations, input normalization can make typical neural interaction and learning rules optimal on the stimulus subspace defined through feedforward inhibition. Furthermore, learning within this subspace is more efficient in practice, as it helps avoid locally optimal solutions. Our results suggest a close connection between feedforward inhibition and synaptic scaling which may have important functional implications for general cortical processing. PMID:22457610

Systematic Dimensionality Reduction for Quantum Walks: Optimal Spatial Search and Transport on Non-Regular Graphs

PubMed Central

Novo, Leonardo; Chakraborty, Shantanav; Mohseni, Masoud; Neven, Hartmut; Omar, Yasser

2015-01-01

Continuous time quantum walks provide an important framework for designing new algorithms and modelling quantum transport and state transfer problems. Often, the graph representing the structure of a problem contains certain symmetries that confine the dynamics to a smaller subspace of the full Hilbert space. In this work, we use invariant subspace methods, that can be computed systematically using the Lanczos algorithm, to obtain the reduced set of states that encompass the dynamics of the problem at hand without the specific knowledge of underlying symmetries. First, we apply this method to obtain new instances of graphs where the spatial quantum search algorithm is optimal: complete graphs with broken links and complete bipartite graphs, in particular, the star graph. These examples show that regularity and high-connectivity are not needed to achieve optimal spatial search. We also show that this method considerably simplifies the calculation of quantum transport efficiencies. Furthermore, we observe improved efficiencies by removing a few links from highly symmetric graphs. Finally, we show that this reduction method also allows us to obtain an upper bound for the fidelity of a single qubit transfer on an XY spin network. PMID:26330082

Feedforward inhibition and synaptic scaling--two sides of the same coin?

PubMed

Keck, Christian; Savin, Cristina; Lücke, Jörg

2012-01-01

Feedforward inhibition and synaptic scaling are important adaptive processes that control the total input a neuron can receive from its afferents. While often studied in isolation, the two have been reported to co-occur in various brain regions. The functional implications of their interactions remain unclear, however. Based on a probabilistic modeling approach, we show here that fast feedforward inhibition and synaptic scaling interact synergistically during unsupervised learning. In technical terms, we model the input to a neural circuit using a normalized mixture model with Poisson noise. We demonstrate analytically and numerically that, in the presence of lateral inhibition introducing competition between different neurons, Hebbian plasticity and synaptic scaling approximate the optimal maximum likelihood solutions for this model. Our results suggest that, beyond its conventional use as a mechanism to remove undesired pattern variations, input normalization can make typical neural interaction and learning rules optimal on the stimulus subspace defined through feedforward inhibition. Furthermore, learning within this subspace is more efficient in practice, as it helps avoid locally optimal solutions. Our results suggest a close connection between feedforward inhibition and synaptic scaling which may have important functional implications for general cortical processing.

Parallel Newton-Krylov-Schwarz algorithms for the transonic full potential equation

NASA Technical Reports Server (NTRS)

Cai, Xiao-Chuan; Gropp, William D.; Keyes, David E.; Melvin, Robin G.; Young, David P.

1996-01-01

We study parallel two-level overlapping Schwarz algorithms for solving nonlinear finite element problems, in particular, for the full potential equation of aerodynamics discretized in two dimensions with bilinear elements. The overall algorithm, Newton-Krylov-Schwarz (NKS), employs an inexact finite-difference Newton method and a Krylov space iterative method, with a two-level overlapping Schwarz method as a preconditioner. We demonstrate that NKS, combined with a density upwinding continuation strategy for problems with weak shocks, is robust and, economical for this class of mixed elliptic-hyperbolic nonlinear partial differential equations, with proper specification of several parameters. We study upwinding parameters, inner convergence tolerance, coarse grid density, subdomain overlap, and the level of fill-in in the incomplete factorization, and report their effect on numerical convergence rate, overall execution time, and parallel efficiency on a distributed-memory parallel computer.

Greedy subspace clustering.

DOT National Transportation Integrated Search

2016-09-01

We consider the problem of subspace clustering: given points that lie on or near the union of many low-dimensional linear subspaces, recover the subspaces. To this end, one first identifies sets of points close to the same subspace and uses the sets ...

PIXIE3D: A Parallel, Implicit, eXtended MHD 3D Code.

NASA Astrophysics Data System (ADS)

Chacon, L.; Knoll, D. A.

2004-11-01

We report on the development of PIXIE3D, a 3D parallel, fully implicit Newton-Krylov extended primitive-variable MHD code in general curvilinear geometry. PIXIE3D employs a second-order, finite-volume-based spatial discretization that satisfies remarkable properties such as being conservative, solenoidal in the magnetic field, non-dissipative, and stable in the absence of physical dissipation.(L. Chacón , phComput. Phys. Comm.) submitted (2004) PIXIE3D employs fully-implicit Newton-Krylov methods for the time advance. Currently, first and second-order implicit schemes are available, although higher-order temporal implicit schemes can be effortlessly implemented within the Newton-Krylov framework. A successful, scalable, MG physics-based preconditioning strategy, similar in concept to previous 2D MHD efforts,(L. Chacón et al., phJ. Comput. Phys). 178 (1), 15- 36 (2002); phJ. Comput. Phys., 188 (2), 573-592 (2003) has been developed. We are currently in the process of parallelizing the code using the PETSc library, and a Newton-Krylov-Schwarz approach for the parallel treatment of the preconditioner. In this poster, we will report on both the serial and parallel performance of PIXIE3D, focusing primarily on scalability and CPU speedup vs. an explicit approach.

Regularization by Functions of Bounded Variation and Applications to Image Enhancement

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

Casas, E.; Kunisch, K.; Pola, C.

1999-09-15

Optimization problems regularized by bounded variation seminorms are analyzed. The optimality system is obtained and finite-dimensional approximations of bounded variation function spaces as well as of the optimization problems are studied. It is demonstrated that the choice of the vector norm in the definition of the bounded variation seminorm is of special importance for approximating subspaces consisting of piecewise constant functions. Algorithms based on a primal-dual framework that exploit the structure of these nondifferentiable optimization problems are proposed. Numerical examples are given for denoising of blocky images with very high noise.

Optimal Wavelengths Selection Using Hierarchical Evolutionary Algorithm for Prediction of Firmness and Soluble Solids Content in Apples

USDA-ARS?s Scientific Manuscript database

Hyperspectral scattering is a promising technique for rapid and noninvasive measurement of multiple quality attributes of apple fruit. A hierarchical evolutionary algorithm (HEA) approach, in combination with subspace decomposition and partial least squares (PLS) regression, was proposed to select o...

Numerical Aspects of Nonhydrostatic Implementations Applied to a Parallel Finite Element Tsunami Model

NASA Astrophysics Data System (ADS)

Fuchs, A.; Androsov, A.; Harig, S.; Hiller, W.; Rakowsky, N.

2012-04-01

Based on the jeopardy of devastating tsunamis and the unpredictability of such events, tsunami modelling as part of warning systems is still a contemporary topic. The tsunami group of Alfred Wegener Institute developed the simulation tool TsunAWI as contribution to the Early Warning System in Indonesia. Although the precomputed scenarios for this purpose qualify for satisfying deliverables, the study of further improvements continues. While TsunAWI is governed by the Shallow Water Equations, an extension of the model is based on a nonhydrostatic approach. At the arrival of a tsunami wave in coastal regions with rough bathymetry, the term containing the nonhydrostatic part of pressure, that is neglected in the original hydrostatic model, gains in importance. In consideration of this term, a better approximation of the wave is expected. Differences of hydrostatic and nonhydrostatic model results are contrasted in the standard benchmark problem of a solitary wave runup on a plane beach. The observation data provided by Titov and Synolakis (1995) serves as reference. The nonhydrostatic approach implies a set of equations that are similar to the Shallow Water Equations, so the variation of the code can be implemented on top. However, this additional routines cause a lot of issues you have to cope with. So far the computations of the model were purely explicit. In the nonhydrostatic version the determination of an additional unknown and the solution of a large sparse system of linear equations is necessary. The latter constitutes the lion's share of computing time and memory requirement. Since the corresponding matrix is only symmetric in structure and not in values, an iterative Krylov Subspace Method is used, in particular the restarted Generalized Minimal Residual Algorithm GMRES(m). With regard to optimization, we present a comparison of several combinations of sequential and parallel preconditioning techniques respective number of iterations and setup/application time. Since the used software package pARMS 3.2, that provides solving and preconditioning techniques, works via MPI parallelism, in an auxiliary branch we adapted TsunAWI and switched from OpenMP to MPI with attached importance to internal partition management.

TH-AB-BRA-09: Stability Analysis of a Novel Dose Calculation Algorithm for MRI Guided Radiotherapy

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

Zelyak, O; Fallone, B; Cross Cancer Institute, Edmonton, AB

2016-06-15

Purpose: To determine the iterative deterministic solution stability of the Linear Boltzmann Transport Equation (LBTE) in the presence of magnetic fields. Methods: The LBTE with magnetic fields under investigation is derived using a discrete ordinates approach. The stability analysis is performed using analytical and numerical methods. Analytically, the spectral Fourier analysis is used to obtain the convergence rate of the source iteration procedures based on finding the largest eigenvalue of the iterative operator. This eigenvalue is a function of relevant physical parameters, such as magnetic field strength and material properties, and provides essential information about the domain of applicability requiredmore » for clinically optimal parameter selection and maximum speed of convergence. The analytical results are reinforced by numerical simulations performed using the same discrete ordinates method in angle, and a discontinuous finite element spatial approach. Results: The spectral radius for the source iteration technique of the time independent transport equation with isotropic and anisotropic scattering centers inside infinite 3D medium is equal to the ratio of differential and total cross sections. The result is confirmed numerically by solving LBTE and is in full agreement with previously published results. The addition of magnetic field reveals that the convergence becomes dependent on the strength of magnetic field, the energy group discretization, and the order of anisotropic expansion. Conclusion: The source iteration technique for solving the LBTE with magnetic fields with the discrete ordinates method leads to divergent solutions in the limiting cases of small energy discretizations and high magnetic field strengths. Future investigations into non-stationary Krylov subspace techniques as an iterative solver will be performed as this has been shown to produce greater stability than source iteration. Furthermore, a stability analysis of a discontinuous finite element space-angle approach (which has been shown to provide the greatest stability) will also be investigated. Dr. B Gino Fallone is a co-founder and CEO of MagnetTx Oncology Solutions (under discussions to license Alberta bi-planar linac MR for commercialization)« less

Linear Subspace Ranking Hashing for Cross-Modal Retrieval.

PubMed

Li, Kai; Qi, Guo-Jun; Ye, Jun; Hua, Kien A

2017-09-01

Hashing has attracted a great deal of research in recent years due to its effectiveness for the retrieval and indexing of large-scale high-dimensional multimedia data. In this paper, we propose a novel ranking-based hashing framework that maps data from different modalities into a common Hamming space where the cross-modal similarity can be measured using Hamming distance. Unlike existing cross-modal hashing algorithms where the learned hash functions are binary space partitioning functions, such as the sign and threshold function, the proposed hashing scheme takes advantage of a new class of hash functions closely related to rank correlation measures which are known to be scale-invariant, numerically stable, and highly nonlinear. Specifically, we jointly learn two groups of linear subspaces, one for each modality, so that features' ranking orders in different linear subspaces maximally preserve the cross-modal similarities. We show that the ranking-based hash function has a natural probabilistic approximation which transforms the original highly discontinuous optimization problem into one that can be efficiently solved using simple gradient descent algorithms. The proposed hashing framework is also flexible in the sense that the optimization procedures are not tied up to any specific form of loss function, which is typical for existing cross-modal hashing methods, but rather we can flexibly accommodate different loss functions with minimal changes to the learning steps. We demonstrate through extensive experiments on four widely-used real-world multimodal datasets that the proposed cross-modal hashing method can achieve competitive performance against several state-of-the-arts with only moderate training and testing time.

A Tensor-Train accelerated solver for integral equations in complex geometries

NASA Astrophysics Data System (ADS)

Corona, Eduardo; Rahimian, Abtin; Zorin, Denis

2017-04-01

We present a framework using the Quantized Tensor Train (QTT) decomposition to accurately and efficiently solve volume and boundary integral equations in three dimensions. We describe how the QTT decomposition can be used as a hierarchical compression and inversion scheme for matrices arising from the discretization of integral equations. For a broad range of problems, computational and storage costs of the inversion scheme are extremely modest O (log ⁡ N) and once the inverse is computed, it can be applied in O (Nlog ⁡ N) . We analyze the QTT ranks for hierarchically low rank matrices and discuss its relationship to commonly used hierarchical compression techniques such as FMM and HSS. We prove that the QTT ranks are bounded for translation-invariant systems and argue that this behavior extends to non-translation invariant volume and boundary integrals. For volume integrals, the QTT decomposition provides an efficient direct solver requiring significantly less memory compared to other fast direct solvers. We present results demonstrating the remarkable performance of the QTT-based solver when applied to both translation and non-translation invariant volume integrals in 3D. For boundary integral equations, we demonstrate that using a QTT decomposition to construct preconditioners for a Krylov subspace method leads to an efficient and robust solver with a small memory footprint. We test the QTT preconditioners in the iterative solution of an exterior elliptic boundary value problem (Laplace) formulated as a boundary integral equation in complex, multiply connected geometries.

Optimal design of focused experiments and surveys

NASA Astrophysics Data System (ADS)

Curtis, Andrew

1999-10-01

Experiments and surveys are often performed to obtain data that constrain some previously underconstrained model. Often, constraints are most desired in a particular subspace of model space. Experiment design optimization requires that the quality of any particular design can be both quantified and then maximized. This study shows how the quality can be defined such that it depends on the amount of information that is focused in the particular subspace of interest. In addition, algorithms are presented which allow one particular focused quality measure (from the class of focused measures) to be evaluated efficiently. A subclass of focused quality measures is also related to the standard variance and resolution measures from linearized inverse theory. The theory presented here requires that the relationship between model parameters and data can be linearized around a reference model without significant loss of information. Physical and financial constraints define the space of possible experiment designs. Cross-well tomographic examples are presented, plus a strategy for survey design to maximize information about linear combinations of parameters such as bulk modulus, κ =λ+ 2μ/3.

Numerical simulation of cavitating flows in shipbuilding

NASA Astrophysics Data System (ADS)

Bagaev, D.; Yegorov, S.; Lobachev, M.; Rudnichenko, A.; Taranov, A.

2018-05-01

The paper presents validation of numerical simulations of cavitating flows around different marine objects carried out at the Krylov State Research Centre (KSRC). Preliminary validation was done with reference to international test objects. The main part of the paper contains results of solving practical problems of ship propulsion design. The validation of numerical simulations by comparison with experimental data shows a good accuracy of the supercomputer technologies existing at Krylov State Research Centre for both hydrodynamic and cavitation characteristics prediction.

Wavelet subspace decomposition of thermal infrared images for defect detection in artworks

NASA Astrophysics Data System (ADS)

Ahmad, M. Z.; Khan, A. A.; Mezghani, S.; Perrin, E.; Mouhoubi, K.; Bodnar, J. L.; Vrabie, V.

2016-07-01

Health of ancient artworks must be routinely monitored for their adequate preservation. Faults in these artworks may develop over time and must be identified as precisely as possible. The classical acoustic testing techniques, being invasive, risk causing permanent damage during periodic inspections. Infrared thermometry offers a promising solution to map faults in artworks. It involves heating the artwork and recording its thermal response using infrared camera. A novel strategy based on pseudo-random binary excitation principle is used in this work to suppress the risks associated with prolonged heating. The objective of this work is to develop an automatic scheme for detecting faults in the captured images. An efficient scheme based on wavelet based subspace decomposition is developed which favors identification of, the otherwise invisible, weaker faults. Two major problems addressed in this work are the selection of the optimal wavelet basis and the subspace level selection. A novel criterion based on regional mutual information is proposed for the latter. The approach is successfully tested on a laboratory based sample as well as real artworks. A new contrast enhancement metric is developed to demonstrate the quantitative efficiency of the algorithm. The algorithm is successfully deployed for both laboratory based and real artworks.

ERP denoising in multichannel EEG data using contrasts between signal and noise subspaces.

PubMed

Ivannikov, Andriy; Kalyakin, Igor; Hämäläinen, Jarmo; Leppänen, Paavo H T; Ristaniemi, Tapani; Lyytinen, Heikki; Kärkkäinen, Tommi

2009-06-15

In this paper, a new method intended for ERP denoising in multichannel EEG data is discussed. The denoising is done by separating ERP/noise subspaces in multidimensional EEG data by a linear transformation and the following dimension reduction by ignoring noise components during inverse transformation. The separation matrix is found based on the assumption that ERP sources are deterministic for all repetitions of the same type of stimulus within the experiment, while the other noise sources do not obey the determinancy property. A detailed derivation of the technique is given together with the analysis of the results of its application to a real high-density EEG data set. The interpretation of the results and the performance of the proposed method under conditions, when the basic assumptions are violated - e.g. the problem is underdetermined - are also discussed. Moreover, we study how the factors of the number of channels and trials used by the method influence the effectiveness of ERP/noise subspaces separation. In addition, we explore also the impact of different data resampling strategies on the performance of the considered algorithm. The results can help in determining the optimal parameters of the equipment/methods used to elicit and reliably estimate ERPs.

Subspace-based interference removal methods for a multichannel biomagnetic sensor array.

PubMed

Sekihara, Kensuke; Nagarajan, Srikantan S

2017-10-01

In biomagnetic signal processing, the theory of the signal subspace has been applied to removing interfering magnetic fields, and a representative algorithm is the signal space projection algorithm, in which the signal/interference subspace is defined in the spatial domain as the span of signal/interference-source lead field vectors. This paper extends the notion of this conventional (spatial domain) signal subspace by introducing a new definition of signal subspace in the time domain. It defines the time-domain signal subspace as the span of row vectors that contain the source time course values. This definition leads to symmetric relationships between the time-domain and the conventional (spatial-domain) signal subspaces. As a review, this article shows that the notion of the time-domain signal subspace provides useful insights over existing interference removal methods from a unified perspective. Main results and significance. Using the time-domain signal subspace, it is possible to interpret a number of interference removal methods as the time domain signal space projection. Such methods include adaptive noise canceling, sensor noise suppression, the common temporal subspace projection, the spatio-temporal signal space separation, and the recently-proposed dual signal subspace projection. Our analysis using the notion of the time domain signal space projection reveals implicit assumptions these methods rely on, and shows that the difference between these methods results only from the manner of deriving the interference subspace. Numerical examples that illustrate the results of our arguments are provided.

Subspace-based interference removal methods for a multichannel biomagnetic sensor array

NASA Astrophysics Data System (ADS)

Sekihara, Kensuke; Nagarajan, Srikantan S.

2017-10-01

Objective. In biomagnetic signal processing, the theory of the signal subspace has been applied to removing interfering magnetic fields, and a representative algorithm is the signal space projection algorithm, in which the signal/interference subspace is defined in the spatial domain as the span of signal/interference-source lead field vectors. This paper extends the notion of this conventional (spatial domain) signal subspace by introducing a new definition of signal subspace in the time domain. Approach. It defines the time-domain signal subspace as the span of row vectors that contain the source time course values. This definition leads to symmetric relationships between the time-domain and the conventional (spatial-domain) signal subspaces. As a review, this article shows that the notion of the time-domain signal subspace provides useful insights over existing interference removal methods from a unified perspective. Main results and significance. Using the time-domain signal subspace, it is possible to interpret a number of interference removal methods as the time domain signal space projection. Such methods include adaptive noise canceling, sensor noise suppression, the common temporal subspace projection, the spatio-temporal signal space separation, and the recently-proposed dual signal subspace projection. Our analysis using the notion of the time domain signal space projection reveals implicit assumptions these methods rely on, and shows that the difference between these methods results only from the manner of deriving the interference subspace. Numerical examples that illustrate the results of our arguments are provided.

Indoor Subspacing to Implement Indoorgml for Indoor Navigation

NASA Astrophysics Data System (ADS)

Jung, H.; Lee, J.

2015-10-01

According to an increasing demand for indoor navigation, there are great attempts to develop applicable indoor network. Representation for a room as a node is not sufficient to apply complex and large buildings. As OGC established IndoorGML, subspacing to partition the space for constructing logical network is introduced. Concerning subspacing for indoor network, transition space like halls or corridors also have to be considered. This study presents the subspacing process for creating an indoor network in shopping mall. Furthermore, categorization of transition space is performed and subspacing of this space is considered. Hall and squares in mall is especially defined for subspacing. Finally, implementation of subspacing process for indoor network is presented.

nu-TRLan User Guide Version 1.0: A High-Performance Software Package for Large-Scale Harmitian Eigenvalue Problems

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

Yamazaki, Ichitaro; Wu, Kesheng; Simon, Horst

2008-10-27

The original software package TRLan, [TRLan User Guide], page 24, implements the thick restart Lanczos method, [Wu and Simon 2001], page 24, for computing eigenvalues {lambda} and their corresponding eigenvectors v of a symmetric matrix A: Av = {lambda}v. Its effectiveness in computing the exterior eigenvalues of a large matrix has been demonstrated, [LBNL-42982], page 24. However, its performance strongly depends on the user-specified dimension of a projection subspace. If the dimension is too small, TRLan suffers from slow convergence. If it is too large, the computational and memory costs become expensive. Therefore, to balance the solution convergence and costs,more » users must select an appropriate subspace dimension for each eigenvalue problem at hand. To free users from this difficult task, nu-TRLan, [LNBL-1059E], page 23, adjusts the subspace dimension at every restart such that optimal performance in solving the eigenvalue problem is automatically obtained. This document provides a user guide to the nu-TRLan software package. The original TRLan software package was implemented in Fortran 90 to solve symmetric eigenvalue problems using static projection subspace dimensions. nu-TRLan was developed in C and extended to solve Hermitian eigenvalue problems. It can be invoked using either a static or an adaptive subspace dimension. In order to simplify its use for TRLan users, nu-TRLan has interfaces and features similar to those of TRLan: (1) Solver parameters are stored in a single data structure called trl-info, Chapter 4 [trl-info structure], page 7. (2) Most of the numerical computations are performed by BLAS, [BLAS], page 23, and LAPACK, [LAPACK], page 23, subroutines, which allow nu-TRLan to achieve optimized performance across a wide range of platforms. (3) To solve eigenvalue problems on distributed memory systems, the message passing interface (MPI), [MPI forum], page 23, is used. The rest of this document is organized as follows. In Chapter 2 [Installation], page 2, we provide an installation guide of the nu-TRLan software package. In Chapter 3 [Example], page 3, we present a simple nu-TRLan example program. In Chapter 4 [trl-info structure], page 7, and Chapter 5 [trlan subroutine], page 14, we describe the solver parameters and interfaces in detail. In Chapter 6 [Solver parameters], page 21, we discuss the selection of the user-specified parameters. In Chapter 7 [Contact information], page 22, we give the acknowledgements and contact information of the authors. In Chapter 8 [References], page 23, we list reference to related works.« less

Energetic Materials Optimization via Constrained Search

DTIC Science & Technology

2015-06-01

steps. 3. Optimization Methodology Our optimization problem is formulated as a constrained maximization: max x∈CCS P (x) s.t. : TED ( x )− 9.75 ≥ 0 SV (x)− 9...0 5− SA(x) ≥ 0, (1) where TED ( x ) is the total energy of detonation (TED) of compound x from the chosen chemical subspace (CCS) of chemical compound...max problem, max x∈CCS min λ∈R3+ P (x)− λTC(x), (2) where C(x) is the vector of constraint violations, i.e., η(9.75 − TED ( x )), η(9 − SV (x)), η(SA(x

Execution of Multidisciplinary Design Optimization Approaches on Common Test Problems

NASA Technical Reports Server (NTRS)

Balling, R. J.; Wilkinson, C. A.

1997-01-01

A class of synthetic problems for testing multidisciplinary design optimization (MDO) approaches is presented. These test problems are easy to reproduce because all functions are given as closed-form mathematical expressions. They are constructed in such a way that the optimal value of all variables and the objective is unity. The test problems involve three disciplines and allow the user to specify the number of design variables, state variables, coupling functions, design constraints, controlling design constraints, and the strength of coupling. Several MDO approaches were executed on two sample synthetic test problems. These approaches included single-level optimization approaches, collaborative optimization approaches, and concurrent subspace optimization approaches. Execution results are presented, and the robustness and efficiency of these approaches an evaluated for these sample problems.

Indoor Modelling from Slam-Based Laser Scanner: Door Detection to Envelope Reconstruction

NASA Astrophysics Data System (ADS)

Díaz-Vilariño, L.; Verbree, E.; Zlatanova, S.; Diakité, A.

2017-09-01

Updated and detailed indoor models are being increasingly demanded for various applications such as emergency management or navigational assistance. The consolidation of new portable and mobile acquisition systems has led to a higher availability of 3D point cloud data from indoors. In this work, we explore the combined use of point clouds and trajectories from SLAM-based laser scanner to automate the reconstruction of building indoors. The methodology starts by door detection, since doors represent transitions from one indoor space to other, which constitutes an initial approach about the global configuration of the point cloud into building rooms. For this purpose, the trajectory is used to create a vertical point cloud profile in which doors are detected as local minimum of vertical distances. As point cloud and trajectory are related by time stamp, this feature is used to subdivide the point cloud into subspaces according to the location of the doors. The correspondence between subspaces and building rooms is not unambiguous. One subspace always corresponds to one room, but one room is not necessarily depicted by just one subspace, for example, in case of a room containing several doors and in which the acquisition is performed in a discontinue way. The labelling problem is formulated as combinatorial approach solved as a minimum energy optimization. Once the point cloud is subdivided into building rooms, envelop (conformed by walls, ceilings and floors) is reconstructed for each space. The connectivity between spaces is included by adding the previously detected doors to the reconstructed model. The methodology is tested in a real case study.

Accelerating the weighted histogram analysis method by direct inversion in the iterative subspace.

PubMed

Zhang, Cheng; Lai, Chun-Liang; Pettitt, B Montgomery

The weighted histogram analysis method (WHAM) for free energy calculations is a valuable tool to produce free energy differences with the minimal errors. Given multiple simulations, WHAM obtains from the distribution overlaps the optimal statistical estimator of the density of states, from which the free energy differences can be computed. The WHAM equations are often solved by an iterative procedure. In this work, we use a well-known linear algebra algorithm which allows for more rapid convergence to the solution. We find that the computational complexity of the iterative solution to WHAM and the closely-related multiple Bennett acceptance ratio (MBAR) method can be improved by using the method of direct inversion in the iterative subspace. We give examples from a lattice model, a simple liquid and an aqueous protein solution.

Big climate data analysis

NASA Astrophysics Data System (ADS)

Mudelsee, Manfred

2015-04-01

The Big Data era has begun also in the climate sciences, not only in economics or molecular biology. We measure climate at increasing spatial resolution by means of satellites and look farther back in time at increasing temporal resolution by means of natural archives and proxy data. We use powerful supercomputers to run climate models. The model output of the calculations made for the IPCC's Fifth Assessment Report amounts to ~650 TB. The 'scientific evolution' of grid computing has started, and the 'scientific revolution' of quantum computing is being prepared. This will increase computing power, and data amount, by several orders of magnitude in the future. However, more data does not automatically mean more knowledge. We need statisticians, who are at the core of transforming data into knowledge. Statisticians notably also explore the limits of our knowledge (uncertainties, that is, confidence intervals and P-values). Mudelsee (2014 Climate Time Series Analysis: Classical Statistical and Bootstrap Methods. Second edition. Springer, Cham, xxxii + 454 pp.) coined the term 'optimal estimation'. Consider the hyperspace of climate estimation. It has many, but not infinite, dimensions. It consists of the three subspaces Monte Carlo design, method and measure. The Monte Carlo design describes the data generating process. The method subspace describes the estimation and confidence interval construction. The measure subspace describes how to detect the optimal estimation method for the Monte Carlo experiment. The envisaged large increase in computing power may bring the following idea of optimal climate estimation into existence. Given a data sample, some prior information (e.g. measurement standard errors) and a set of questions (parameters to be estimated), the first task is simple: perform an initial estimation on basis of existing knowledge and experience with such types of estimation problems. The second task requires the computing power: explore the hyperspace to find the suitable method, that is, the mode of estimation and uncertainty-measure determination that optimizes a selected measure for prescribed values close to the initial estimates. Also here, intelligent exploration methods (gradient, Brent, etc.) are useful. The third task is to apply the optimal estimation method to the climate dataset. This conference paper illustrates by means of three examples that optimal estimation has the potential to shape future big climate data analysis. First, we consider various hypothesis tests to study whether climate extremes are increasing in their occurrence. Second, we compare Pearson's and Spearman's correlation measures. Third, we introduce a novel estimator of the tail index, which helps to better quantify climate-change related risks.

Effective learning strategies for real-time image-guided adaptive control of multiple-source hyperthermia applicators.

PubMed

Cheng, Kung-Shan; Dewhirst, Mark W; Stauffer, Paul R; Das, Shiva

2010-03-01

This paper investigates overall theoretical requirements for reducing the times required for the iterative learning of a real-time image-guided adaptive control routine for multiple-source heat applicators, as used in hyperthermia and thermal ablative therapy for cancer. Methods for partial reconstruction of the physical system with and without model reduction to find solutions within a clinically practical timeframe were analyzed. A mathematical analysis based on the Fredholm alternative theorem (FAT) was used to compactly analyze the existence and uniqueness of the optimal heating vector under two fundamental situations: (1) noiseless partial reconstruction and (2) noisy partial reconstruction. These results were coupled with a method for further acceleration of the solution using virtual source (VS) model reduction. The matrix approximation theorem (MAT) was used to choose the optimal vectors spanning the reduced-order subspace to reduce the time for system reconstruction and to determine the associated approximation error. Numerical simulations of the adaptive control of hyperthermia using VS were also performed to test the predictions derived from the theoretical analysis. A thigh sarcoma patient model surrounded by a ten-antenna phased-array applicator was retained for this purpose. The impacts of the convective cooling from blood flow and the presence of sudden increase of perfusion in muscle and tumor were also simulated. By FAT, partial system reconstruction directly conducted in the full space of the physical variables such as phases and magnitudes of the heat sources cannot guarantee reconstructing the optimal system to determine the global optimal setting of the heat sources. A remedy for this limitation is to conduct the partial reconstruction within a reduced-order subspace spanned by the first few maximum eigenvectors of the true system matrix. By MAT, this VS subspace is the optimal one when the goal is to maximize the average tumor temperature. When more than 6 sources present, the steps required for a nonlinear learning scheme is theoretically fewer than that of a linear one, however, finite number of iterative corrections is necessary for a single learning step of a nonlinear algorithm. Thus, the actual computational workload for a nonlinear algorithm is not necessarily less than that required by a linear algorithm. Based on the analysis presented herein, obtaining a unique global optimal heating vector for a multiple-source applicator within the constraints of real-time clinical hyperthermia treatments and thermal ablative therapies appears attainable using partial reconstruction with minimum norm least-squares method with supplemental equations. One way to supplement equations is the inclusion of a method of model reduction.

Construction, classification and parametrization of complex Hadamard matrices

NASA Astrophysics Data System (ADS)

Szöllősi, Ferenc

To improve the design of nuclear systems, high-fidelity neutron fluxes are required. Leadership-class machines provide platforms on which very large problems can be solved. Computing such fluxes efficiently requires numerical methods with good convergence properties and algorithms that can scale to hundreds of thousands of cores. Many 3-D deterministic transport codes are decomposable in space and angle only, limiting them to tens of thousands of cores. Most codes rely on methods such as Gauss Seidel for fixed source problems and power iteration for eigenvalue problems, which can be slow to converge for challenging problems like those with highly scattering materials or high dominance ratios. Three methods have been added to the 3-D SN transport code Denovo that are designed to improve convergence and enable the full use of cutting-edge computers. The first is a multigroup Krylov solver that converges more quickly than Gauss Seidel and parallelizes the code in energy such that Denovo can use hundreds of thousand of cores effectively. The second is Rayleigh quotient iteration (RQI), an old method applied in a new context. This eigenvalue solver finds the dominant eigenvalue in a mathematically optimal way and should converge in fewer iterations than power iteration. RQI creates energy-block-dense equations that the new Krylov solver treats efficiently. However, RQI can have convergence problems because it creates poorly conditioned systems. This can be overcome with preconditioning. The third method is a multigrid-in-energy preconditioner. The preconditioner takes advantage of the new energy decomposition because the grids are in energy rather than space or angle. The preconditioner greatly reduces iteration count for many problem types and scales well in energy. It also allows RQI to be successful for problems it could not solve otherwise. The methods added to Denovo accomplish the goals of this work. They converge in fewer iterations than traditional methods and enable the use of hundreds of thousands of cores. Each method can be used individually, with the multigroup Krylov solver and multigrid-in-energy preconditioner being particularly successful on their own. The largest benefit, though, comes from using these methods in concert.

Design of specially adapted reactive coordinates to economically compute potential and kinetic energy operators including geometry relaxation

NASA Astrophysics Data System (ADS)

Thallmair, Sebastian; Roos, Matthias K.; de Vivie-Riedle, Regina

2016-06-01

Quantum dynamics simulations require prior knowledge of the potential energy surface as well as the kinetic energy operator. Typically, they are evaluated in a low-dimensional subspace of the full configuration space of the molecule as its dimensionality increases proportional to the number of atoms. This entails the challenge to find the most suitable subspace. We present an approach to design specially adapted reactive coordinates spanning this subspace. In addition to the essential geometric changes, these coordinates take into account the relaxation of the non-reactive coordinates without the necessity of performing geometry optimizations at each grid point. The method is demonstrated for an ultrafast photoinduced bond cleavage in a commonly used organic precursor for the generation of electrophiles. The potential energy surfaces for the reaction as well as the Wilson G-matrix as part of the kinetic energy operator are shown for a complex chemical reaction, both including the relaxation of the non-reactive coordinates on equal footing. A microscopic interpretation of the shape of the G-matrix elements allows to analyze the impact of the non-reactive coordinates on the kinetic energy operator. Additionally, we compare quantum dynamics simulations with and without the relaxation of the non-reactive coordinates included in the kinetic energy operator to demonstrate its influence.

Design of specially adapted reactive coordinates to economically compute potential and kinetic energy operators including geometry relaxation.

PubMed

Thallmair, Sebastian; Roos, Matthias K; de Vivie-Riedle, Regina

2016-06-21

Quantum dynamics simulations require prior knowledge of the potential energy surface as well as the kinetic energy operator. Typically, they are evaluated in a low-dimensional subspace of the full configuration space of the molecule as its dimensionality increases proportional to the number of atoms. This entails the challenge to find the most suitable subspace. We present an approach to design specially adapted reactive coordinates spanning this subspace. In addition to the essential geometric changes, these coordinates take into account the relaxation of the non-reactive coordinates without the necessity of performing geometry optimizations at each grid point. The method is demonstrated for an ultrafast photoinduced bond cleavage in a commonly used organic precursor for the generation of electrophiles. The potential energy surfaces for the reaction as well as the Wilson G-matrix as part of the kinetic energy operator are shown for a complex chemical reaction, both including the relaxation of the non-reactive coordinates on equal footing. A microscopic interpretation of the shape of the G-matrix elements allows to analyze the impact of the non-reactive coordinates on the kinetic energy operator. Additionally, we compare quantum dynamics simulations with and without the relaxation of the non-reactive coordinates included in the kinetic energy operator to demonstrate its influence.

Stochastic Least-Squares Petrov--Galerkin Method for Parameterized Linear Systems

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

Lee, Kookjin; Carlberg, Kevin; Elman, Howard C.

Here, we consider the numerical solution of parameterized linear systems where the system matrix, the solution, and the right-hand side are parameterized by a set of uncertain input parameters. We explore spectral methods in which the solutions are approximated in a chosen finite-dimensional subspace. It has been shown that the stochastic Galerkin projection technique fails to minimize any measure of the solution error. As a remedy for this, we propose a novel stochatic least-squares Petrov--Galerkin (LSPG) method. The proposed method is optimal in the sense that it produces the solution that minimizes a weightedmore » $$\\ell^2$$-norm of the residual over all solutions in a given finite-dimensional subspace. Moreover, the method can be adapted to minimize the solution error in different weighted $$\\ell^2$$-norms by simply applying a weighting function within the least-squares formulation. In addition, a goal-oriented seminorm induced by an output quantity of interest can be minimized by defining a weighting function as a linear functional of the solution. We establish optimality and error bounds for the proposed method, and extensive numerical experiments show that the weighted LSPG method outperforms other spectral methods in minimizing corresponding target weighted norms.« less

Optimal image alignment with random projections of manifolds: algorithm and geometric analysis.

PubMed

Kokiopoulou, Effrosyni; Kressner, Daniel; Frossard, Pascal

2011-06-01

This paper addresses the problem of image alignment based on random measurements. Image alignment consists of estimating the relative transformation between a query image and a reference image. We consider the specific problem where the query image is provided in compressed form in terms of linear measurements captured by a vision sensor. We cast the alignment problem as a manifold distance minimization problem in the linear subspace defined by the measurements. The transformation manifold that represents synthesis of shift, rotation, and isotropic scaling of the reference image can be given in closed form when the reference pattern is sparsely represented over a parametric dictionary. We show that the objective function can then be decomposed as the difference of two convex functions (DC) in the particular case where the dictionary is built on Gaussian functions. Thus, the optimization problem becomes a DC program, which in turn can be solved globally by a cutting plane method. The quality of the solution is typically affected by the number of random measurements and the condition number of the manifold that describes the transformations of the reference image. We show that the curvature, which is closely related to the condition number, remains bounded in our image alignment problem, which means that the relative transformation between two images can be determined optimally in a reduced subspace.

Gradient-based adaptation of general gaussian kernels.

PubMed

Glasmachers, Tobias; Igel, Christian

2005-10-01

Gradient-based optimizing of gaussian kernel functions is considered. The gradient for the adaptation of scaling and rotation of the input space is computed to achieve invariance against linear transformations. This is done by using the exponential map as a parameterization of the kernel parameter manifold. By restricting the optimization to a constant trace subspace, the kernel size can be controlled. This is, for example, useful to prevent overfitting when minimizing radius-margin generalization performance measures. The concepts are demonstrated by training hard margin support vector machines on toy data.

Design of a Variational Multiscale Method for Turbulent Compressible Flows

NASA Technical Reports Server (NTRS)

Diosady, Laslo Tibor; Murman, Scott M.

2013-01-01

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

Sparsity-aware tight frame learning with adaptive subspace recognition for multiple fault diagnosis

NASA Astrophysics Data System (ADS)

Zhang, Han; Chen, Xuefeng; Du, Zhaohui; Yang, Boyuan

2017-09-01

It is a challenging problem to design excellent dictionaries to sparsely represent diverse fault information and simultaneously discriminate different fault sources. Therefore, this paper describes and analyzes a novel multiple feature recognition framework which incorporates the tight frame learning technique with an adaptive subspace recognition strategy. The proposed framework consists of four stages. Firstly, by introducing the tight frame constraint into the popular dictionary learning model, the proposed tight frame learning model could be formulated as a nonconvex optimization problem which can be solved by alternatively implementing hard thresholding operation and singular value decomposition. Secondly, the noises are effectively eliminated through transform sparse coding techniques. Thirdly, the denoised signal is decoupled into discriminative feature subspaces by each tight frame filter. Finally, in guidance of elaborately designed fault related sensitive indexes, latent fault feature subspaces can be adaptively recognized and multiple faults are diagnosed simultaneously. Extensive numerical experiments are sequently implemented to investigate the sparsifying capability of the learned tight frame as well as its comprehensive denoising performance. Most importantly, the feasibility and superiority of the proposed framework is verified through performing multiple fault diagnosis of motor bearings. Compared with the state-of-the-art fault detection techniques, some important advantages have been observed: firstly, the proposed framework incorporates the physical prior with the data-driven strategy and naturally multiple fault feature with similar oscillation morphology can be adaptively decoupled. Secondly, the tight frame dictionary directly learned from the noisy observation can significantly promote the sparsity of fault features compared to analytical tight frames. Thirdly, a satisfactory complete signal space description property is guaranteed and thus weak feature leakage problem is avoided compared to typical learning methods.

Non-Convex Sparse and Low-Rank Based Robust Subspace Segmentation for Data Mining.

PubMed

Cheng, Wenlong; Zhao, Mingbo; Xiong, Naixue; Chui, Kwok Tai

2017-07-15

Parsimony, including sparsity and low-rank, has shown great importance for data mining in social networks, particularly in tasks such as segmentation and recognition. Traditionally, such modeling approaches rely on an iterative algorithm that minimizes an objective function with convex l ₁-norm or nuclear norm constraints. However, the obtained results by convex optimization are usually suboptimal to solutions of original sparse or low-rank problems. In this paper, a novel robust subspace segmentation algorithm has been proposed by integrating l p -norm and Schatten p -norm constraints. Our so-obtained affinity graph can better capture local geometrical structure and the global information of the data. As a consequence, our algorithm is more generative, discriminative and robust. An efficient linearized alternating direction method is derived to realize our model. Extensive segmentation experiments are conducted on public datasets. The proposed algorithm is revealed to be more effective and robust compared to five existing algorithms.

Inverse transport calculations in optical imaging with subspace optimization algorithms

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

Ding, Tian, E-mail: tding@math.utexas.edu; Ren, Kui, E-mail: ren@math.utexas.edu

2014-09-15

Inverse boundary value problems for the radiative transport equation play an important role in optics-based medical imaging techniques such as diffuse optical tomography (DOT) and fluorescence optical tomography (FOT). Despite the rapid progress in the mathematical theory and numerical computation of these inverse problems in recent years, developing robust and efficient reconstruction algorithms remains a challenging task and an active research topic. We propose here a robust reconstruction method that is based on subspace minimization techniques. The method splits the unknown transport solution (or a functional of it) into low-frequency and high-frequency components, and uses singular value decomposition to analyticallymore » recover part of low-frequency information. Minimization is then applied to recover part of the high-frequency components of the unknowns. We present some numerical simulations with synthetic data to demonstrate the performance of the proposed algorithm.« less

A variable structure approach to robust control of VTOL aircraft

NASA Technical Reports Server (NTRS)

Calise, A. J.; Kramer, F.

1982-01-01

This paper examines the application of variable structure control theory to the design of a flight control system for the AV-8A Harrier in a hover mode. The objective in variable structure design is to confine the motion to a subspace of the total state space. The motion in this subspace is insensitive to system parameter variations and external disturbances that lie in the range space of the control. A switching type of control law results from the design procedure. The control system was designed to track a vector velocity command defined in the body frame. For comparison purposes, a proportional controller was designed using optimal linear regulator theory. Both control designs were first evaluated for transient response performance using a linearized model, then a nonlinear simulation study of a hovering approach to landing was conducted. Wind turbulence was modeled using a 1052 destroyer class air wake model.

Eigenvalue Solvers for Modeling Nuclear Reactors on Leadership Class Machines

DOE PAGES

Slaybaugh, R. N.; Ramirez-Zweiger, M.; Pandya, Tara; ...

2018-02-20

In this paper, three complementary methods have been implemented in the code Denovo that accelerate neutral particle transport calculations with methods that use leadership-class computers fully and effectively: a multigroup block (MG) Krylov solver, a Rayleigh quotient iteration (RQI) eigenvalue solver, and a multigrid in energy (MGE) preconditioner. The MG Krylov solver converges more quickly than Gauss Seidel and enables energy decomposition such that Denovo can scale to hundreds of thousands of cores. RQI should converge in fewer iterations than power iteration (PI) for large and challenging problems. RQI creates shifted systems that would not be tractable without the MGmore » Krylov solver. It also creates ill-conditioned matrices. The MGE preconditioner reduces iteration count significantly when used with RQI and takes advantage of the new energy decomposition such that it can scale efficiently. Each individual method has been described before, but this is the first time they have been demonstrated to work together effectively. The combination of solvers enables the RQI eigenvalue solver to work better than the other available solvers for large reactors problems on leadership-class machines. Using these methods together, RQI converged in fewer iterations and in less time than PI for a full pressurized water reactor core. These solvers also performed better than an Arnoldi eigenvalue solver for a reactor benchmark problem when energy decomposition is needed. The MG Krylov, MGE preconditioner, and RQI solver combination also scales well in energy. Finally, this solver set is a strong choice for very large and challenging problems.« less

Eigenvalue Solvers for Modeling Nuclear Reactors on Leadership Class Machines

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

Slaybaugh, R. N.; Ramirez-Zweiger, M.; Pandya, Tara

In this paper, three complementary methods have been implemented in the code Denovo that accelerate neutral particle transport calculations with methods that use leadership-class computers fully and effectively: a multigroup block (MG) Krylov solver, a Rayleigh quotient iteration (RQI) eigenvalue solver, and a multigrid in energy (MGE) preconditioner. The MG Krylov solver converges more quickly than Gauss Seidel and enables energy decomposition such that Denovo can scale to hundreds of thousands of cores. RQI should converge in fewer iterations than power iteration (PI) for large and challenging problems. RQI creates shifted systems that would not be tractable without the MGmore » Krylov solver. It also creates ill-conditioned matrices. The MGE preconditioner reduces iteration count significantly when used with RQI and takes advantage of the new energy decomposition such that it can scale efficiently. Each individual method has been described before, but this is the first time they have been demonstrated to work together effectively. The combination of solvers enables the RQI eigenvalue solver to work better than the other available solvers for large reactors problems on leadership-class machines. Using these methods together, RQI converged in fewer iterations and in less time than PI for a full pressurized water reactor core. These solvers also performed better than an Arnoldi eigenvalue solver for a reactor benchmark problem when energy decomposition is needed. The MG Krylov, MGE preconditioner, and RQI solver combination also scales well in energy. Finally, this solver set is a strong choice for very large and challenging problems.« less

MIBPB: a software package for electrostatic analysis.

PubMed

Chen, Duan; Chen, Zhan; Chen, Changjun; Geng, Weihua; Wei, Guo-Wei

2011-03-01

The Poisson-Boltzmann equation (PBE) is an established model for the electrostatic analysis of biomolecules. The development of advanced computational techniques for the solution of the PBE has been an important topic in the past two decades. This article presents a matched interface and boundary (MIB)-based PBE software package, the MIBPB solver, for electrostatic analysis. The MIBPB has a unique feature that it is the first interface technique-based PBE solver that rigorously enforces the solution and flux continuity conditions at the dielectric interface between the biomolecule and the solvent. For protein molecular surfaces, which may possess troublesome geometrical singularities, the MIB scheme makes the MIBPB by far the only existing PBE solver that is able to deliver the second-order convergence, that is, the accuracy increases four times when the mesh size is halved. The MIBPB method is also equipped with a Dirichlet-to-Neumann mapping technique that builds a Green's function approach to analytically resolve the singular charge distribution in biomolecules in order to obtain reliable solutions at meshes as coarse as 1 Å--whereas it usually takes other traditional PB solvers 0.25 Å to reach similar level of reliability. This work further accelerates the rate of convergence of linear equation systems resulting from the MIBPB by using the Krylov subspace (KS) techniques. Condition numbers of the MIBPB matrices are significantly reduced by using appropriate KS solver and preconditioner combinations. Both linear and nonlinear PBE solvers in the MIBPB package are tested by protein-solvent solvation energy calculations and analysis of salt effects on protein-protein binding energies, respectively. Copyright © 2010 Wiley Periodicals, Inc.

Application of linear multifrequency-grey acceleration to preconditioned Krylov iterations for thermal radiation transport

DOE PAGES

Till, Andrew T.; Warsa, James S.; Morel, Jim E.

2018-06-15

The thermal radiative transfer (TRT) equations comprise a radiation equation coupled to the material internal energy equation. Linearization of these equations produces effective, thermally-redistributed scattering through absorption-reemission. In this paper, we investigate the effectiveness and efficiency of Linear-Multi-Frequency-Grey (LMFG) acceleration that has been reformulated for use as a preconditioner to Krylov iterative solution methods. We introduce two general frameworks, the scalar flux formulation (SFF) and the absorption rate formulation (ARF), and investigate their iterative properties in the absence and presence of true scattering. SFF has a group-dependent state size but may be formulated without inner iterations in the presence ofmore » scattering, while ARF has a group-independent state size but requires inner iterations when scattering is present. We compare and evaluate the computational cost and efficiency of LMFG applied to these two formulations using a direct solver for the preconditioners. Finally, this work is novel because the use of LMFG for the radiation transport equation, in conjunction with Krylov methods, involves special considerations not required for radiation diffusion.« less

Unsupervised spike sorting based on discriminative subspace learning.

PubMed

Keshtkaran, Mohammad Reza; Yang, Zhi

2014-01-01

Spike sorting is a fundamental preprocessing step for many neuroscience studies which rely on the analysis of spike trains. In this paper, we present two unsupervised spike sorting algorithms based on discriminative subspace learning. The first algorithm simultaneously learns the discriminative feature subspace and performs clustering. It uses histogram of features in the most discriminative projection to detect the number of neurons. The second algorithm performs hierarchical divisive clustering that learns a discriminative 1-dimensional subspace for clustering in each level of the hierarchy until achieving almost unimodal distribution in the subspace. The algorithms are tested on synthetic and in-vivo data, and are compared against two widely used spike sorting methods. The comparative results demonstrate that our spike sorting methods can achieve substantially higher accuracy in lower dimensional feature space, and they are highly robust to noise. Moreover, they provide significantly better cluster separability in the learned subspace than in the subspace obtained by principal component analysis or wavelet transform.

Variational second order density matrix study of F3-: importance of subspace constraints for size-consistency.

PubMed

van Aggelen, Helen; Verstichel, Brecht; Bultinck, Patrick; Van Neck, Dimitri; Ayers, Paul W; Cooper, David L

2011-02-07

Variational second order density matrix theory under "two-positivity" constraints tends to dissociate molecules into unphysical fractionally charged products with too low energies. We aim to construct a qualitatively correct potential energy surface for F(3)(-) by applying subspace energy constraints on mono- and diatomic subspaces of the molecular basis space. Monoatomic subspace constraints do not guarantee correct dissociation: the constraints are thus geometry dependent. Furthermore, the number of subspace constraints needed for correct dissociation does not grow linearly with the number of atoms. The subspace constraints do impose correct chemical properties in the dissociation limit and size-consistency, but the structure of the resulting second order density matrix method does not exactly correspond to a system of noninteracting units.

Automated modal parameter estimation using correlation analysis and bootstrap sampling

NASA Astrophysics Data System (ADS)

Yaghoubi, Vahid; Vakilzadeh, Majid K.; Abrahamsson, Thomas J. S.

2018-02-01

The estimation of modal parameters from a set of noisy measured data is a highly judgmental task, with user expertise playing a significant role in distinguishing between estimated physical and noise modes of a test-piece. Various methods have been developed to automate this procedure. The common approach is to identify models with different orders and cluster similar modes together. However, most proposed methods based on this approach suffer from high-dimensional optimization problems in either the estimation or clustering step. To overcome this problem, this study presents an algorithm for autonomous modal parameter estimation in which the only required optimization is performed in a three-dimensional space. To this end, a subspace-based identification method is employed for the estimation and a non-iterative correlation-based method is used for the clustering. This clustering is at the heart of the paper. The keys to success are correlation metrics that are able to treat the problems of spatial eigenvector aliasing and nonunique eigenvectors of coalescent modes simultaneously. The algorithm commences by the identification of an excessively high-order model from frequency response function test data. The high number of modes of this model provides bases for two subspaces: one for likely physical modes of the tested system and one for its complement dubbed the subspace of noise modes. By employing the bootstrap resampling technique, several subsets are generated from the same basic dataset and for each of them a model is identified to form a set of models. Then, by correlation analysis with the two aforementioned subspaces, highly correlated modes of these models which appear repeatedly are clustered together and the noise modes are collected in a so-called Trashbox cluster. Stray noise modes attracted to the mode clusters are trimmed away in a second step by correlation analysis. The final step of the algorithm is a fuzzy c-means clustering procedure applied to a three-dimensional feature space to assign a degree of physicalness to each cluster. The proposed algorithm is applied to two case studies: one with synthetic data and one with real test data obtained from a hammer impact test. The results indicate that the algorithm successfully clusters similar modes and gives a reasonable quantification of the extent to which each cluster is physical.

A method for exponential propagation of large systems of stiff nonlinear differential equations

NASA Technical Reports Server (NTRS)

Friesner, Richard A.; Tuckerman, Laurette S.; Dornblaser, Bright C.; Russo, Thomas V.

1989-01-01

A new time integrator for large, stiff systems of linear and nonlinear coupled differential equations is described. For linear systems, the method consists of forming a small (5-15-term) Krylov space using the Jacobian of the system and carrying out exact exponential propagation within this space. Nonlinear corrections are incorporated via a convolution integral formalism; the integral is evaluated via approximate Krylov methods as well. Gains in efficiency ranging from factors of 2 to 30 are demonstrated for several test problems as compared to a forward Euler scheme and to the integration package LSODE.

Speedup for quantum optimal control from automatic differentiation based on graphics processing units

NASA Astrophysics Data System (ADS)

Leung, Nelson; Abdelhafez, Mohamed; Koch, Jens; Schuster, David

2017-04-01

We implement a quantum optimal control algorithm based on automatic differentiation and harness the acceleration afforded by graphics processing units (GPUs). Automatic differentiation allows us to specify advanced optimization criteria and incorporate them in the optimization process with ease. We show that the use of GPUs can speedup calculations by more than an order of magnitude. Our strategy facilitates efficient numerical simulations on affordable desktop computers and exploration of a host of optimization constraints and system parameters relevant to real-life experiments. We demonstrate optimization of quantum evolution based on fine-grained evaluation of performance at each intermediate time step, thus enabling more intricate control on the evolution path, suppression of departures from the truncated model subspace, as well as minimization of the physical time needed to perform high-fidelity state preparation and unitary gates.

Conformational states and folding pathways of peptides revealed by principal-independent component analyses.

PubMed

Nguyen, Phuong H

2007-05-15

Principal component analysis is a powerful method for projecting multidimensional conformational space of peptides or proteins onto lower dimensional subspaces in which the main conformations are present, making it easier to reveal the structures of molecules from e.g. molecular dynamics simulation trajectories. However, the identification of all conformational states is still difficult if the subspaces consist of more than two dimensions. This is mainly due to the fact that the principal components are not independent with each other, and states in the subspaces cannot be visualized. In this work, we propose a simple and fast scheme that allows one to obtain all conformational states in the subspaces. The basic idea is that instead of directly identifying the states in the subspace spanned by principal components, we first transform this subspace into another subspace formed by components that are independent of one other. These independent components are obtained from the principal components by employing the independent component analysis method. Because of independence between components, all states in this new subspace are defined as all possible combinations of the states obtained from each single independent component. This makes the conformational analysis much simpler. We test the performance of the method by analyzing the conformations of the glycine tripeptide and the alanine hexapeptide. The analyses show that our method is simple and quickly reveal all conformational states in the subspaces. The folding pathways between the identified states of the alanine hexapeptide are analyzed and discussed in some detail. 2007 Wiley-Liss, Inc.

Constructing the L2-Graph for Robust Subspace Learning and Subspace Clustering.

PubMed

Peng, Xi; Yu, Zhiding; Yi, Zhang; Tang, Huajin

2017-04-01

Under the framework of graph-based learning, the key to robust subspace clustering and subspace learning is to obtain a good similarity graph that eliminates the effects of errors and retains only connections between the data points from the same subspace (i.e., intrasubspace data points). Recent works achieve good performance by modeling errors into their objective functions to remove the errors from the inputs. However, these approaches face the limitations that the structure of errors should be known prior and a complex convex problem must be solved. In this paper, we present a novel method to eliminate the effects of the errors from the projection space (representation) rather than from the input space. We first prove that l 1 -, l 2 -, l ∞ -, and nuclear-norm-based linear projection spaces share the property of intrasubspace projection dominance, i.e., the coefficients over intrasubspace data points are larger than those over intersubspace data points. Based on this property, we introduce a method to construct a sparse similarity graph, called L2-graph. The subspace clustering and subspace learning algorithms are developed upon L2-graph. We conduct comprehensive experiment on subspace learning, image clustering, and motion segmentation and consider several quantitative benchmarks classification/clustering accuracy, normalized mutual information, and running time. Results show that L2-graph outperforms many state-of-the-art methods in our experiments, including L1-graph, low rank representation (LRR), and latent LRR, least square regression, sparse subspace clustering, and locally linear representation.

A hyperspectral imagery anomaly detection algorithm based on local three-dimensional orthogonal subspace projection

NASA Astrophysics Data System (ADS)

Zhang, Xing; Wen, Gongjian

2015-10-01

Anomaly detection (AD) becomes increasingly important in hyperspectral imagery analysis with many practical applications. Local orthogonal subspace projection (LOSP) detector is a popular anomaly detector which exploits local endmembers/eigenvectors around the pixel under test (PUT) to construct background subspace. However, this subspace only takes advantage of the spectral information, but the spatial correlat ion of the background clutter is neglected, which leads to the anomaly detection result sensitive to the accuracy of the estimated subspace. In this paper, a local three dimensional orthogonal subspace projection (3D-LOSP) algorithm is proposed. Firstly, under the jointly use of both spectral and spatial information, three directional background subspaces are created along the image height direction, the image width direction and the spectral direction, respectively. Then, the three corresponding orthogonal subspaces are calculated. After that, each vector along three direction of the local cube is projected onto the corresponding orthogonal subspace. Finally, a composite score is given through the three direction operators. In 3D-LOSP, the anomalies are redefined as the target not only spectrally different to the background, but also spatially distinct. Thanks to the addition of the spatial information, the robustness of the anomaly detection result has been improved greatly by the proposed 3D-LOSP algorithm. It is noteworthy that the proposed algorithm is an expansion of LOSP and this ideology can inspire many other spectral-based anomaly detection methods. Experiments with real hyperspectral images have proved the stability of the detection result.

An alternative subspace approach to EEG dipole source localization

NASA Astrophysics Data System (ADS)

Xu, Xiao-Liang; Xu, Bobby; He, Bin

2004-01-01

In the present study, we investigate a new approach to electroencephalography (EEG) three-dimensional (3D) dipole source localization by using a non-recursive subspace algorithm called FINES. In estimating source dipole locations, the present approach employs projections onto a subspace spanned by a small set of particular vectors (FINES vector set) in the estimated noise-only subspace instead of the entire estimated noise-only subspace in the case of classic MUSIC. The subspace spanned by this vector set is, in the sense of principal angle, closest to the subspace spanned by the array manifold associated with a particular brain region. By incorporating knowledge of the array manifold in identifying FINES vector sets in the estimated noise-only subspace for different brain regions, the present approach is able to estimate sources with enhanced accuracy and spatial resolution, thus enhancing the capability of resolving closely spaced sources and reducing estimation errors. The present computer simulations show, in EEG 3D dipole source localization, that compared to classic MUSIC, FINES has (1) better resolvability of two closely spaced dipolar sources and (2) better estimation accuracy of source locations. In comparison with RAP-MUSIC, FINES' performance is also better for the cases studied when the noise level is high and/or correlations among dipole sources exist.

Nonadiabatic holonomic quantum computation in decoherence-free subspaces.

PubMed

Xu, G F; Zhang, J; Tong, D M; Sjöqvist, Erik; Kwek, L C

2012-10-26

Quantum computation that combines the coherence stabilization virtues of decoherence-free subspaces and the fault tolerance of geometric holonomic control is of great practical importance. Some schemes of adiabatic holonomic quantum computation in decoherence-free subspaces have been proposed in the past few years. However, nonadiabatic holonomic quantum computation in decoherence-free subspaces, which avoids a long run-time requirement but with all the robust advantages, remains an open problem. Here, we demonstrate how to realize nonadiabatic holonomic quantum computation in decoherence-free subspaces. By using only three neighboring physical qubits undergoing collective dephasing to encode one logical qubit, we realize a universal set of quantum gates.

Seismic noise attenuation using an online subspace tracking algorithm

NASA Astrophysics Data System (ADS)

Zhou, Yatong; Li, Shuhua; Zhang, Dong; Chen, Yangkang

2018-02-01

We propose a new low-rank based noise attenuation method using an efficient algorithm for tracking subspaces from highly corrupted seismic observations. The subspace tracking algorithm requires only basic linear algebraic manipulations. The algorithm is derived by analysing incremental gradient descent on the Grassmannian manifold of subspaces. When the multidimensional seismic data are mapped to a low-rank space, the subspace tracking algorithm can be directly applied to the input low-rank matrix to estimate the useful signals. Since the subspace tracking algorithm is an online algorithm, it is more robust to random noise than traditional truncated singular value decomposition (TSVD) based subspace tracking algorithm. Compared with the state-of-the-art algorithms, the proposed denoising method can obtain better performance. More specifically, the proposed method outperforms the TSVD-based singular spectrum analysis method in causing less residual noise and also in saving half of the computational cost. Several synthetic and field data examples with different levels of complexities demonstrate the effectiveness and robustness of the presented algorithm in rejecting different types of noise including random noise, spiky noise, blending noise, and coherent noise.

Design of specially adapted reactive coordinates to economically compute potential and kinetic energy operators including geometry relaxation

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

Thallmair, Sebastian; Lehrstuhl für BioMolekulare Optik, Ludwig-Maximilians-Universität München, D-80538 München; Roos, Matthias K.

Quantum dynamics simulations require prior knowledge of the potential energy surface as well as the kinetic energy operator. Typically, they are evaluated in a low-dimensional subspace of the full configuration space of the molecule as its dimensionality increases proportional to the number of atoms. This entails the challenge to find the most suitable subspace. We present an approach to design specially adapted reactive coordinates spanning this subspace. In addition to the essential geometric changes, these coordinates take into account the relaxation of the non-reactive coordinates without the necessity of performing geometry optimizations at each grid point. The method is demonstratedmore » for an ultrafast photoinduced bond cleavage in a commonly used organic precursor for the generation of electrophiles. The potential energy surfaces for the reaction as well as the Wilson G-matrix as part of the kinetic energy operator are shown for a complex chemical reaction, both including the relaxation of the non-reactive coordinates on equal footing. A microscopic interpretation of the shape of the G-matrix elements allows to analyze the impact of the non-reactive coordinates on the kinetic energy operator. Additionally, we compare quantum dynamics simulations with and without the relaxation of the non-reactive coordinates included in the kinetic energy operator to demonstrate its influence.« less

Sub-grid scale models for discontinuous Galerkin methods based on the Mori-Zwanzig formalism

NASA Astrophysics Data System (ADS)

Parish, Eric; Duraisamy, Karthk

2017-11-01

The optimal prediction framework of Chorin et al., which is a reformulation of the Mori-Zwanzig (M-Z) formalism of non-equilibrium statistical mechanics, provides a framework for the development of mathematically-derived closure models. The M-Z formalism provides a methodology to reformulate a high-dimensional Markovian dynamical system as a lower-dimensional, non-Markovian (non-local) system. In this lower-dimensional system, the effects of the unresolved scales on the resolved scales are non-local and appear as a convolution integral. The non-Markovian system is an exact statement of the original dynamics and is used as a starting point for model development. In this work, we investigate the development of M-Z-based closures model within the context of the Variational Multiscale Method (VMS). The method relies on a decomposition of the solution space into two orthogonal subspaces. The impact of the unresolved subspace on the resolved subspace is shown to be non-local in time and is modeled through the M-Z-formalism. The models are applied to hierarchical discontinuous Galerkin discretizations. Commonalities between the M-Z closures and conventional flux schemes are explored. This work was supported in part by AFOSR under the project ''LES Modeling of Non-local effects using Statistical Coarse-graining'' with Dr. Jean-Luc Cambier as the technical monitor.

Subspace methods for identification of human ankle joint stiffness.

PubMed

Zhao, Y; Westwick, D T; Kearney, R E

2011-11-01

Joint stiffness, the dynamic relationship between the angular position of a joint and the torque acting about it, describes the dynamic, mechanical behavior of a joint during posture and movement. Joint stiffness arises from both intrinsic and reflex mechanisms, but the torques due to these mechanisms cannot be measured separately experimentally, since they appear and change together. Therefore, the direct estimation of the intrinsic and reflex stiffnesses is difficult. In this paper, we present a new, two-step procedure to estimate the intrinsic and reflex components of ankle stiffness. In the first step, a discrete-time, subspace-based method is used to estimate a state-space model for overall stiffness from the measured overall torque and then predict the intrinsic and reflex torques. In the second step, continuous-time models for the intrinsic and reflex stiffnesses are estimated from the predicted intrinsic and reflex torques. Simulations and experimental results demonstrate that the algorithm estimates the intrinsic and reflex stiffnesses accurately. The new subspace-based algorithm has three advantages over previous algorithms: 1) It does not require iteration, and therefore, will always converge to an optimal solution; 2) it provides better estimates for data with high noise or short sample lengths; and 3) it provides much more accurate results for data acquired under the closed-loop conditions, that prevail when subjects interact with compliant loads.

Low-Rank Discriminant Embedding for Multiview Learning.

PubMed

Li, Jingjing; Wu, Yue; Zhao, Jidong; Lu, Ke

2017-11-01

This paper focuses on the specific problem of multiview learning where samples have the same feature set but different probability distributions, e.g., different viewpoints or different modalities. Since samples lying in different distributions cannot be compared directly, this paper aims to learn a latent subspace shared by multiple views assuming that the input views are generated from this latent subspace. Previous approaches usually learn the common subspace by either maximizing the empirical likelihood, or preserving the geometric structure. However, considering the complementarity between the two objectives, this paper proposes a novel approach, named low-rank discriminant embedding (LRDE), for multiview learning by taking full advantage of both sides. By further considering the duality between data points and features of multiview scene, i.e., data points can be grouped based on their distribution on features, while features can be grouped based on their distribution on the data points, LRDE not only deploys low-rank constraints on both sample level and feature level to dig out the shared factors across different views, but also preserves geometric information in both the ambient sample space and the embedding feature space by designing a novel graph structure under the framework of graph embedding. Finally, LRDE jointly optimizes low-rank representation and graph embedding in a unified framework. Comprehensive experiments in both multiview manner and pairwise manner demonstrate that LRDE performs much better than previous approaches proposed in recent literatures.

Base norms and discrimination of generalized quantum channels

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

Jenčová, A.

2014-02-15

We introduce and study norms in the space of hermitian matrices, obtained from base norms in positively generated subspaces. These norms are closely related to discrimination of so-called generalized quantum channels, including quantum states, channels, and networks. We further introduce generalized quantum decision problems and show that the maximal average payoffs of decision procedures are again given by these norms. We also study optimality of decision procedures, in particular, we obtain a necessary and sufficient condition under which an optimal 1-tester for discrimination of quantum channels exists, such that the input state is maximally entangled.

Hypercyclic subspaces for Frechet space operators

NASA Astrophysics Data System (ADS)

Petersson, Henrik

2006-07-01

A continuous linear operator is hypercyclic if there is an such that the orbit {Tnx} is dense, and such a vector x is said to be hypercyclic for T. Recent progress show that it is possible to characterize Banach space operators that have a hypercyclic subspace, i.e., an infinite dimensional closed subspace of, except for zero, hypercyclic vectors. The following is known to hold: A Banach space operator T has a hypercyclic subspace if there is a sequence (ni) and an infinite dimensional closed subspace such that T is hereditarily hypercyclic for (ni) and Tni->0 pointwise on E. In this note we extend this result to the setting of Frechet spaces that admit a continuous norm, and study some applications for important function spaces. As an application we also prove that any infinite dimensional separable Frechet space with a continuous norm admits an operator with a hypercyclic subspace.

A Variational Approach to Video Registration with Subspace Constraints.

PubMed

Garg, Ravi; Roussos, Anastasios; Agapito, Lourdes

2013-01-01

This paper addresses the problem of non-rigid video registration, or the computation of optical flow from a reference frame to each of the subsequent images in a sequence, when the camera views deformable objects. We exploit the high correlation between 2D trajectories of different points on the same non-rigid surface by assuming that the displacement of any point throughout the sequence can be expressed in a compact way as a linear combination of a low-rank motion basis. This subspace constraint effectively acts as a trajectory regularization term leading to temporally consistent optical flow. We formulate it as a robust soft constraint within a variational framework by penalizing flow fields that lie outside the low-rank manifold. The resulting energy functional can be decoupled into the optimization of the brightness constancy and spatial regularization terms, leading to an efficient optimization scheme. Additionally, we propose a novel optimization scheme for the case of vector valued images, based on the dualization of the data term. This allows us to extend our approach to deal with colour images which results in significant improvements on the registration results. Finally, we provide a new benchmark dataset, based on motion capture data of a flag waving in the wind, with dense ground truth optical flow for evaluation of multi-frame optical flow algorithms for non-rigid surfaces. Our experiments show that our proposed approach outperforms state of the art optical flow and dense non-rigid registration algorithms.

Three-dimensional Finite Element Formulation and Scalable Domain Decomposition for High Fidelity Rotor Dynamic Analysis

NASA Technical Reports Server (NTRS)

Datta, Anubhav; Johnson, Wayne R.

2009-01-01

This paper has two objectives. The first objective is to formulate a 3-dimensional Finite Element Model for the dynamic analysis of helicopter rotor blades. The second objective is to implement and analyze a dual-primal iterative substructuring based Krylov solver, that is parallel and scalable, for the solution of the 3-D FEM analysis. The numerical and parallel scalability of the solver is studied using two prototype problems - one for ideal hover (symmetric) and one for a transient forward flight (non-symmetric) - both carried out on up to 48 processors. In both hover and forward flight conditions, a perfect linear speed-up is observed, for a given problem size, up to the point of substructure optimality. Substructure optimality and the linear parallel speed-up range are both shown to depend on the problem size as well as on the selection of the coarse problem. With a larger problem size, linear speed-up is restored up to the new substructure optimality. The solver also scales with problem size - even though this conclusion is premature given the small prototype grids considered in this study.

A Composite Algorithm for Mixed Integer Constrained Nonlinear Optimization.

DTIC Science & Technology

1980-01-01

de Silva [141, and Weisman and Wood [76). A particular direct search algorithm, the simplex method, has been cited for having the potential for...spaced discrete points on a line which makes the direction suitable for an efficient integer search technique based on Fibonacci numbers. Two...defined by a subset of variables. The complex algorithm is particularly well suited for this subspace search for two reasons. First, the complex method

Grid generation and adaptation via Monge-Kantorovich optimization in 2D and 3D

NASA Astrophysics Data System (ADS)

Delzanno, Gian Luca; Chacon, Luis; Finn, John M.

2008-11-01

In a recent paper [1], Monge-Kantorovich (MK) optimization was proposed as a method of grid generation/adaptation in two dimensions (2D). The method is based on the minimization of the L2 norm of grid point displacement, constrained to producing a given positive-definite cell volume distribution (equidistribution constraint). The procedure gives rise to the Monge-Amp'ere (MA) equation: a single, non-linear scalar equation with no free-parameters. The MA equation was solved in Ref. [1] with the Jacobian Free Newton-Krylov technique and several challenging test cases were presented in squared domains in 2D. Here, we extend the work of Ref. [1]. We first formulate the MK approach in physical domains with curved boundary elements and in 3D. We then show the results of applying it to these more general cases. We show that MK optimization produces optimal grids in which the constraint is satisfied numerically to truncation error. [1] G.L. Delzanno, L. Chac'on, J.M. Finn, Y. Chung, G. Lapenta, A new, robust equidistribution method for two-dimensional grid generation, submitted to Journal of Computational Physics (2008).

Subspace K-means clustering.

PubMed

Timmerman, Marieke E; Ceulemans, Eva; De Roover, Kim; Van Leeuwen, Karla

2013-12-01

To achieve an insightful clustering of multivariate data, we propose subspace K-means. Its central idea is to model the centroids and cluster residuals in reduced spaces, which allows for dealing with a wide range of cluster types and yields rich interpretations of the clusters. We review the existing related clustering methods, including deterministic, stochastic, and unsupervised learning approaches. To evaluate subspace K-means, we performed a comparative simulation study, in which we manipulated the overlap of subspaces, the between-cluster variance, and the error variance. The study shows that the subspace K-means algorithm is sensitive to local minima but that the problem can be reasonably dealt with by using partitions of various cluster procedures as a starting point for the algorithm. Subspace K-means performs very well in recovering the true clustering across all conditions considered and appears to be superior to its competitor methods: K-means, reduced K-means, factorial K-means, mixtures of factor analyzers (MFA), and MCLUST. The best competitor method, MFA, showed a performance similar to that of subspace K-means in easy conditions but deteriorated in more difficult ones. Using data from a study on parental behavior, we show that subspace K-means analysis provides a rich insight into the cluster characteristics, in terms of both the relative positions of the clusters (via the centroids) and the shape of the clusters (via the within-cluster residuals).

Recovery Discontinuous Galerkin Jacobian-Free Newton-Krylov Method for All-Speed Flows

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

HyeongKae Park; Robert Nourgaliev; Vincent Mousseau

2008-07-01

A novel numerical algorithm (rDG-JFNK) for all-speed fluid flows with heat conduction and viscosity is introduced. The rDG-JFNK combines the Discontinuous Galerkin spatial discretization with the implicit Runge-Kutta time integration under the Jacobian-free Newton-Krylov framework. We solve fully-compressible Navier-Stokes equations without operator-splitting of hyperbolic, diffusion and reaction terms, which enables fully-coupled high-order temporal discretization. The stability constraint is removed due to the L-stable Explicit, Singly Diagonal Implicit Runge-Kutta (ESDIRK) scheme. The governing equations are solved in the conservative form, which allows one to accurately compute shock dynamics, as well as low-speed flows. For spatial discretization, we develop a “recovery” familymore » of DG, exhibiting nearly-spectral accuracy. To precondition the Krylov-based linear solver (GMRES), we developed an “Operator-Split”-(OS) Physics Based Preconditioner (PBP), in which we transform/simplify the fully-coupled system to a sequence of segregated scalar problems, each can be solved efficiently with Multigrid method. Each scalar problem is designed to target/cluster eigenvalues of the Jacobian matrix associated with a specific physics.« less

Globalized Newton-Krylov-Schwarz Algorithms and Software for Parallel Implicit CFD

NASA Technical Reports Server (NTRS)

Gropp, W. D.; Keyes, D. E.; McInnes, L. C.; Tidriri, M. D.

1998-01-01

Implicit solution methods are important in applications modeled by PDEs with disparate temporal and spatial scales. Because such applications require high resolution with reasonable turnaround, "routine" parallelization is essential. The pseudo-transient matrix-free Newton-Krylov-Schwarz (Psi-NKS) algorithmic framework is presented as an answer. We show that, for the classical problem of three-dimensional transonic Euler flow about an M6 wing, Psi-NKS can simultaneously deliver: globalized, asymptotically rapid convergence through adaptive pseudo- transient continuation and Newton's method-, reasonable parallelizability for an implicit method through deferred synchronization and favorable communication-to-computation scaling in the Krylov linear solver; and high per- processor performance through attention to distributed memory and cache locality, especially through the Schwarz preconditioner. Two discouraging features of Psi-NKS methods are their sensitivity to the coding of the underlying PDE discretization and the large number of parameters that must be selected to govern convergence. We therefore distill several recommendations from our experience and from our reading of the literature on various algorithmic components of Psi-NKS, and we describe a freely available, MPI-based portable parallel software implementation of the solver employed here.

MC ray-tracing optimization of lobster-eye focusing devices with RESTRAX

NASA Astrophysics Data System (ADS)

Šaroun, Jan; Kulda, Jiří

2006-11-01

The enhanced functionalities of the latest version of the RESTRAX software, providing a high-speed Monte Carlo (MC) ray-tracing code to represent a virtual three-axis neutron spectrometer, include representation of parabolic and elliptic guide profiles and facilities for numerical optimization of parameter values, characterizing the instrument components. As examples, we present simulations of a doubly focusing monochromator in combination with cold neutron guides and lobster-eye supermirror devices, concentrating a monochromatic beam to small sample volumes. A Levenberg-Marquardt minimization algorithm is used to optimize simultaneously several parameters of the monochromator and lobster-eye guides. We compare the performance of optimized configurations in terms of monochromatic neutron flux and energy spread and demonstrate the effect of lobster-eye optics on beam transformations in real and momentum subspaces.

Voronoi Diagram Based Optimization of Dynamic Reactive Power Sources

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

Huang, Weihong; Sun, Kai; Qi, Junjian

2015-01-01

Dynamic var sources can effectively mitigate fault-induced delayed voltage recovery (FIDVR) issues or even voltage collapse. This paper proposes a new approach to optimization of the sizes of dynamic var sources at candidate locations by a Voronoi diagram based algorithm. It first disperses sample points of potential solutions in a searching space, evaluates a cost function at each point by barycentric interpolation for the subspaces around the point, and then constructs a Voronoi diagram about cost function values over the entire space. Accordingly, the final optimal solution can be obtained. Case studies on the WSCC 9-bus system and NPCC 140-busmore » system have validated that the new approach can quickly identify the boundary of feasible solutions in searching space and converge to the global optimal solution.« less

Dual signal subspace projection (DSSP): a novel algorithm for removing large interference in biomagnetic measurements

NASA Astrophysics Data System (ADS)

Sekihara, Kensuke; Kawabata, Yuya; Ushio, Shuta; Sumiya, Satoshi; Kawabata, Shigenori; Adachi, Yoshiaki; Nagarajan, Srikantan S.

2016-06-01

Objective. In functional electrophysiological imaging, signals are often contaminated by interference that can be of considerable magnitude compared to the signals of interest. This paper proposes a novel algorithm for removing such interferences that does not require separate noise measurements. Approach. The algorithm is based on a dual definition of the signal subspace in the spatial- and time-domains. Since the algorithm makes use of this duality, it is named the dual signal subspace projection (DSSP). The DSSP algorithm first projects the columns of the measured data matrix onto the inside and outside of the spatial-domain signal subspace, creating a set of two preprocessed data matrices. The intersection of the row spans of these two matrices is estimated as the time-domain interference subspace. The original data matrix is projected onto the subspace that is orthogonal to this interference subspace. Main results. The DSSP algorithm is validated by using the computer simulation, and using two sets of real biomagnetic data: spinal cord evoked field data measured from a healthy volunteer and magnetoencephalography data from a patient with a vagus nerve stimulator. Significance. The proposed DSSP algorithm is effective for removing overlapped interference in a wide variety of biomagnetic measurements.

Advanced Information Technology in Simulation Based Life Cycle Design

NASA Technical Reports Server (NTRS)

Renaud, John E.

2003-01-01

In this research a Collaborative Optimization (CO) approach for multidisciplinary systems design is used to develop a decision based design framework for non-deterministic optimization. To date CO strategies have been developed for use in application to deterministic systems design problems. In this research the decision based design (DBD) framework proposed by Hazelrigg is modified for use in a collaborative optimization framework. The Hazelrigg framework as originally proposed provides a single level optimization strategy that combines engineering decisions with business decisions in a single level optimization. By transforming this framework for use in collaborative optimization one can decompose the business and engineering decision making processes. In the new multilevel framework of Decision Based Collaborative Optimization (DBCO) the business decisions are made at the system level. These business decisions result in a set of engineering performance targets that disciplinary engineering design teams seek to satisfy as part of subspace optimizations. The Decision Based Collaborative Optimization framework more accurately models the existing relationship between business and engineering in multidisciplinary systems design.

ASCS online fault detection and isolation based on an improved MPCA

NASA Astrophysics Data System (ADS)

Peng, Jianxin; Liu, Haiou; Hu, Yuhui; Xi, Junqiang; Chen, Huiyan

2014-09-01

Multi-way principal component analysis (MPCA) has received considerable attention and been widely used in process monitoring. A traditional MPCA algorithm unfolds multiple batches of historical data into a two-dimensional matrix and cut the matrix along the time axis to form subspaces. However, low efficiency of subspaces and difficult fault isolation are the common disadvantages for the principal component model. This paper presents a new subspace construction method based on kernel density estimation function that can effectively reduce the storage amount of the subspace information. The MPCA model and the knowledge base are built based on the new subspace. Then, fault detection and isolation with the squared prediction error (SPE) statistic and the Hotelling ( T 2) statistic are also realized in process monitoring. When a fault occurs, fault isolation based on the SPE statistic is achieved by residual contribution analysis of different variables. For fault isolation of subspace based on the T 2 statistic, the relationship between the statistic indicator and state variables is constructed, and the constraint conditions are presented to check the validity of fault isolation. Then, to improve the robustness of fault isolation to unexpected disturbances, the statistic method is adopted to set the relation between single subspace and multiple subspaces to increase the corrective rate of fault isolation. Finally fault detection and isolation based on the improved MPCA is used to monitor the automatic shift control system (ASCS) to prove the correctness and effectiveness of the algorithm. The research proposes a new subspace construction method to reduce the required storage capacity and to prove the robustness of the principal component model, and sets the relationship between the state variables and fault detection indicators for fault isolation.

Robust subspace clustering via joint weighted Schatten-p norm and Lq norm minimization

NASA Astrophysics Data System (ADS)

Zhang, Tao; Tang, Zhenmin; Liu, Qing

2017-05-01

Low-rank representation (LRR) has been successfully applied to subspace clustering. However, the nuclear norm in the standard LRR is not optimal for approximating the rank function in many real-world applications. Meanwhile, the L21 norm in LRR also fails to characterize various noises properly. To address the above issues, we propose an improved LRR method, which achieves low rank property via the new formulation with weighted Schatten-p norm and Lq norm (WSPQ). Specifically, the nuclear norm is generalized to be the Schatten-p norm and different weights are assigned to the singular values, and thus it can approximate the rank function more accurately. In addition, Lq norm is further incorporated into WSPQ to model different noises and improve the robustness. An efficient algorithm based on the inexact augmented Lagrange multiplier method is designed for the formulated problem. Extensive experiments on face clustering and motion segmentation clearly demonstrate the superiority of the proposed WSPQ over several state-of-the-art methods.

An accelerated subspace iteration for eigenvector derivatives

NASA Technical Reports Server (NTRS)

Ting, Tienko

1991-01-01

An accelerated subspace iteration method for calculating eigenvector derivatives has been developed. Factors affecting the effectiveness and the reliability of the subspace iteration are identified, and effective strategies concerning these factors are presented. The method has been implemented, and the results of a demonstration problem are presented.

Modelling Metrics for Mine Counter Measure Operations

DTIC Science & Technology

2014-08-01

the Minister of National Defence, 2014 © Sa Majesté la Reine (en droit du Canada), telle que représentée par le ministre de la Défense nationale, 2014...a random search derived by Koopman is widely used yet it assumes no angular dependence (Ref [10]). In a series of publications considering tactics...Node Placement in Sensor Localization by Optimization of Subspace Principal Angles, In Proceedings of IEEE International Conference on Acoustics

Modulated Hebb-Oja learning rule--a method for principal subspace analysis.

PubMed

Jankovic, Marko V; Ogawa, Hidemitsu

2006-03-01

This paper presents analysis of the recently proposed modulated Hebb-Oja (MHO) method that performs linear mapping to a lower-dimensional subspace. Principal component subspace is the method that will be analyzed. Comparing to some other well-known methods for yielding principal component subspace (e.g., Oja's Subspace Learning Algorithm), the proposed method has one feature that could be seen as desirable from the biological point of view--synaptic efficacy learning rule does not need the explicit information about the value of the other efficacies to make individual efficacy modification. Also, the simplicity of the "neural circuits" that perform global computations and a fact that their number does not depend on the number of input and output neurons, could be seen as good features of the proposed method.

Discrete-State Stochastic Models of Calcium-Regulated Calcium Influx and Subspace Dynamics Are Not Well-Approximated by ODEs That Neglect Concentration Fluctuations

PubMed Central

Weinberg, Seth H.; Smith, Gregory D.

2012-01-01

Cardiac myocyte calcium signaling is often modeled using deterministic ordinary differential equations (ODEs) and mass-action kinetics. However, spatially restricted “domains” associated with calcium influx are small enough (e.g., 10−17 liters) that local signaling may involve 1–100 calcium ions. Is it appropriate to model the dynamics of subspace calcium using deterministic ODEs or, alternatively, do we require stochastic descriptions that account for the fundamentally discrete nature of these local calcium signals? To address this question, we constructed a minimal Markov model of a calcium-regulated calcium channel and associated subspace. We compared the expected value of fluctuating subspace calcium concentration (a result that accounts for the small subspace volume) with the corresponding deterministic model (an approximation that assumes large system size). When subspace calcium did not regulate calcium influx, the deterministic and stochastic descriptions agreed. However, when calcium binding altered channel activity in the model, the continuous deterministic description often deviated significantly from the discrete stochastic model, unless the subspace volume is unrealistically large and/or the kinetics of the calcium binding are sufficiently fast. This principle was also demonstrated using a physiologically realistic model of calmodulin regulation of L-type calcium channels introduced by Yue and coworkers. PMID:23509597

Optimal mode transformations for linear-optical cluster-state generation

DOE PAGES

Uskov, Dmitry B.; Lougovski, Pavel; Alsing, Paul M.; ...

2015-06-15

In this paper, we analyze the generation of linear-optical cluster states (LOCSs) via sequential addition of one and two qubits. Existing approaches employ the stochastic linear-optical two-qubit controlled-Z (CZ) gate with success rate of 1/9 per operation. The question of optimality of the CZ gate with respect to LOCS generation has remained open. We report that there are alternative schemes to the CZ gate that are exponentially more efficient and show that sequential LOCS growth is indeed globally optimal. We find that the optimal cluster growth operation is a state transformation on a subspace of the full Hilbert space. Finally,more » we show that the maximal success rate of postselected entangling n photonic qubits or m Bell pairs into a cluster is (1/2) n-1 and (1/4) m-1, respectively, with no ancilla photons, and we give an explicit optical description of the optimal mode transformations.« less

A Newton-Krylov solver for fast spin-up of online ocean tracers

NASA Astrophysics Data System (ADS)

Lindsay, Keith

2017-01-01

We present a Newton-Krylov based solver to efficiently spin up tracers in an online ocean model. We demonstrate that the solver converges, that tracer simulations initialized with the solution from the solver have small drift, and that the solver takes orders of magnitude less computational time than the brute force spin-up approach. To demonstrate the application of the solver, we use it to efficiently spin up the tracer ideal age with respect to the circulation from different time intervals in a long physics run. We then evaluate how the spun-up ideal age tracer depends on the duration of the physics run, i.e., on how equilibrated the circulation is.

Real-time optimal guidance for orbital maneuvering.

NASA Technical Reports Server (NTRS)

Cohen, A. O.; Brown, K. R.

1973-01-01

A new formulation for soft-constraint trajectory optimization is presented as a real-time optimal feedback guidance method for multiburn orbital maneuvers. Control is always chosen to minimize burn time plus a quadratic penalty for end condition errors, weighted so that early in the mission (when controllability is greatest) terminal errors are held negligible. Eventually, as controllability diminishes, the method partially relaxes but effectively still compensates perturbations in whatever subspace remains controllable. Although the soft-constraint concept is well-known in optimal control, the present formulation is novel in addressing the loss of controllability inherent in multiple burn orbital maneuvers. Moreover the necessary conditions usually obtained from a Bolza formulation are modified in this case so that the fully hard constraint formulation is a numerically well behaved subcase. As a result convergence properties have been greatly improved.

Evaluating the utility of mid-infrared spectral subspaces for predicting soil properties.

PubMed

Sila, Andrew M; Shepherd, Keith D; Pokhariyal, Ganesh P

2016-04-15

We propose four methods for finding local subspaces in large spectral libraries. The proposed four methods include (a) cosine angle spectral matching; (b) hit quality index spectral matching; (c) self-organizing maps and (d) archetypal analysis methods. Then evaluate prediction accuracies for global and subspaces calibration models. These methods were tested on a mid-infrared spectral library containing 1907 soil samples collected from 19 different countries under the Africa Soil Information Service project. Calibration models for pH, Mehlich-3 Ca, Mehlich-3 Al, total carbon and clay soil properties were developed for the whole library and for the subspace. Root mean square error of prediction was used to evaluate predictive performance of subspace and global models. The root mean square error of prediction was computed using a one-third-holdout validation set. Effect of pretreating spectra with different methods was tested for 1st and 2nd derivative Savitzky-Golay algorithm, multiplicative scatter correction, standard normal variate and standard normal variate followed by detrending methods. In summary, the results show that global models outperformed the subspace models. We, therefore, conclude that global models are more accurate than the local models except in few cases. For instance, sand and clay root mean square error values from local models from archetypal analysis method were 50% poorer than the global models except for subspace models obtained using multiplicative scatter corrected spectra with which were 12% better. However, the subspace approach provides novel methods for discovering data pattern that may exist in large spectral libraries.

Subspace in Linear Algebra: Investigating Students' Concept Images and Interactions with the Formal Definition

ERIC Educational Resources Information Center

Wawro, Megan; Sweeney, George F.; Rabin, Jeffrey M.

2011-01-01

This paper reports on a study investigating students' ways of conceptualizing key ideas in linear algebra, with the particular results presented here focusing on student interactions with the notion of subspace. In interviews conducted with eight undergraduates, we found students' initial descriptions of subspace often varied substantially from…

Active Subspaces for Wind Plant Surrogate Modeling

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

King, Ryan N; Quick, Julian; Dykes, Katherine L

Understanding the uncertainty in wind plant performance is crucial to their cost-effective design and operation. However, conventional approaches to uncertainty quantification (UQ), such as Monte Carlo techniques or surrogate modeling, are often computationally intractable for utility-scale wind plants because of poor congergence rates or the curse of dimensionality. In this paper we demonstrate that wind plant power uncertainty can be well represented with a low-dimensional active subspace, thereby achieving a significant reduction in the dimension of the surrogate modeling problem. We apply the active sub-spaces technique to UQ of plant power output with respect to uncertainty in turbine axial inductionmore » factors, and find a single active subspace direction dominates the sensitivity in power output. When this single active subspace direction is used to construct a quadratic surrogate model, the number of model unknowns can be reduced by up to 3 orders of magnitude without compromising performance on unseen test data. We conclude that the dimension reduction achieved with active subspaces makes surrogate-based UQ approaches tractable for utility-scale wind plants.« less

Interpretation of the MEG-MUSIC scan in biomagnetic source localization

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

Mosher, J.C.; Lewis, P.S.; Leahy, R.M.

1993-09-01

MEG-Music is a new approach to MEG source localization. MEG-Music is based on a spatio-temporal source model in which the observed biomagnetic fields are generated by a small number of current dipole sources with fixed positions/orientations and varying strengths. From the spatial covariance matrix of the observed fields, a signal subspace can be identified. The rank of this subspace is equal to the number of elemental sources present. This signal sub-space is used in a projection metric that scans the three dimensional head volume. Given a perfect signal subspace estimate and a perfect forward model, the metric will peak atmore » unity at each dipole location. In practice, the signal subspace estimate is contaminated by noise, which in turn yields MUSIC peaks which are less than unity. Previously we examined the lower bounds on localization error, independent of the choice of localization procedure. In this paper, we analyzed the effects of noise and temporal coherence on the signal subspace estimate and the resulting effects on the MEG-MUSIC peaks.« less

Formulating face verification with semidefinite programming.

PubMed

Yan, Shuicheng; Liu, Jianzhuang; Tang, Xiaoou; Huang, Thomas S

2007-11-01

This paper presents a unified solution to three unsolved problems existing in face verification with subspace learning techniques: selection of verification threshold, automatic determination of subspace dimension, and deducing feature fusing weights. In contrast to previous algorithms which search for the projection matrix directly, our new algorithm investigates a similarity metric matrix (SMM). With a certain verification threshold, this matrix is learned by a semidefinite programming approach, along with the constraints of the kindred pairs with similarity larger than the threshold, and inhomogeneous pairs with similarity smaller than the threshold. Then, the subspace dimension and the feature fusing weights are simultaneously inferred from the singular value decomposition of the derived SMM. In addition, the weighted and tensor extensions are proposed to further improve the algorithmic effectiveness and efficiency, respectively. Essentially, the verification is conducted within an affine subspace in this new algorithm and is, hence, called the affine subspace for verification (ASV). Extensive experiments show that the ASV can achieve encouraging face verification accuracy in comparison to other subspace algorithms, even without the need to explore any parameters.

Local Subspace Classifier with Transform-Invariance for Image Classification

NASA Astrophysics Data System (ADS)

Hotta, Seiji

A family of linear subspace classifiers called local subspace classifier (LSC) outperforms the k-nearest neighbor rule (kNN) and conventional subspace classifiers in handwritten digit classification. However, LSC suffers very high sensitivity to image transformations because it uses projection and the Euclidean distances for classification. In this paper, I present a combination of a local subspace classifier (LSC) and a tangent distance (TD) for improving accuracy of handwritten digit recognition. In this classification rule, we can deal with transform-invariance easily because we are able to use tangent vectors for approximation of transformations. However, we cannot use tangent vectors in other type of images such as color images. Hence, kernel LSC (KLSC) is proposed for incorporating transform-invariance into LSC via kernel mapping. The performance of the proposed methods is verified with the experiments on handwritten digit and color image classification.

Angular Multigrid Preconditioner for Krylov-Based Solution Techniques Applied to the Sn Equations with Highly Forward-Peaked Scattering

NASA Astrophysics Data System (ADS)

Turcksin, Bruno; Ragusa, Jean C.; Morel, Jim E.

2012-01-01

It is well known that the diffusion synthetic acceleration (DSA) methods for the Sn equations become ineffective in the Fokker-Planck forward-peaked scattering limit. In response to this deficiency, Morel and Manteuffel (1991) developed an angular multigrid method for the 1-D Sn equations. This method is very effective, costing roughly twice as much as DSA per source iteration, and yielding a maximum spectral radius of approximately 0.6 in the Fokker-Planck limit. Pautz, Adams, and Morel (PAM) (1999) later generalized the angular multigrid to 2-D, but it was found that the method was unstable with sufficiently forward-peaked mappings between the angular grids. The method was stabilized via a filtering technique based on diffusion operators, but this filtering also degraded the effectiveness of the overall scheme. The spectral radius was not bounded away from unity in the Fokker-Planck limit, although the method remained more effective than DSA. The purpose of this article is to recast the multidimensional PAM angular multigrid method without the filtering as an Sn preconditioner and use it in conjunction with the Generalized Minimal RESidual (GMRES) Krylov method. The approach ensures stability and our computational results demonstrate that it is also significantly more efficient than an analogous DSA-preconditioned Krylov method.

Application of high-order numerical schemes and Newton-Krylov method to two-phase drift-flux model

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

Zou, Ling; Zhao, Haihua; Zhang, Hongbin

This study concerns the application and solver robustness of the Newton-Krylov method in solving two-phase flow drift-flux model problems using high-order numerical schemes. In our previous studies, the Newton-Krylov method has been proven as a promising solver for two-phase flow drift-flux model problems. However, these studies were limited to use first-order numerical schemes only. Moreover, the previous approach to treating the drift-flux closure correlations was later revealed to cause deteriorated solver convergence performance, when the mesh was highly refined, and also when higher-order numerical schemes were employed. In this study, a second-order spatial discretization scheme that has been tested withmore » two-fluid two-phase flow model was extended to solve drift-flux model problems. In order to improve solver robustness, and therefore efficiency, a new approach was proposed to treating the mean drift velocity of the gas phase as a primary nonlinear variable to the equation system. With this new approach, significant improvement in solver robustness was achieved. With highly refined mesh, the proposed treatment along with the Newton-Krylov solver were extensively tested with two-phase flow problems that cover a wide range of thermal-hydraulics conditions. Satisfactory convergence performances were observed for all test cases. Numerical verification was then performed in the form of mesh convergence studies, from which expected orders of accuracy were obtained for both the first-order and the second-order spatial discretization schemes. Finally, the drift-flux model, along with numerical methods presented, were validated with three sets of flow boiling experiments that cover different flow channel geometries (round tube, rectangular tube, and rod bundle), and a wide range of test conditions (pressure, mass flux, wall heat flux, inlet subcooling and outlet void fraction).« less

Application of high-order numerical schemes and Newton-Krylov method to two-phase drift-flux model

DOE PAGES

Zou, Ling; Zhao, Haihua; Zhang, Hongbin

2017-08-07

This study concerns the application and solver robustness of the Newton-Krylov method in solving two-phase flow drift-flux model problems using high-order numerical schemes. In our previous studies, the Newton-Krylov method has been proven as a promising solver for two-phase flow drift-flux model problems. However, these studies were limited to use first-order numerical schemes only. Moreover, the previous approach to treating the drift-flux closure correlations was later revealed to cause deteriorated solver convergence performance, when the mesh was highly refined, and also when higher-order numerical schemes were employed. In this study, a second-order spatial discretization scheme that has been tested withmore » two-fluid two-phase flow model was extended to solve drift-flux model problems. In order to improve solver robustness, and therefore efficiency, a new approach was proposed to treating the mean drift velocity of the gas phase as a primary nonlinear variable to the equation system. With this new approach, significant improvement in solver robustness was achieved. With highly refined mesh, the proposed treatment along with the Newton-Krylov solver were extensively tested with two-phase flow problems that cover a wide range of thermal-hydraulics conditions. Satisfactory convergence performances were observed for all test cases. Numerical verification was then performed in the form of mesh convergence studies, from which expected orders of accuracy were obtained for both the first-order and the second-order spatial discretization schemes. Finally, the drift-flux model, along with numerical methods presented, were validated with three sets of flow boiling experiments that cover different flow channel geometries (round tube, rectangular tube, and rod bundle), and a wide range of test conditions (pressure, mass flux, wall heat flux, inlet subcooling and outlet void fraction).« less

Geometric mean for subspace selection.

PubMed

Tao, Dacheng; Li, Xuelong; Wu, Xindong; Maybank, Stephen J

2009-02-01

Subspace selection approaches are powerful tools in pattern classification and data visualization. One of the most important subspace approaches is the linear dimensionality reduction step in the Fisher's linear discriminant analysis (FLDA), which has been successfully employed in many fields such as biometrics, bioinformatics, and multimedia information management. However, the linear dimensionality reduction step in FLDA has a critical drawback: for a classification task with c classes, if the dimension of the projected subspace is strictly lower than c - 1, the projection to a subspace tends to merge those classes, which are close together in the original feature space. If separate classes are sampled from Gaussian distributions, all with identical covariance matrices, then the linear dimensionality reduction step in FLDA maximizes the mean value of the Kullback-Leibler (KL) divergences between different classes. Based on this viewpoint, the geometric mean for subspace selection is studied in this paper. Three criteria are analyzed: 1) maximization of the geometric mean of the KL divergences, 2) maximization of the geometric mean of the normalized KL divergences, and 3) the combination of 1 and 2. Preliminary experimental results based on synthetic data, UCI Machine Learning Repository, and handwriting digits show that the third criterion is a potential discriminative subspace selection method, which significantly reduces the class separation problem in comparing with the linear dimensionality reduction step in FLDA and its several representative extensions.

A Model Comparison for Characterizing Protein Motions from Structure

NASA Astrophysics Data System (ADS)

David, Charles; Jacobs, Donald

2011-10-01

A comparative study is made using three computational models that characterize native state dynamics starting from known protein structures taken from four distinct SCOP classifications. A geometrical simulation is performed, and the results are compared to the elastic network model and molecular dynamics. The essential dynamics is quantified by a direct analysis of a mode subspace constructed from ANM and a principal component analysis on both the FRODA and MD trajectories using root mean square inner product and principal angles. Relative subspace sizes and overlaps are visualized using the projection of displacement vectors on the model modes. Additionally, a mode subspace is constructed from PCA on an exemplar set of X-ray crystal structures in order to determine similarly with respect to the generated ensembles. Quantitative analysis reveals there is significant overlap across the three model subspaces and the model independent subspace. These results indicate that structure is the key determinant for native state dynamics.

Zeno subspace in quantum-walk dynamics

NASA Astrophysics Data System (ADS)

Chandrashekar, C. M.

2010-11-01

We investigate discrete-time quantum-walk evolution under the influence of periodic measurements in position subspace. The undisturbed survival probability of the particle at the position subspace P(0,t) is compared with the survival probability after frequent (n) measurements at interval τ=t/n, P(0,τ)n. We show that P(0,τ)n>P(0,t) leads to the quantum Zeno effect in position subspace when a parameter θ in the quantum coin operations and frequency of measurements is greater than the critical value, θ>θc and n>nc. This Zeno effect in the subspace preserves the dynamics in coin Hilbert space of the walk dynamics and has the potential to play a significant role in quantum tasks such as preserving the quantum state of the particle at any particular position, and to understand the Zeno dynamics in a multidimensional system that is highly transient in nature.

EEG and MEG source localization using recursively applied (RAP) MUSIC

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

Mosher, J.C.; Leahy, R.M.

1996-12-31

The multiple signal characterization (MUSIC) algorithm locates multiple asynchronous dipolar sources from electroencephalography (EEG) and magnetoencephalography (MEG) data. A signal subspace is estimated from the data, then the algorithm scans a single dipole model through a three-dimensional head volume and computes projections onto this subspace. To locate the sources, the user must search the head volume for local peaks in the projection metric. Here we describe a novel extension of this approach which we refer to as RAP (Recursively APplied) MUSIC. This new procedure automatically extracts the locations of the sources through a recursive use of subspace projections, which usesmore » the metric of principal correlations as a multidimensional form of correlation analysis between the model subspace and the data subspace. The dipolar orientations, a form of `diverse polarization,` are easily extracted using the associated principal vectors.« less

Multigrid solvers and multigrid preconditioners for the solution of variational data assimilation problems

NASA Astrophysics Data System (ADS)

Debreu, Laurent; Neveu, Emilie; Simon, Ehouarn; Le Dimet, Francois Xavier; Vidard, Arthur

2014-05-01

In order to lower the computational cost of the variational data assimilation process, we investigate the use of multigrid methods to solve the associated optimal control system. On a linear advection equation, we study the impact of the regularization term on the optimal control and the impact of discretization errors on the efficiency of the coarse grid correction step. We show that even if the optimal control problem leads to the solution of an elliptic system, numerical errors introduced by the discretization can alter the success of the multigrid methods. The view of the multigrid iteration as a preconditioner for a Krylov optimization method leads to a more robust algorithm. A scale dependent weighting of the multigrid preconditioner and the usual background error covariance matrix based preconditioner is proposed and brings significant improvements. [1] Laurent Debreu, Emilie Neveu, Ehouarn Simon, François-Xavier Le Dimet and Arthur Vidard, 2014: Multigrid solvers and multigrid preconditioners for the solution of variational data assimilation problems, submitted to QJRMS, http://hal.inria.fr/hal-00874643 [2] Emilie Neveu, Laurent Debreu and François-Xavier Le Dimet, 2011: Multigrid methods and data assimilation - Convergence study and first experiments on non-linear equations, ARIMA, 14, 63-80, http://intranet.inria.fr/international/arima/014/014005.html

Scaling Optimization of the SIESTA MHD Code

NASA Astrophysics Data System (ADS)

Seal, Sudip; Hirshman, Steven; Perumalla, Kalyan

2013-10-01

SIESTA is a parallel three-dimensional plasma equilibrium code capable of resolving magnetic islands at high spatial resolutions for toroidal plasmas. Originally designed to exploit small-scale parallelism, SIESTA has now been scaled to execute efficiently over several thousands of processors P. This scaling improvement was accomplished with minimal intrusion to the execution flow of the original version. First, the efficiency of the iterative solutions was improved by integrating the parallel tridiagonal block solver code BCYCLIC. Krylov-space generation in GMRES was then accelerated using a customized parallel matrix-vector multiplication algorithm. Novel parallel Hessian generation algorithms were integrated and memory access latencies were dramatically reduced through loop nest optimizations and data layout rearrangement. These optimizations sped up equilibria calculations by factors of 30-50. It is possible to compute solutions with granularity N/P near unity on extremely fine radial meshes (N > 1024 points). Grid separation in SIESTA, which manifests itself primarily in the resonant components of the pressure far from rational surfaces, is strongly suppressed by finer meshes. Large problem sizes of up to 300 K simultaneous non-linear coupled equations have been solved on the NERSC supercomputers. Work supported by U.S. DOE under Contract DE-AC05-00OR22725 with UT-Battelle, LLC.

The Krylov accelerated SIMPLE(R) method for flow problems in industrial furnaces

NASA Astrophysics Data System (ADS)

Vuik, C.; Saghir, A.; Boerstoel, G. P.

2000-08-01

Numerical modeling of the melting and combustion process is an important tool in gaining understanding of the physical and chemical phenomena that occur in a gas- or oil-fired glass-melting furnace. The incompressible Navier-Stokes equations are used to model the gas flow in the furnace. The discrete Navier-Stokes equations are solved by the SIMPLE(R) pressure-correction method. In these applications, many SIMPLE(R) iterations are necessary to obtain an accurate solution. In this paper, Krylov accelerated versions are proposed: GCR-SIMPLE(R). The properties of these methods are investigated for a simple two-dimensional flow. Thereafter, the efficiencies of the methods are compared for three-dimensional flows in industrial glass-melting furnaces. Copyright

Mining subspace clusters from DNA microarray data using large itemset techniques.

PubMed

Chang, Ye-In; Chen, Jiun-Rung; Tsai, Yueh-Chi

2009-05-01

Mining subspace clusters from the DNA microarrays could help researchers identify those genes which commonly contribute to a disease, where a subspace cluster indicates a subset of genes whose expression levels are similar under a subset of conditions. Since in a DNA microarray, the number of genes is far larger than the number of conditions, those previous proposed algorithms which compute the maximum dimension sets (MDSs) for any two genes will take a long time to mine subspace clusters. In this article, we propose the Large Itemset-Based Clustering (LISC) algorithm for mining subspace clusters. Instead of constructing MDSs for any two genes, we construct only MDSs for any two conditions. Then, we transform the task of finding the maximal possible gene sets into the problem of mining large itemsets from the condition-pair MDSs. Since we are only interested in those subspace clusters with gene sets as large as possible, it is desirable to pay attention to those gene sets which have reasonable large support values in the condition-pair MDSs. From our simulation results, we show that the proposed algorithm needs shorter processing time than those previous proposed algorithms which need to construct gene-pair MDSs.

Adiabatic evolution of decoherence-free subspaces and its shortcuts

NASA Astrophysics Data System (ADS)

Wu, S. L.; Huang, X. L.; Li, H.; Yi, X. X.

2017-10-01

The adiabatic theorem and shortcuts to adiabaticity for time-dependent open quantum systems are explored in this paper. Starting from the definition of dynamical stable decoherence-free subspace, we show that, under a compact adiabatic condition, the quantum state remains in the time-dependent decoherence-free subspace with an extremely high purity, even though the dynamics of the open quantum system may not be adiabatic. The adiabatic condition mentioned here in the adiabatic theorem for open systems is very similar to that for closed quantum systems, except that the operators required to change slowly are the Lindblad operators. We also show that the adiabatic evolution of decoherence-free subspaces depends on the existence of instantaneous decoherence-free subspaces, which requires that the Hamiltonian of open quantum systems be engineered according to the incoherent control protocol. In addition, shortcuts to adiabaticity for adiabatic decoherence-free subspaces are also presented based on the transitionless quantum driving method. Finally, we provide an example that consists of a two-level system coupled to a broadband squeezed vacuum field to show our theory. Our approach employs Markovian master equations and the theory can apply to finite-dimensional quantum open systems.

Data-Driven Sampling Matrix Boolean Optimization for Energy-Efficient Biomedical Signal Acquisition by Compressive Sensing.

PubMed

Wang, Yuhao; Li, Xin; Xu, Kai; Ren, Fengbo; Yu, Hao

2017-04-01

Compressive sensing is widely used in biomedical applications, and the sampling matrix plays a critical role on both quality and power consumption of signal acquisition. It projects a high-dimensional vector of data into a low-dimensional subspace by matrix-vector multiplication. An optimal sampling matrix can ensure accurate data reconstruction and/or high compression ratio. Most existing optimization methods can only produce real-valued embedding matrices that result in large energy consumption during data acquisition. In this paper, we propose an efficient method that finds an optimal Boolean sampling matrix in order to reduce the energy consumption. Compared to random Boolean embedding, our data-driven Boolean sampling matrix can improve the image recovery quality by 9 dB. Moreover, in terms of sampling hardware complexity, it reduces the energy consumption by 4.6× and the silicon area by 1.9× over the data-driven real-valued embedding.

Optimally combining dynamical decoupling and quantum error correction.

PubMed

Paz-Silva, Gerardo A; Lidar, D A

2013-01-01

Quantum control and fault-tolerant quantum computing (FTQC) are two of the cornerstones on which the hope of realizing a large-scale quantum computer is pinned, yet only preliminary steps have been taken towards formalizing the interplay between them. Here we explore this interplay using the powerful strategy of dynamical decoupling (DD), and show how it can be seamlessly and optimally integrated with FTQC. To this end we show how to find the optimal decoupling generator set (DGS) for various subspaces relevant to FTQC, and how to simultaneously decouple them. We focus on stabilizer codes, which represent the largest contribution to the size of the DGS, showing that the intuitive choice comprising the stabilizers and logical operators of the code is in fact optimal, i.e., minimizes a natural cost function associated with the length of DD sequences. Our work brings hybrid DD-FTQC schemes, and their potentially considerable advantages, closer to realization.

Optimally combining dynamical decoupling and quantum error correction

PubMed Central

Paz-Silva, Gerardo A.; Lidar, D. A.

2013-01-01

Quantum control and fault-tolerant quantum computing (FTQC) are two of the cornerstones on which the hope of realizing a large-scale quantum computer is pinned, yet only preliminary steps have been taken towards formalizing the interplay between them. Here we explore this interplay using the powerful strategy of dynamical decoupling (DD), and show how it can be seamlessly and optimally integrated with FTQC. To this end we show how to find the optimal decoupling generator set (DGS) for various subspaces relevant to FTQC, and how to simultaneously decouple them. We focus on stabilizer codes, which represent the largest contribution to the size of the DGS, showing that the intuitive choice comprising the stabilizers and logical operators of the code is in fact optimal, i.e., minimizes a natural cost function associated with the length of DD sequences. Our work brings hybrid DD-FTQC schemes, and their potentially considerable advantages, closer to realization. PMID:23559088

Tensor Train Neighborhood Preserving Embedding

NASA Astrophysics Data System (ADS)

Wang, Wenqi; Aggarwal, Vaneet; Aeron, Shuchin

2018-05-01

In this paper, we propose a Tensor Train Neighborhood Preserving Embedding (TTNPE) to embed multi-dimensional tensor data into low dimensional tensor subspace. Novel approaches to solve the optimization problem in TTNPE are proposed. For this embedding, we evaluate novel trade-off gain among classification, computation, and dimensionality reduction (storage) for supervised learning. It is shown that compared to the state-of-the-arts tensor embedding methods, TTNPE achieves superior trade-off in classification, computation, and dimensionality reduction in MNIST handwritten digits and Weizmann face datasets.

An efficient linear-scaling CCSD(T) method based on local natural orbitals.

PubMed

Rolik, Zoltán; Szegedy, Lóránt; Ladjánszki, István; Ladóczki, Bence; Kállay, Mihály

2013-09-07

An improved version of our general-order local coupled-cluster (CC) approach [Z. Rolik and M. Kállay, J. Chem. Phys. 135, 104111 (2011)] and its efficient implementation at the CC singles and doubles with perturbative triples [CCSD(T)] level is presented. The method combines the cluster-in-molecule approach of Li and co-workers [J. Chem. Phys. 131, 114109 (2009)] with frozen natural orbital (NO) techniques. To break down the unfavorable fifth-power scaling of our original approach a two-level domain construction algorithm has been developed. First, an extended domain of localized molecular orbitals (LMOs) is assembled based on the spatial distance of the orbitals. The necessary integrals are evaluated and transformed in these domains invoking the density fitting approximation. In the second step, for each occupied LMO of the extended domain a local subspace of occupied and virtual orbitals is constructed including approximate second-order Mo̸ller-Plesset NOs. The CC equations are solved and the perturbative corrections are calculated in the local subspace for each occupied LMO using a highly-efficient CCSD(T) code, which was optimized for the typical sizes of the local subspaces. The total correlation energy is evaluated as the sum of the individual contributions. The computation time of our approach scales linearly with the system size, while its memory and disk space requirements are independent thereof. Test calculations demonstrate that currently our method is one of the most efficient local CCSD(T) approaches and can be routinely applied to molecules of up to 100 atoms with reasonable basis sets.

Bayesian estimation of Karhunen–Loève expansions; A random subspace approach

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

Chowdhary, Kenny; Najm, Habib N.

One of the most widely-used statistical procedures for dimensionality reduction of high dimensional random fields is Principal Component Analysis (PCA), which is based on the Karhunen-Lo eve expansion (KLE) of a stochastic process with finite variance. The KLE is analogous to a Fourier series expansion for a random process, where the goal is to find an orthogonal transformation for the data such that the projection of the data onto this orthogonal subspace is optimal in the L 2 sense, i.e, which minimizes the mean square error. In practice, this orthogonal transformation is determined by performing an SVD (Singular Value Decomposition)more » on the sample covariance matrix or on the data matrix itself. Sampling error is typically ignored when quantifying the principal components, or, equivalently, basis functions of the KLE. Furthermore, it is exacerbated when the sample size is much smaller than the dimension of the random field. In this paper, we introduce a Bayesian KLE procedure, allowing one to obtain a probabilistic model on the principal components, which can account for inaccuracies due to limited sample size. The probabilistic model is built via Bayesian inference, from which the posterior becomes the matrix Bingham density over the space of orthonormal matrices. We use a modified Gibbs sampling procedure to sample on this space and then build a probabilistic Karhunen-Lo eve expansions over random subspaces to obtain a set of low-dimensional surrogates of the stochastic process. We illustrate this probabilistic procedure with a finite dimensional stochastic process inspired by Brownian motion.« less

Human Guidance Behavior Decomposition and Modeling

NASA Astrophysics Data System (ADS)

Feit, Andrew James

Trained humans are capable of high performance, adaptable, and robust first-person dynamic motion guidance behavior. This behavior is exhibited in a wide variety of activities such as driving, piloting aircraft, skiing, biking, and many others. Human performance in such activities far exceeds the current capability of autonomous systems in terms of adaptability to new tasks, real-time motion planning, robustness, and trading safety for performance. The present work investigates the structure of human dynamic motion guidance that enables these performance qualities. This work uses a first-person experimental framework that presents a driving task to the subject, measuring control inputs, vehicle motion, and operator visual gaze movement. The resulting data is decomposed into subspace segment clusters that form primitive elements of action-perception interactive behavior. Subspace clusters are defined by both agent-environment system dynamic constraints and operator control strategies. A key contribution of this work is to define transitions between subspace cluster segments, or subgoals, as points where the set of active constraints, either system or operator defined, changes. This definition provides necessary conditions to determine transition points for a given task-environment scenario that allow a solution trajectory to be planned from known behavior elements. In addition, human gaze behavior during this task contains predictive behavior elements, indicating that the identified control modes are internally modeled. Based on these ideas, a generative, autonomous guidance framework is introduced that efficiently generates optimal dynamic motion behavior in new tasks. The new subgoal planning algorithm is shown to generate solutions to certain tasks more quickly than existing approaches currently used in robotics.

Bayesian estimation of Karhunen–Loève expansions; A random subspace approach

DOE PAGES

Chowdhary, Kenny; Najm, Habib N.

2016-04-13

One of the most widely-used statistical procedures for dimensionality reduction of high dimensional random fields is Principal Component Analysis (PCA), which is based on the Karhunen-Lo eve expansion (KLE) of a stochastic process with finite variance. The KLE is analogous to a Fourier series expansion for a random process, where the goal is to find an orthogonal transformation for the data such that the projection of the data onto this orthogonal subspace is optimal in the L 2 sense, i.e, which minimizes the mean square error. In practice, this orthogonal transformation is determined by performing an SVD (Singular Value Decomposition)more » on the sample covariance matrix or on the data matrix itself. Sampling error is typically ignored when quantifying the principal components, or, equivalently, basis functions of the KLE. Furthermore, it is exacerbated when the sample size is much smaller than the dimension of the random field. In this paper, we introduce a Bayesian KLE procedure, allowing one to obtain a probabilistic model on the principal components, which can account for inaccuracies due to limited sample size. The probabilistic model is built via Bayesian inference, from which the posterior becomes the matrix Bingham density over the space of orthonormal matrices. We use a modified Gibbs sampling procedure to sample on this space and then build a probabilistic Karhunen-Lo eve expansions over random subspaces to obtain a set of low-dimensional surrogates of the stochastic process. We illustrate this probabilistic procedure with a finite dimensional stochastic process inspired by Brownian motion.« less

A Dimensionally Reduced Clustering Methodology for Heterogeneous Occupational Medicine Data Mining.

PubMed

Saâdaoui, Foued; Bertrand, Pierre R; Boudet, Gil; Rouffiac, Karine; Dutheil, Frédéric; Chamoux, Alain

2015-10-01

Clustering is a set of techniques of the statistical learning aimed at finding structures of heterogeneous partitions grouping homogenous data called clusters. There are several fields in which clustering was successfully applied, such as medicine, biology, finance, economics, etc. In this paper, we introduce the notion of clustering in multifactorial data analysis problems. A case study is conducted for an occupational medicine problem with the purpose of analyzing patterns in a population of 813 individuals. To reduce the data set dimensionality, we base our approach on the Principal Component Analysis (PCA), which is the statistical tool most commonly used in factorial analysis. However, the problems in nature, especially in medicine, are often based on heterogeneous-type qualitative-quantitative measurements, whereas PCA only processes quantitative ones. Besides, qualitative data are originally unobservable quantitative responses that are usually binary-coded. Hence, we propose a new set of strategies allowing to simultaneously handle quantitative and qualitative data. The principle of this approach is to perform a projection of the qualitative variables on the subspaces spanned by quantitative ones. Subsequently, an optimal model is allocated to the resulting PCA-regressed subspaces.

Intelligent Control of a Sensor-Actuator System via Kernelized Least-Squares Policy Iteration

PubMed Central

Liu, Bo; Chen, Sanfeng; Li, Shuai; Liang, Yongsheng

2012-01-01

In this paper a new framework, called Compressive Kernelized Reinforcement Learning (CKRL), for computing near-optimal policies in sequential decision making with uncertainty is proposed via incorporating the non-adaptive data-independent Random Projections and nonparametric Kernelized Least-squares Policy Iteration (KLSPI). Random Projections are a fast, non-adaptive dimensionality reduction framework in which high-dimensionality data is projected onto a random lower-dimension subspace via spherically random rotation and coordination sampling. KLSPI introduce kernel trick into the LSPI framework for Reinforcement Learning, often achieving faster convergence and providing automatic feature selection via various kernel sparsification approaches. In this approach, policies are computed in a low-dimensional subspace generated by projecting the high-dimensional features onto a set of random basis. We first show how Random Projections constitute an efficient sparsification technique and how our method often converges faster than regular LSPI, while at lower computational costs. Theoretical foundation underlying this approach is a fast approximation of Singular Value Decomposition (SVD). Finally, simulation results are exhibited on benchmark MDP domains, which confirm gains both in computation time and in performance in large feature spaces. PMID:22736969

A new method to real-normalize measured complex modes

NASA Technical Reports Server (NTRS)

Wei, Max L.; Allemang, Randall J.; Zhang, Qiang; Brown, David L.

1987-01-01

A time domain subspace iteration technique is presented to compute a set of normal modes from the measured complex modes. By using the proposed method, a large number of physical coordinates are reduced to a smaller number of model or principal coordinates. Subspace free decay time responses are computed using properly scaled complex modal vectors. Companion matrix for the general case of nonproportional damping is then derived in the selected vector subspace. Subspace normal modes are obtained through eigenvalue solution of the (M sub N) sup -1 (K sub N) matrix and transformed back to the physical coordinates to get a set of normal modes. A numerical example is presented to demonstrate the outlined theory.

Numerical implementation, verification and validation of two-phase flow four-equation drift flux model with Jacobian-free Newton–Krylov method

DOE PAGES

Zou, Ling; Zhao, Haihua; Zhang, Hongbin

2016-08-24

This study presents a numerical investigation on using the Jacobian-free Newton–Krylov (JFNK) method to solve the two-phase flow four-equation drift flux model with realistic constitutive correlations (‘closure models’). The drift flux model is based on Isshi and his collaborators’ work. Additional constitutive correlations for vertical channel flow, such as two-phase flow pressure drop, flow regime map, wall boiling and interfacial heat transfer models, were taken from the RELAP5-3D Code Manual and included to complete the model. The staggered grid finite volume method and fully implicit backward Euler method was used for the spatial discretization and time integration schemes, respectively. Themore » Jacobian-free Newton–Krylov method shows no difficulty in solving the two-phase flow drift flux model with a discrete flow regime map. In addition to the Jacobian-free approach, the preconditioning matrix is obtained by using the default finite differencing method provided in the PETSc package, and consequently the labor-intensive implementation of complex analytical Jacobian matrix is avoided. Extensive and successful numerical verification and validation have been performed to prove the correct implementation of the models and methods. Code-to-code comparison with RELAP5-3D has further demonstrated the successful implementation of the drift flux model.« less

Manifold learning-based subspace distance for machinery damage assessment

NASA Astrophysics Data System (ADS)

Sun, Chuang; Zhang, Zhousuo; He, Zhengjia; Shen, Zhongjie; Chen, Binqiang

2016-03-01

Damage assessment is very meaningful to keep safety and reliability of machinery components, and vibration analysis is an effective way to carry out the damage assessment. In this paper, a damage index is designed by performing manifold distance analysis on vibration signal. To calculate the index, vibration signal is collected firstly, and feature extraction is carried out to obtain statistical features that can capture signal characteristics comprehensively. Then, manifold learning algorithm is utilized to decompose feature matrix to be a subspace, that is, manifold subspace. The manifold learning algorithm seeks to keep local relationship of the feature matrix, which is more meaningful for damage assessment. Finally, Grassmann distance between manifold subspaces is defined as a damage index. The Grassmann distance reflecting manifold structure is a suitable metric to measure distance between subspaces in the manifold. The defined damage index is applied to damage assessment of a rotor and the bearing, and the result validates its effectiveness for damage assessment of machinery component.

Visual exploration of high-dimensional data through subspace analysis and dynamic projections

DOE PAGES

Liu, S.; Wang, B.; Thiagarajan, J. J.; ...

2015-06-01

Here, we introduce a novel interactive framework for visualizing and exploring high-dimensional datasets based on subspace analysis and dynamic projections. We assume the high-dimensional dataset can be represented by a mixture of low-dimensional linear subspaces with mixed dimensions, and provide a method to reliably estimate the intrinsic dimension and linear basis of each subspace extracted from the subspace clustering. Subsequently, we use these bases to define unique 2D linear projections as viewpoints from which to visualize the data. To understand the relationships among the different projections and to discover hidden patterns, we connect these projections through dynamic projections that createmore » smooth animated transitions between pairs of projections. We introduce the view transition graph, which provides flexible navigation among these projections to facilitate an intuitive exploration. Finally, we provide detailed comparisons with related systems, and use real-world examples to demonstrate the novelty and usability of our proposed framework.« less

Visual Exploration of High-Dimensional Data through Subspace Analysis and Dynamic Projections

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

Liu, S.; Wang, B.; Thiagarajan, Jayaraman J.

2015-06-01

We introduce a novel interactive framework for visualizing and exploring high-dimensional datasets based on subspace analysis and dynamic projections. We assume the high-dimensional dataset can be represented by a mixture of low-dimensional linear subspaces with mixed dimensions, and provide a method to reliably estimate the intrinsic dimension and linear basis of each subspace extracted from the subspace clustering. Subsequently, we use these bases to define unique 2D linear projections as viewpoints from which to visualize the data. To understand the relationships among the different projections and to discover hidden patterns, we connect these projections through dynamic projections that create smoothmore » animated transitions between pairs of projections. We introduce the view transition graph, which provides flexible navigation among these projections to facilitate an intuitive exploration. Finally, we provide detailed comparisons with related systems, and use real-world examples to demonstrate the novelty and usability of our proposed framework.« less

Physical subspace in a model of the quantized electromagnetic field coupled to an external field with an indefinite metric

NASA Astrophysics Data System (ADS)

Suzuki, Akito

2008-04-01

We study a model of the quantized electromagnetic field interacting with an external static source ρ in the Feynman (Lorentz) gauge and construct the quantized radiation field Aμ (μ=0,1,2,3) as an operator-valued distribution acting on the Fock space F with an indefinite metric. By using the Gupta subsidiary condition ∂μAμ(x)(+)Ψ=0, one can select the physical subspace Vphys. According to the Gupta-Bleuler formalism, Vphys is a non-negative subspace so that elements of Vphys, called physical states, can be probabilistically interpretable. Indeed, assuming that the external source ρ is infrared regular, i.e., ρ̂/∣k∣3/2ɛL2(R3), we can characterize the physical subspace Vphys and show that Vphys is non-negative. In addition, we find that the Hamiltonian of the model is reduced to the Hamiltonian of the transverse photons with the Coulomb interaction. We, however, prove that the physical subspace is trivial, i.e., Vphys={0}, if and only if the external source ρ is infrared singular, i.e., ρ̂/∣k∣3/2∉L2(R3). We also discuss a representation different from the above representation such that the physical subspace is not trivial under the infrared singular condition.

Subarray Processing for Projection-based RFI Mitigation in Radio Astronomical Interferometers

NASA Astrophysics Data System (ADS)

Burnett, Mitchell C.; Jeffs, Brian D.; Black, Richard A.; Warnick, Karl F.

2018-04-01

Radio Frequency Interference (RFI) is a major problem for observations in Radio Astronomy (RA). Adaptive spatial filtering techniques such as subspace projection are promising candidates for RFI mitigation; however, for radio interferometric imaging arrays, these have primarily been used in engineering demonstration experiments rather than mainstream scientific observations. This paper considers one reason that adoption of such algorithms is limited: RFI decorrelates across the interferometric array because of long baseline lengths. This occurs when the relative RFI time delay along a baseline is large compared to the frequency channel inverse bandwidth used in the processing chain. Maximum achievable excision of the RFI is limited by covariance matrix estimation error when identifying interference subspace parameters, and decorrelation of the RFI introduces errors that corrupt the subspace estimate, rendering subspace projection ineffective over the entire array. In this work, we present an algorithm that overcomes this challenge of decorrelation by applying subspace projection via subarray processing (SP-SAP). Each subarray is designed to have a set of elements with high mutual correlation in the interferer for better estimation of subspace parameters. In an RFI simulation scenario for the proposed ngVLA interferometric imaging array with 15 kHz channel bandwidth for correlator processing, we show that compared to the former approach of applying subspace projection on the full array, SP-SAP improves mitigation of the RFI on the order of 9 dB. An example of improved image synthesis and reduced RFI artifacts for a simulated image “phantom” using the SP-SAP algorithm is presented.

Multilevel algorithms for nonlinear optimization

NASA Technical Reports Server (NTRS)

Alexandrov, Natalia; Dennis, J. E., Jr.

1994-01-01

Multidisciplinary design optimization (MDO) gives rise to nonlinear optimization problems characterized by a large number of constraints that naturally occur in blocks. We propose a class of multilevel optimization methods motivated by the structure and number of constraints and by the expense of the derivative computations for MDO. The algorithms are an extension to the nonlinear programming problem of the successful class of local Brown-Brent algorithms for nonlinear equations. Our extensions allow the user to partition constraints into arbitrary blocks to fit the application, and they separately process each block and the objective function, restricted to certain subspaces. The methods use trust regions as a globalization strategy, and they have been shown to be globally convergent under reasonable assumptions. The multilevel algorithms can be applied to all classes of MDO formulations. Multilevel algorithms for solving nonlinear systems of equations are a special case of the multilevel optimization methods. In this case, they can be viewed as a trust-region globalization of the Brown-Brent class.

Use of the Collaborative Optimization Architecture for Launch Vehicle Design

NASA Technical Reports Server (NTRS)

Braun, R. D.; Moore, A. A.; Kroo, I. M.

1996-01-01

Collaborative optimization is a new design architecture specifically created for large-scale distributed-analysis applications. In this approach, problem is decomposed into a user-defined number of subspace optimization problems that are driven towards interdisciplinary compatibility and the appropriate solution by a system-level coordination process. This decentralized design strategy allows domain-specific issues to be accommodated by disciplinary analysts, while requiring interdisciplinary decisions to be reached by consensus. The present investigation focuses on application of the collaborative optimization architecture to the multidisciplinary design of a single-stage-to-orbit launch vehicle. Vehicle design, trajectory, and cost issues are directly modeled. Posed to suit the collaborative architecture, the design problem is characterized by 5 design variables and 16 constraints. Numerous collaborative solutions are obtained. Comparison of these solutions demonstrates the influence which an priori ascent-abort criterion has on development cost. Similarly, objective-function selection is discussed, demonstrating the difference between minimum weight and minimum cost concepts. The operational advantages of the collaborative optimization

Nonlinear Krylov and moving nodes in the method of lines

NASA Astrophysics Data System (ADS)

Miller, Keith

2005-11-01

We report on some successes and problem areas in the Method of Lines from our work with moving node finite element methods. First, we report on our "nonlinear Krylov accelerator" for the modified Newton's method on the nonlinear equations of our stiff ODE solver. Since 1990 it has been robust, simple, cheap, and automatic on all our moving node computations. We publicize further trials with it here because it should be of great general usefulness to all those solving evolutionary equations. Second, we discuss the need for reliable automatic choice of spatially variable time steps. Third, we discuss the need for robust and efficient iterative solvers for the difficult linearized equations (Jx=b) of our stiff ODE solver. Here, the 1997 thesis of Zulu Xaba has made significant progress.

Bi Sparsity Pursuit: A Paradigm for Robust Subspace Recovery

DTIC Science & Technology

2016-09-27

16. SECURITY CLASSIFICATION OF: The success of sparse models in computer vision and machine learning is due to the fact that, high dimensional data...Office P.O. Box 12211 Research Triangle Park, NC 27709-2211 Signal recovery, Sparse learning , Subspace modeling REPORT DOCUMENTATION PAGE 11...vision and machine learning is due to the fact that, high dimensional data is distributed in a union of low dimensional subspaces in many real-world

Robust parallel iterative solvers for linear and least-squares problems, Final Technical Report

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

Saad, Yousef

2014-01-16

The primary goal of this project is to study and develop robust iterative methods for solving linear systems of equations and least squares systems. The focus of the Minnesota team is on algorithms development, robustness issues, and on tests and validation of the methods on realistic problems. 1. The project begun with an investigation on how to practically update a preconditioner obtained from an ILU-type factorization, when the coefficient matrix changes. 2. We investigated strategies to improve robustness in parallel preconditioners in a specific case of a PDE with discontinuous coefficients. 3. We explored ways to adapt standard preconditioners formore » solving linear systems arising from the Helmholtz equation. These are often difficult linear systems to solve by iterative methods. 4. We have also worked on purely theoretical issues related to the analysis of Krylov subspace methods for linear systems. 5. We developed an effective strategy for performing ILU factorizations for the case when the matrix is highly indefinite. The strategy uses shifting in some optimal way. The method was extended to the solution of Helmholtz equations by using complex shifts, yielding very good results in many cases. 6. We addressed the difficult problem of preconditioning sparse systems of equations on GPUs. 7. A by-product of the above work is a software package consisting of an iterative solver library for GPUs based on CUDA. This was made publicly available. It was the first such library that offers complete iterative solvers for GPUs. 8. We considered another form of ILU which blends coarsening techniques from Multigrid with algebraic multilevel methods. 9. We have released a new version on our parallel solver - called pARMS [new version is version 3]. As part of this we have tested the code in complex settings - including the solution of Maxwell and Helmholtz equations and for a problem of crystal growth.10. As an application of polynomial preconditioning we considered the problem of evaluating f(A)v which arises in statistical sampling. 11. As an application to the methods we developed, we tackled the problem of computing the diagonal of the inverse of a matrix. This arises in statistical applications as well as in many applications in physics. We explored probing methods as well as domain-decomposition type methods. 12. A collaboration with researchers from Toulouse, France, considered the important problem of computing the Schur complement in a domain-decomposition approach. 13. We explored new ways of preconditioning linear systems, based on low-rank approximations.« less

Subspace Methods for Massive and Messy Data

DTIC Science & Technology

2017-07-12

Subspace Methods for Massive and Messy Data The views, opinions and/or findings contained in this report are those of the author(s) and should not...AGENCY NAME(S) AND ADDRESS (ES) U.S. Army Research Office P.O. Box 12211 Research Triangle Park, NC 27709-2211 REPORT DOCUMENTATION PAGE 11. SPONSOR...Number: W911NF-14-1-0634 Organization: University of Michigan - Ann Arbor Title: Subspace Methods for Massive and Messy Data Report Term: 0-Other

Geometry aware Stationary Subspace Analysis

DTIC Science & Technology

2016-11-22

approach to handling non-stationarity is to remove or minimize it before attempting to analyze the data. In the context of brain computer interface ( BCI ...context of brain computer interface ( BCI ) data analysis, two such note-worthy methods are stationary subspace analysis (SSA) (von Bünau et al., 2009a... BCI systems, is sCSP. Its goal is to project the data onto a subspace in which the various data classes are more separable. The sCSP method directs

Locally indistinguishable subspaces spanned by three-qubit unextendible product bases

NASA Astrophysics Data System (ADS)

Duan, Runyao; Xin, Yu; Ying, Mingsheng

2010-03-01

We study the local distinguishability of general multiqubit states and show that local projective measurements and classical communication are as powerful as the most general local measurements and classical communication. Remarkably, this indicates that the local distinguishability of multiqubit states can be decided efficiently. Another useful consequence is that a set of orthogonal n-qubit states is locally distinguishable only if the summation of their orthogonal Schmidt numbers is less than the total dimension 2n. Employing these results, we show that any orthonormal basis of a subspace spanned by arbitrary three-qubit orthogonal unextendible product bases (UPB) cannot be exactly distinguishable by local operations and classical communication. This not only reveals another intrinsic property of three-qubit orthogonal UPB but also provides a class of locally indistinguishable subspaces with dimension 4. We also explicitly construct locally indistinguishable subspaces with dimensions 3 and 5, respectively. Similar to the bipartite case, these results on multipartite locally indistinguishable subspaces can be used to estimate the one-shot environment-assisted classical capacity of a class of quantum broadcast channels.

Sparse subspace clustering for data with missing entries and high-rank matrix completion.

PubMed

Fan, Jicong; Chow, Tommy W S

2017-09-01

Many methods have recently been proposed for subspace clustering, but they are often unable to handle incomplete data because of missing entries. Using matrix completion methods to recover missing entries is a common way to solve the problem. Conventional matrix completion methods require that the matrix should be of low-rank intrinsically, but most matrices are of high-rank or even full-rank in practice, especially when the number of subspaces is large. In this paper, a new method called Sparse Representation with Missing Entries and Matrix Completion is proposed to solve the problems of incomplete-data subspace clustering and high-rank matrix completion. The proposed algorithm alternately computes the matrix of sparse representation coefficients and recovers the missing entries of a data matrix. The proposed algorithm recovers missing entries through minimizing the representation coefficients, representation errors, and matrix rank. Thorough experimental study and comparative analysis based on synthetic data and natural images were conducted. The presented results demonstrate that the proposed algorithm is more effective in subspace clustering and matrix completion compared with other existing methods. Copyright © 2017 Elsevier Ltd. All rights reserved.

Mixed integer simulation optimization for optimal hydraulic fracturing and production of shale gas fields

NASA Astrophysics Data System (ADS)

Li, J. C.; Gong, B.; Wang, H. G.

2016-08-01

Optimal development of shale gas fields involves designing a most productive fracturing network for hydraulic stimulation processes and operating wells appropriately throughout the production time. A hydraulic fracturing network design-determining well placement, number of fracturing stages, and fracture lengths-is defined by specifying a set of integer ordered blocks to drill wells and create fractures in a discrete shale gas reservoir model. The well control variables such as bottom hole pressures or production rates for well operations are real valued. Shale gas development problems, therefore, can be mathematically formulated with mixed-integer optimization models. A shale gas reservoir simulator is used to evaluate the production performance for a hydraulic fracturing and well control plan. To find the optimal fracturing design and well operation is challenging because the problem is a mixed integer optimization problem and entails computationally expensive reservoir simulation. A dynamic simplex interpolation-based alternate subspace (DSIAS) search method is applied for mixed integer optimization problems associated with shale gas development projects. The optimization performance is demonstrated with the example case of the development of the Barnett Shale field. The optimization results of DSIAS are compared with those of a pattern search algorithm.

Observation of entanglement witnesses for orbital angular momentum states

NASA Astrophysics Data System (ADS)

Agnew, M.; Leach, J.; Boyd, R. W.

2012-06-01

Entanglement witnesses provide an efficient means of determining the level of entanglement of a system using the minimum number of measurements. Here we demonstrate the observation of two-dimensional entanglement witnesses in the high-dimensional basis of orbital angular momentum (OAM). In this case, the number of potentially entangled subspaces scales as d(d - 1)/2, where d is the dimension of the space. The choice of OAM as a basis is relevant as each subspace is not necessarily maximally entangled, thus providing the necessary state for certain tests of nonlocality. The expectation value of the witness gives an estimate of the state of each two-dimensional subspace belonging to the d-dimensional Hilbert space. These measurements demonstrate the degree of entanglement and therefore the suitability of the resulting subspaces for quantum information applications.

Breaking Computational Barriers: Real-time Analysis and Optimization with Large-scale Nonlinear Models via Model Reduction

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

Carlberg, Kevin Thomas; Drohmann, Martin; Tuminaro, Raymond S.

2014-10-01

Model reduction for dynamical systems is a promising approach for reducing the computational cost of large-scale physics-based simulations to enable high-fidelity models to be used in many- query (e.g., Bayesian inference) and near-real-time (e.g., fast-turnaround simulation) contexts. While model reduction works well for specialized problems such as linear time-invariant systems, it is much more difficult to obtain accurate, stable, and efficient reduced-order models (ROMs) for systems with general nonlinearities. This report describes several advances that enable nonlinear reduced-order models (ROMs) to be deployed in a variety of time-critical settings. First, we present an error bound for the Gauss-Newton with Approximatedmore » Tensors (GNAT) nonlinear model reduction technique. This bound allows the state-space error for the GNAT method to be quantified when applied with the backward Euler time-integration scheme. Second, we present a methodology for preserving classical Lagrangian structure in nonlinear model reduction. This technique guarantees that important properties--such as energy conservation and symplectic time-evolution maps--are preserved when performing model reduction for models described by a Lagrangian formalism (e.g., molecular dynamics, structural dynamics). Third, we present a novel technique for decreasing the temporal complexity --defined as the number of Newton-like iterations performed over the course of the simulation--by exploiting time-domain data. Fourth, we describe a novel method for refining projection-based reduced-order models a posteriori using a goal-oriented framework similar to mesh-adaptive h -refinement in finite elements. The technique allows the ROM to generate arbitrarily accurate solutions, thereby providing the ROM with a 'failsafe' mechanism in the event of insufficient training data. Finally, we present the reduced-order model error surrogate (ROMES) method for statistically quantifying reduced- order-model errors. This enables ROMs to be rigorously incorporated in uncertainty-quantification settings, as the error model can be treated as a source of epistemic uncertainty. This work was completed as part of a Truman Fellowship appointment. We note that much additional work was performed as part of the Fellowship. One salient project is the development of the Trilinos-based model-reduction software module Razor , which is currently bundled with the Albany PDE code and currently allows nonlinear reduced-order models to be constructed for any application supported in Albany. Other important projects include the following: 1. ROMES-equipped ROMs for Bayesian inference: K. Carlberg, M. Drohmann, F. Lu (Lawrence Berkeley National Laboratory), M. Morzfeld (Lawrence Berkeley National Laboratory). 2. ROM-enabled Krylov-subspace recycling: K. Carlberg, V. Forstall (University of Maryland), P. Tsuji, R. Tuminaro. 3. A pseudo balanced POD method using only dual snapshots: K. Carlberg, M. Sarovar. 4. An analysis of discrete v. continuous optimality in nonlinear model reduction: K. Carlberg, M. Barone, H. Antil (George Mason University). Journal articles for these projects are in progress at the time of this writing.« less

Systematic Constraint Selection Strategy for Rate-Controlled Constrained-Equilibrium Modeling of Complex Nonequilibrium Chemical Kinetics

NASA Astrophysics Data System (ADS)

Beretta, Gian Paolo; Rivadossi, Luca; Janbozorgi, Mohammad

2018-04-01

Rate-Controlled Constrained-Equilibrium (RCCE) modeling of complex chemical kinetics provides acceptable accuracies with much fewer differential equations than for the fully Detailed Kinetic Model (DKM). Since its introduction by James C. Keck, a drawback of the RCCE scheme has been the absence of an automatable, systematic procedure to identify the constraints that most effectively warrant a desired level of approximation for a given range of initial, boundary, and thermodynamic conditions. An optimal constraint identification has been recently proposed. Given a DKM with S species, E elements, and R reactions, the procedure starts by running a probe DKM simulation to compute an S-vector that we call overall degree of disequilibrium (ODoD) because its scalar product with the S-vector formed by the stoichiometric coefficients of any reaction yields its degree of disequilibrium (DoD). The ODoD vector evolves in the same (S-E)-dimensional stoichiometric subspace spanned by the R stoichiometric S-vectors. Next we construct the rank-(S-E) matrix of ODoD traces obtained from the probe DKM numerical simulation and compute its singular value decomposition (SVD). By retaining only the first C largest singular values of the SVD and setting to zero all the others we obtain the best rank-C approximation of the matrix of ODoD traces whereby its columns span a C-dimensional subspace of the stoichiometric subspace. This in turn yields the best approximation of the evolution of the ODoD vector in terms of only C parameters that we call the constraint potentials. The resulting order-C RCCE approximate model reduces the number of independent differential equations related to species, mass, and energy balances from S+2 to C+E+2, with substantial computational savings when C ≪ S-E.

Entanglement dynamics of coupled qubits and a semi-decoherence free subspace

NASA Astrophysics Data System (ADS)

Campagnano, Gabriele; Hamma, Alioscia; Weiss, Ulrich

2010-01-01

We study the entanglement dynamics and relaxation properties of a system of two interacting qubits in the cases of (I) two independent bosonic baths and (II) one common bath. We find that in the case (II) the existence of a decoherence-free subspace (DFS) makes entanglement dynamics very rich. We show that when the system is initially in a state with a component in the DFS the relaxation time is surprisingly long, showing the existence of semi-decoherence free subspaces.

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

Sciarrino, Fabio; De Martini, Francesco

In several quantum information (QI) phenomena of large technological importance the information is carried by the phase of the quantum superposition states, or qubits. The phase-covariant cloning machine (PQCM) addresses precisely the problem of optimally copying these qubits with the largest attainable 'fidelity'. We present a general scheme which realizes the 1{yields}3 phase covariant cloning process by a combination of three different QI processes: the universal cloning, the NOT gate, and the projection over the symmetric subspace of the output qubits. The experimental implementation of a PQCM for polarization encoded qubits, the first ever realized with photons, is reported.

Geometric subspace methods and time-delay embedding for EEG artifact removal and classification.

PubMed

Anderson, Charles W; Knight, James N; O'Connor, Tim; Kirby, Michael J; Sokolov, Artem

2006-06-01

Generalized singular-value decomposition is used to separate multichannel electroencephalogram (EEG) into components found by optimizing a signal-to-noise quotient. These components are used to filter out artifacts. Short-time principal components analysis of time-delay embedded EEG is used to represent windowed EEG data to classify EEG according to which mental task is being performed. Examples are presented of the filtering of various artifacts and results are shown of classification of EEG from five mental tasks using committees of decision trees.

The Wang Landau parallel algorithm for the simple grids. Optimizing OpenMPI parallel implementation

NASA Astrophysics Data System (ADS)

Kussainov, A. S.

2017-12-01

The Wang Landau Monte Carlo algorithm to calculate density of states for the different simple spin lattices was implemented. The energy space was split between the individual threads and balanced according to the expected runtime for the individual processes. Custom spin clustering mechanism, necessary for overcoming of the critical slowdown in the certain energy subspaces, was devised. Stable reconstruction of the density of states was of primary importance. Some data post-processing techniques were involved to produce the expected smooth density of states.

Gesellschaft fuer angewandte Mathematik und Mechanik, Annual Scientific Meeting, Technische Universitaet Berlin, Berlin, West Germany, April 8-11, 1980, Reports. Parts 1 & 2

NASA Astrophysics Data System (ADS)

1981-04-01

The main topics discussed were related to nonparametric statistics, plane and antiplane states in finite elasticity, free-boundary-variational inequalities, the numerical solution of free boundary-value problems, discrete and combinatorial optimization, mathematical modelling in fluid mechanics, a survey and comparison regarding thermodynamic theories, invariant and almost invariant subspaces in linear systems with applications to disturbance isolation, nonlinear acoustics, and methods of function theory in the case of partial differential equations, giving particular attention to elliptic problems in the plane.

Local structure of equality constrained NLP problems

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

Mari, J.

We show that locally around a feasible point, the behavior of an equality constrained nonlinear program is described by the gradient and the Hessian of the Lagrangian on the tangent subspace. In particular this holds true for reduced gradient approaches. Applying the same ideas to the control of nonlinear ODE:s, one can device first and second order methods that can be applied also to stiff problems. We finally describe an application of these ideas to the optimization of the production of human growth factor by fed-batch fermentation.

Quasi-Optimal Elimination Trees for 2D Grids with Singularities

DOE PAGES

Paszyńska, A.; Paszyński, M.; Jopek, K.; ...

2015-01-01

We consmore » truct quasi-optimal elimination trees for 2D finite element meshes with singularities. These trees minimize the complexity of the solution of the discrete system. The computational cost estimates of the elimination process model the execution of the multifrontal algorithms in serial and in parallel shared-memory executions. Since the meshes considered are a subspace of all possible mesh partitions, we call these minimizers quasi-optimal. We minimize the cost functionals using dynamic programming. Finding these minimizers is more computationally expensive than solving the original algebraic system. Nevertheless, from the insights provided by the analysis of the dynamic programming minima, we propose a heuristic construction of the elimination trees that has cost O N e log ⁡ N e , where N e is the number of elements in the mesh. We show that this heuristic ordering has similar computational cost to the quasi-optimal elimination trees found with dynamic programming and outperforms state-of-the-art alternatives in our numerical experiments.« less

Quasi-Optimal Elimination Trees for 2D Grids with Singularities

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

Paszyńska, A.; Paszyński, M.; Jopek, K.

We consmore » truct quasi-optimal elimination trees for 2D finite element meshes with singularities. These trees minimize the complexity of the solution of the discrete system. The computational cost estimates of the elimination process model the execution of the multifrontal algorithms in serial and in parallel shared-memory executions. Since the meshes considered are a subspace of all possible mesh partitions, we call these minimizers quasi-optimal. We minimize the cost functionals using dynamic programming. Finding these minimizers is more computationally expensive than solving the original algebraic system. Nevertheless, from the insights provided by the analysis of the dynamic programming minima, we propose a heuristic construction of the elimination trees that has cost O N e log ⁡ N e , where N e is the number of elements in the mesh. We show that this heuristic ordering has similar computational cost to the quasi-optimal elimination trees found with dynamic programming and outperforms state-of-the-art alternatives in our numerical experiments.« less

Efficient numerical calculation of MHD equilibria with magnetic islands, with particular application to saturated neoclassical tearing modes

NASA Astrophysics Data System (ADS)

Raburn, Daniel Louis

We have developed a preconditioned, globalized Jacobian-free Newton-Krylov (JFNK) solver for calculating equilibria with magnetic islands. The solver has been developed in conjunction with the Princeton Iterative Equilibrium Solver (PIES) and includes two notable enhancements over a traditional JFNK scheme: (1) globalization of the algorithm by a sophisticated backtracking scheme, which optimizes between the Newton and steepest-descent directions; and, (2) adaptive preconditioning, wherein information regarding the system Jacobian is reused between Newton iterations to form a preconditioner for our GMRES-like linear solver. We have developed a formulation for calculating saturated neoclassical tearing modes (NTMs) which accounts for the incomplete loss of a bootstrap current due to gradients of multiple physical quantities. We have applied the coupled PIES-JFNK solver to calculate saturated island widths on several shots from the Tokamak Fusion Test Reactor (TFTR) and have found reasonable agreement with experimental measurement.

Tensor Rank Preserving Discriminant Analysis for Facial Recognition.

PubMed

Tao, Dapeng; Guo, Yanan; Li, Yaotang; Gao, Xinbo

2017-10-12

Facial recognition, one of the basic topics in computer vision and pattern recognition, has received substantial attention in recent years. However, for those traditional facial recognition algorithms, the facial images are reshaped to a long vector, thereby losing part of the original spatial constraints of each pixel. In this paper, a new tensor-based feature extraction algorithm termed tensor rank preserving discriminant analysis (TRPDA) for facial image recognition is proposed; the proposed method involves two stages: in the first stage, the low-dimensional tensor subspace of the original input tensor samples was obtained; in the second stage, discriminative locality alignment was utilized to obtain the ultimate vector feature representation for subsequent facial recognition. On the one hand, the proposed TRPDA algorithm fully utilizes the natural structure of the input samples, and it applies an optimization criterion that can directly handle the tensor spectral analysis problem, thereby decreasing the computation cost compared those traditional tensor-based feature selection algorithms. On the other hand, the proposed TRPDA algorithm extracts feature by finding a tensor subspace that preserves most of the rank order information of the intra-class input samples. Experiments on the three facial databases are performed here to determine the effectiveness of the proposed TRPDA algorithm.

Estimation of Supersonic Stage Separation Aerodynamics of Winged-Body Launch Vehicles Using Response Surface Methods

NASA Technical Reports Server (NTRS)

Erickson, Gary E.

2010-01-01

Response surface methodology was used to estimate the longitudinal stage separation aerodynamic characteristics of a generic, bimese, winged multi-stage launch vehicle configuration at supersonic speeds in the NASA LaRC Unitary Plan Wind Tunnel. The Mach 3 staging was dominated by shock wave interactions between the orbiter and booster vehicles throughout the relative spatial locations of interest. The inference space was partitioned into several contiguous regions within which the separation aerodynamics were presumed to be well-behaved and estimable using central composite designs capable of fitting full second-order response functions. The underlying aerodynamic response surfaces of the booster vehicle in belly-to-belly proximity to the orbiter vehicle were estimated using piecewise-continuous lower-order polynomial functions. The quality of fit and prediction capabilities of the empirical models were assessed in detail, and the issue of subspace boundary discontinuities was addressed. Augmenting the central composite designs to full third-order using computer-generated D-optimality criteria was evaluated. The usefulness of central composite designs, the subspace sizing, and the practicality of fitting lower-order response functions over a partitioned inference space dominated by highly nonlinear and possibly discontinuous shock-induced aerodynamics are discussed.

Quantum Trajectories and Their Statistics for Remotely Entangled Quantum Bits

NASA Astrophysics Data System (ADS)

Chantasri, Areeya; Kimchi-Schwartz, Mollie E.; Roch, Nicolas; Siddiqi, Irfan; Jordan, Andrew N.

2016-10-01

We experimentally and theoretically investigate the quantum trajectories of jointly monitored transmon qubits embedded in spatially separated microwave cavities. Using nearly quantum-noise-limited superconducting amplifiers and an optimized setup to reduce signal loss between cavities, we can efficiently track measurement-induced entanglement generation as a continuous process for single realizations of the experiment. The quantum trajectories of transmon qubits naturally split into low and high entanglement classes. The distribution of concurrence is found at any given time, and we explore the dynamics of entanglement creation in the state space. The distribution exhibits a sharp cutoff in the high concurrence limit, defining a maximal concurrence boundary. The most-likely paths of the qubits' trajectories are also investigated, resulting in three probable paths, gradually projecting the system to two even subspaces and an odd subspace, conforming to a "half-parity" measurement. We also investigate the most-likely time for the individual trajectories to reach their most entangled state, and we find that there are two solutions for the local maximum, corresponding to the low and high entanglement routes. The theoretical predictions show excellent agreement with the experimental entangled-qubit trajectory data.

Multiclassifier information fusion methods for microarray pattern recognition

NASA Astrophysics Data System (ADS)

Braun, Jerome J.; Glina, Yan; Judson, Nicholas; Herzig-Marx, Rachel

2004-04-01

This paper addresses automatic recognition of microarray patterns, a capability that could have a major significance for medical diagnostics, enabling development of diagnostic tools for automatic discrimination of specific diseases. The paper presents multiclassifier information fusion methods for microarray pattern recognition. The input space partitioning approach based on fitness measures that constitute an a-priori gauging of classification efficacy for each subspace is investigated. Methods for generation of fitness measures, generation of input subspaces and their use in the multiclassifier fusion architecture are presented. In particular, two-level quantification of fitness that accounts for the quality of each subspace as well as the quality of individual neighborhoods within the subspace is described. Individual-subspace classifiers are Support Vector Machine based. The decision fusion stage fuses the information from mulitple SVMs along with the multi-level fitness information. Final decision fusion stage techniques, including weighted fusion as well as Dempster-Shafer theory based fusion are investigated. It should be noted that while the above methods are discussed in the context of microarray pattern recognition, they are applicable to a broader range of discrimination problems, in particular to problems involving a large number of information sources irreducible to a low-dimensional feature space.

Generation of skeletal mechanism by means of projected entropy participation indices

NASA Astrophysics Data System (ADS)

Paolucci, Samuel; Valorani, Mauro; Ciottoli, Pietro Paolo; Galassi, Riccardo Malpica

2017-11-01

When the dynamics of reactive systems develop very-slow and very-fast time scales separated by a range of active time scales, with gaps in the fast/active and slow/active time scales, then it is possible to achieve multi-scale adaptive model reduction along-with the integration of the ODEs using the G-Scheme. The scheme assumes that the dynamics is decomposed into active, slow, fast, and invariant subspaces. We derive expressions that establish a direct link between time scales and entropy production by using estimates provided by the G-Scheme. To calculate the contribution to entropy production, we resort to a standard model of a constant pressure, adiabatic, batch reactor, where the mixture temperature of the reactants is initially set above the auto-ignition temperature. Numerical experiments show that the contribution to entropy production of the fast subspace is of the same magnitude as the error threshold chosen for the identification of the decomposition of the tangent space, and the contribution of the slow subspace is generally much smaller than that of the active subspace. The information on entropy production associated with reactions within each subspace is used to define an entropy participation index that is subsequently utilized for model reduction.

Data-Driven Modeling of Complex Systems by means of a Dynamical ANN

NASA Astrophysics Data System (ADS)

Seleznev, A.; Mukhin, D.; Gavrilov, A.; Loskutov, E.; Feigin, A.

2017-12-01

The data-driven methods for modeling and prognosis of complex dynamical systems become more and more popular in various fields due to growth of high-resolution data. We distinguish the two basic steps in such an approach: (i) determining the phase subspace of the system, or embedding, from available time series and (ii) constructing an evolution operator acting in this reduced subspace. In this work we suggest a novel approach combining these two steps by means of construction of an artificial neural network (ANN) with special topology. The proposed ANN-based model, on the one hand, projects the data onto a low-dimensional manifold, and, on the other hand, models a dynamical system on this manifold. Actually, this is a recurrent multilayer ANN which has internal dynamics and capable of generating time series. Very important point of the proposed methodology is the optimization of the model allowing us to avoid overfitting: we use Bayesian criterion to optimize the ANN structure and estimate both the degree of evolution operator nonlinearity and the complexity of nonlinear manifold which the data are projected on. The proposed modeling technique will be applied to the analysis of high-dimensional dynamical systems: Lorenz'96 model of atmospheric turbulence, producing high-dimensional space-time chaos, and quasi-geostrophic three-layer model of the Earth's atmosphere with the natural orography, describing the dynamics of synoptical vortexes as well as mesoscale blocking systems. The possibility of application of the proposed methodology to analyze real measured data is also discussed. The study was supported by the Russian Science Foundation (grant #16-12-10198).

Signatures of large-scale and local climates on the demography of white-tailed ptarmigan in Rocky Mountain National Park, Colorado, USA.

PubMed

Wang, Guiming; Hobbs, N Thompson; Galbraith, Hector; Giesen, Kenneth M

2002-09-01

Global climate change may impact wildlife populations by affecting local weather patterns, which, in turn, can impact a variety of ecological processes. However, it is not clear that local variations in ecological processes can be explained by large-scale patterns of climate. The North Atlantic oscillation (NAO) is a large-scale climate phenomenon that has been shown to influence the population dynamics of some animals. Although effects of the NAO on vertebrate population dynamics have been studied, it remains uncertain whether it broadly predicts the impact of weather on species. We examined the ability of local weather data and the NAO to explain the annual variation in population dynamics of white-tailed ptarmigan ( Lagopus leucurus) in Rocky Mountain National Park, USA. We performed canonical correlation analysis on the demographic subspace of ptarmigan and local-climate subspace defined by the empirical orthogonal function (EOF) using data from 1975 to 1999. We found that two subspaces were significantly correlated on the first canonical variable. The Pearson correlation coefficient of the first EOF values of the demographic and local-climate subspaces was significant. The population density and the first EOF of local-climate subspace influenced the ptarmigan population with 1-year lags in the Gompertz model. However, the NAO index was neither related to the first two EOF of local-climate subspace nor to the first EOF of the demographic subspace of ptarmigan. Moreover, the NAO index was not a significant term in the Gompertz model for the ptarmigan population. Therefore, local climate had stronger signature on the demography of ptarmigan than did a large-scale index, i.e., the NAO index. We conclude that local responses of wildlife populations to changing climate may not be adequately explained by models that project large-scale climatic patterns.

Online Low-Rank Representation Learning for Joint Multi-subspace Recovery and Clustering.

PubMed

Li, Bo; Liu, Risheng; Cao, Junjie; Zhang, Jie; Lai, Yu-Kun; Liua, Xiuping

2017-10-06

Benefiting from global rank constraints, the lowrank representation (LRR) method has been shown to be an effective solution to subspace learning. However, the global mechanism also means that the LRR model is not suitable for handling large-scale data or dynamic data. For large-scale data, the LRR method suffers from high time complexity, and for dynamic data, it has to recompute a complex rank minimization for the entire data set whenever new samples are dynamically added, making it prohibitively expensive. Existing attempts to online LRR either take a stochastic approach or build the representation purely based on a small sample set and treat new input as out-of-sample data. The former often requires multiple runs for good performance and thus takes longer time to run, and the latter formulates online LRR as an out-ofsample classification problem and is less robust to noise. In this paper, a novel online low-rank representation subspace learning method is proposed for both large-scale and dynamic data. The proposed algorithm is composed of two stages: static learning and dynamic updating. In the first stage, the subspace structure is learned from a small number of data samples. In the second stage, the intrinsic principal components of the entire data set are computed incrementally by utilizing the learned subspace structure, and the low-rank representation matrix can also be incrementally solved by an efficient online singular value decomposition (SVD) algorithm. The time complexity is reduced dramatically for large-scale data, and repeated computation is avoided for dynamic problems. We further perform theoretical analysis comparing the proposed online algorithm with the batch LRR method. Finally, experimental results on typical tasks of subspace recovery and subspace clustering show that the proposed algorithm performs comparably or better than batch methods including the batch LRR, and significantly outperforms state-of-the-art online methods.

Comparing, optimizing, and benchmarking quantum-control algorithms in a unifying programming framework

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

Machnes, S.; Institute for Theoretical Physics, University of Ulm, D-89069 Ulm; Sander, U.

2011-08-15

For paving the way to novel applications in quantum simulation, computation, and technology, increasingly large quantum systems have to be steered with high precision. It is a typical task amenable to numerical optimal control to turn the time course of pulses, i.e., piecewise constant control amplitudes, iteratively into an optimized shape. Here, we present a comparative study of optimal-control algorithms for a wide range of finite-dimensional applications. We focus on the most commonly used algorithms: GRAPE methods which update all controls concurrently, and Krotov-type methods which do so sequentially. Guidelines for their use are given and open research questions aremore » pointed out. Moreover, we introduce a unifying algorithmic framework, DYNAMO (dynamic optimization platform), designed to provide the quantum-technology community with a convenient matlab-based tool set for optimal control. In addition, it gives researchers in optimal-control techniques a framework for benchmarking and comparing newly proposed algorithms with the state of the art. It allows a mix-and-match approach with various types of gradients, update and step-size methods as well as subspace choices. Open-source code including examples is made available at http://qlib.info.« less

Fluid preconditioning for Newton–Krylov-based, fully implicit, electrostatic particle-in-cell simulations

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

Chen, G., E-mail: gchen@lanl.gov; Chacón, L.; Leibs, C.A.

2014-02-01

A recent proof-of-principle study proposes an energy- and charge-conserving, nonlinearly implicit electrostatic particle-in-cell (PIC) algorithm in one dimension [9]. The algorithm in the reference employs an unpreconditioned Jacobian-free Newton–Krylov method, which ensures nonlinear convergence at every timestep (resolving the dynamical timescale of interest). Kinetic enslavement, which is one key component of the algorithm, not only enables fully implicit PIC as a practical approach, but also allows preconditioning the kinetic solver with a fluid approximation. This study proposes such a preconditioner, in which the linearized moment equations are closed with moments computed from particles. Effective acceleration of the linear GMRES solvemore » is demonstrated, on both uniform and non-uniform meshes. The algorithm performance is largely insensitive to the electron–ion mass ratio. Numerical experiments are performed on a 1D multi-scale ion acoustic wave test problem.« less

[The taxonomic rank and place of Colpodellida in the system of the Protista].

PubMed

Myl'nikov, A P; Krylov, M V; Frolov, A O

2000-01-01

The analysis of ultrastructure organisation and divergent processes in Colpodellida, Perkinsida, Gregarinea and Coccidea has confirmed the presence of unique basic structures in all of these organisms and the necessity to combine them into the single phylum Sporozoa. A taxonomic rank and place of Colpodellida in the system of living organisms is represented as follows: phylum Sporozoa Leuckart, 1879; em. Krylov, Mylnikov, 1986. (Syn.: Apicomplexa Levine, 1970). Predators or parasites. Common basic structure: pellicular membranes, subpellicular microtubules, micropores, conoid, rhoptries and micronemes, tubular mitochondrial cristae. Class Perkinsea Levine, 1978. Predators or parasites, vegetative stages with two heterodynamic flagella. Subclass 1. Colpodellia nom. nov. (Syn.: Spiromonadia Krylov, Mylnikov, 1986). Predators, two heterodynamic flagella with string-like mastigonemes (if present), division is exclusively within a cyst, with 2-4 daughter cells being produced, extrusomes are trichocyst-like. Subclass 2. Perkinsia Levine, 1978. Parasites, zoospores with two heterodynamic flagella, mastigonemes (if present) bristle-like or string-like.

Detecting coupled collective motions in protein by independent subspace analysis

NASA Astrophysics Data System (ADS)

Sakuraba, Shun; Joti, Yasumasa; Kitao, Akio

2010-11-01

Protein dynamics evolves in a high-dimensional space, comprising aharmonic, strongly correlated motional modes. Such correlation often plays an important role in analyzing protein function. In order to identify significantly correlated collective motions, here we employ independent subspace analysis based on the subspace joint approximate diagonalization of eigenmatrices algorithm for the analysis of molecular dynamics (MD) simulation trajectories. From the 100 ns MD simulation of T4 lysozyme, we extract several independent subspaces in each of which collective modes are significantly correlated, and identify the other modes as independent. This method successfully detects the modes along which long-tailed non-Gaussian probability distributions are obtained. Based on the time cross-correlation analysis, we identified a series of events among domain motions and more localized motions in the protein, indicating the connection between the functionally relevant phenomena which have been independently revealed by experiments.

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

Mosher, J.C.; Leahy, R.M.

A new method for source localization is described that is based on a modification of the well known multiple signal classification (MUSIC) algorithm. In classical MUSIC, the array manifold vector is projected onto an estimate of the signal subspace, but errors in the estimate can make location of multiple sources difficult. Recursively applied and projected (RAP) MUSIC uses each successively located source to form an intermediate array gain matrix, and projects both the array manifold and the signal subspace estimate into its orthogonal complement. The MUSIC projection is then performed in this reduced subspace. Using the metric of principal angles,more » the authors describe a general form of the RAP-MUSIC algorithm for the case of diversely polarized sources. Through a uniform linear array simulation, the authors demonstrate the improved Monte Carlo performance of RAP-MUSIC relative to MUSIC and two other sequential subspace methods, S and IES-MUSIC.« less

Independence and totalness of subspaces in phase space methods

NASA Astrophysics Data System (ADS)

Vourdas, A.

2018-04-01

The concepts of independence and totalness of subspaces are introduced in the context of quasi-probability distributions in phase space, for quantum systems with finite-dimensional Hilbert space. It is shown that due to the non-distributivity of the lattice of subspaces, there are various levels of independence, from pairwise independence up to (full) independence. Pairwise totalness, totalness and other intermediate concepts are also introduced, which roughly express that the subspaces overlap strongly among themselves, and they cover the full Hilbert space. A duality between independence and totalness, that involves orthocomplementation (logical NOT operation), is discussed. Another approach to independence is also studied, using Rota's formalism on independent partitions of the Hilbert space. This is used to define informational independence, which is proved to be equivalent to independence. As an application, the pentagram (used in discussions on contextuality) is analysed using these concepts.

Interpreting the Coulomb-field approximation for generalized-Born electrostatics using boundary-integral equation theory.

PubMed

Bardhan, Jaydeep P

2008-10-14

The importance of molecular electrostatic interactions in aqueous solution has motivated extensive research into physical models and numerical methods for their estimation. The computational costs associated with simulations that include many explicit water molecules have driven the development of implicit-solvent models, with generalized-Born (GB) models among the most popular of these. In this paper, we analyze a boundary-integral equation interpretation for the Coulomb-field approximation (CFA), which plays a central role in most GB models. This interpretation offers new insights into the nature of the CFA, which traditionally has been assessed using only a single point charge in the solute. The boundary-integral interpretation of the CFA allows the use of multiple point charges, or even continuous charge distributions, leading naturally to methods that eliminate the interpolation inaccuracies associated with the Still equation. This approach, which we call boundary-integral-based electrostatic estimation by the CFA (BIBEE/CFA), is most accurate when the molecular charge distribution generates a smooth normal displacement field at the solute-solvent boundary, and CFA-based GB methods perform similarly. Conversely, both methods are least accurate for charge distributions that give rise to rapidly varying or highly localized normal displacement fields. Supporting this analysis are comparisons of the reaction-potential matrices calculated using GB methods and boundary-element-method (BEM) simulations. An approximation similar to BIBEE/CFA exhibits complementary behavior, with superior accuracy for charge distributions that generate rapidly varying normal fields and poorer accuracy for distributions that produce smooth fields. This approximation, BIBEE by preconditioning (BIBEE/P), essentially generates initial guesses for preconditioned Krylov-subspace iterative BEMs. Thus, iterative refinement of the BIBEE/P results recovers the BEM solution; excellent agreement is obtained in only a few iterations. The boundary-integral-equation framework may also provide a means to derive rigorous results explaining how the empirical correction terms in many modern GB models significantly improve accuracy despite their simple analytical forms.

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

NASA Astrophysics Data System (ADS)

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

2017-09-01

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

Stability analysis of a deterministic dose calculation for MRI-guided radiotherapy.

PubMed

Zelyak, O; Fallone, B G; St-Aubin, J

2017-12-14

Modern effort in radiotherapy to address the challenges of tumor localization and motion has led to the development of MRI guided radiotherapy technologies. Accurate dose calculations must properly account for the effects of the MRI magnetic fields. Previous work has investigated the accuracy of a deterministic linear Boltzmann transport equation (LBTE) solver that includes magnetic field, but not the stability of the iterative solution method. In this work, we perform a stability analysis of this deterministic algorithm including an investigation of the convergence rate dependencies on the magnetic field, material density, energy, and anisotropy expansion. The iterative convergence rate of the continuous and discretized LBTE including magnetic fields is determined by analyzing the spectral radius using Fourier analysis for the stationary source iteration (SI) scheme. The spectral radius is calculated when the magnetic field is included (1) as a part of the iteration source, and (2) inside the streaming-collision operator. The non-stationary Krylov subspace solver GMRES is also investigated as a potential method to accelerate the iterative convergence, and an angular parallel computing methodology is investigated as a method to enhance the efficiency of the calculation. SI is found to be unstable when the magnetic field is part of the iteration source, but unconditionally stable when the magnetic field is included in the streaming-collision operator. The discretized LBTE with magnetic fields using a space-angle upwind stabilized discontinuous finite element method (DFEM) was also found to be unconditionally stable, but the spectral radius rapidly reaches unity for very low-density media and increasing magnetic field strengths indicating arbitrarily slow convergence rates. However, GMRES is shown to significantly accelerate the DFEM convergence rate showing only a weak dependence on the magnetic field. In addition, the use of an angular parallel computing strategy is shown to potentially increase the efficiency of the dose calculation.

Stability analysis of a deterministic dose calculation for MRI-guided radiotherapy

NASA Astrophysics Data System (ADS)

Zelyak, O.; Fallone, B. G.; St-Aubin, J.

2018-01-01

Modern effort in radiotherapy to address the challenges of tumor localization and motion has led to the development of MRI guided radiotherapy technologies. Accurate dose calculations must properly account for the effects of the MRI magnetic fields. Previous work has investigated the accuracy of a deterministic linear Boltzmann transport equation (LBTE) solver that includes magnetic field, but not the stability of the iterative solution method. In this work, we perform a stability analysis of this deterministic algorithm including an investigation of the convergence rate dependencies on the magnetic field, material density, energy, and anisotropy expansion. The iterative convergence rate of the continuous and discretized LBTE including magnetic fields is determined by analyzing the spectral radius using Fourier analysis for the stationary source iteration (SI) scheme. The spectral radius is calculated when the magnetic field is included (1) as a part of the iteration source, and (2) inside the streaming-collision operator. The non-stationary Krylov subspace solver GMRES is also investigated as a potential method to accelerate the iterative convergence, and an angular parallel computing methodology is investigated as a method to enhance the efficiency of the calculation. SI is found to be unstable when the magnetic field is part of the iteration source, but unconditionally stable when the magnetic field is included in the streaming-collision operator. The discretized LBTE with magnetic fields using a space-angle upwind stabilized discontinuous finite element method (DFEM) was also found to be unconditionally stable, but the spectral radius rapidly reaches unity for very low-density media and increasing magnetic field strengths indicating arbitrarily slow convergence rates. However, GMRES is shown to significantly accelerate the DFEM convergence rate showing only a weak dependence on the magnetic field. In addition, the use of an angular parallel computing strategy is shown to potentially increase the efficiency of the dose calculation.

Corrigendum to "Stability analysis of a deterministic dose calculation for MRI-guided radiotherapy".

PubMed

Zelyak, Oleksandr; Fallone, B Gino; St-Aubin, Joel

2018-03-12

Modern effort in radiotherapy to address the challenges of tumor localization and motion has led to the development of MRI guided radiotherapy technologies. Accurate dose calculations must properly account for the effects of the MRI magnetic fields. Previous work has investigated the accuracy of a deterministic linear Boltzmann transport equation (LBTE) solver that includes magnetic field, but not the stability of the iterative solution method. In this work, we perform a stability analysis of this deterministic algorithm including an investigation of the convergence rate dependencies on the magnetic field, material density, energy, and anisotropy expansion. The iterative convergence rate of the continuous and discretized LBTE including magnetic fields is determined by analyzing the spectral radius using Fourier analysis for the stationary source iteration (SI) scheme. The spectral radius is calculated when the magnetic field is included (1) as a part of the iteration source, and (2) inside the streaming-collision operator. The non-stationary Krylov subspace solver GMRES is also investigated as a potential method to accelerate the iterative convergence, and an angular parallel computing methodology is investigated as a method to enhance the efficiency of the calculation. SI is found to be unstable when the magnetic field is part of the iteration source, but unconditionally stable when the magnetic field is included in the streaming-collision operator. The discretized LBTE with magnetic fields using a space-angle upwind stabilized discontinuous finite element method (DFEM) was also found to be unconditionally stable, but the spectral radius rapidly reaches unity for very low density media and increasing magnetic field strengths indicating arbitrarily slow convergence rates. However, GMRES is shown to significantly accelerate the DFEM convergence rate showing only a weak dependence on the magnetic field. In addition, the use of an angular parallel computing strategy is shown to potentially increase the efficiency of the dose calculation. © 2018 Institute of Physics and Engineering in Medicine.

Composite solvers for linear saddle point problems arising from the incompressible Stokes equations with highly heterogeneous viscosity structure

NASA Astrophysics Data System (ADS)

Sanan, P.; Schnepp, S. M.; May, D.; Schenk, O.

2014-12-01

Geophysical applications require efficient forward models for non-linear Stokes flow on high resolution spatio-temporal domains. The bottleneck in applying the forward model is solving the linearized, discretized Stokes problem which takes the form of a large, indefinite (saddle point) linear system. Due to the heterogeniety of the effective viscosity in the elliptic operator, devising effective preconditioners for saddle point problems has proven challenging and highly problem-dependent. Nevertheless, at least three approaches show promise for preconditioning these difficult systems in an algorithmically scalable way using multigrid and/or domain decomposition techniques. The first is to work with a hierarchy of coarser or smaller saddle point problems. The second is to use the Schur complement method to decouple and sequentially solve for the pressure and velocity. The third is to use the Schur decomposition to devise preconditioners for the full operator. These involve sub-solves resembling inexact versions of the sequential solve. The choice of approach and sub-methods depends crucially on the motivating physics, the discretization, and available computational resources. Here we examine the performance trade-offs for preconditioning strategies applied to idealized models of mantle convection and lithospheric dynamics, characterized by large viscosity gradients. Due to the arbitrary topological structure of the viscosity field in geodynamical simulations, we utilize low order, inf-sup stable mixed finite element spatial discretizations which are suitable when sharp viscosity variations occur in element interiors. Particular attention is paid to possibilities within the decoupled and approximate Schur complement factorization-based monolithic approaches to leverage recently-developed flexible, communication-avoiding, and communication-hiding Krylov subspace methods in combination with `heavy' smoothers, which require solutions of large per-node sub-problems, well-suited to solution on hybrid computational clusters. To manage the combinatorial explosion of solver options (which include hybridizations of all the approaches mentioned above), we leverage the modularity of the PETSc library.

Algebraic multigrid preconditioning within parallel finite-element solvers for 3-D electromagnetic modelling problems in geophysics

NASA Astrophysics Data System (ADS)

Koldan, Jelena; Puzyrev, Vladimir; de la Puente, Josep; Houzeaux, Guillaume; Cela, José María

2014-06-01

We present an elaborate preconditioning scheme for Krylov subspace methods which has been developed to improve the performance and reduce the execution time of parallel node-based finite-element (FE) solvers for 3-D electromagnetic (EM) numerical modelling in exploration geophysics. This new preconditioner is based on algebraic multigrid (AMG) that uses different basic relaxation methods, such as Jacobi, symmetric successive over-relaxation (SSOR) and Gauss-Seidel, as smoothers and the wave front algorithm to create groups, which are used for a coarse-level generation. We have implemented and tested this new preconditioner within our parallel nodal FE solver for 3-D forward problems in EM induction geophysics. We have performed series of experiments for several models with different conductivity structures and characteristics to test the performance of our AMG preconditioning technique when combined with biconjugate gradient stabilized method. The results have shown that, the more challenging the problem is in terms of conductivity contrasts, ratio between the sizes of grid elements and/or frequency, the more benefit is obtained by using this preconditioner. Compared to other preconditioning schemes, such as diagonal, SSOR and truncated approximate inverse, the AMG preconditioner greatly improves the convergence of the iterative solver for all tested models. Also, when it comes to cases in which other preconditioners succeed to converge to a desired precision, AMG is able to considerably reduce the total execution time of the forward-problem code-up to an order of magnitude. Furthermore, the tests have confirmed that our AMG scheme ensures grid-independent rate of convergence, as well as improvement in convergence regardless of how big local mesh refinements are. In addition, AMG is designed to be a black-box preconditioner, which makes it easy to use and combine with different iterative methods. Finally, it has proved to be very practical and efficient in the parallel context.

On the implementation of an accurate and efficient solver for convection-diffusion equations

NASA Astrophysics Data System (ADS)

Wu, Chin-Tien

In this dissertation, we examine several different aspects of computing the numerical solution of the convection-diffusion equation. The solution of this equation often exhibits sharp gradients due to Dirichlet outflow boundaries or discontinuities in boundary conditions. Because of the singular-perturbed nature of the equation, numerical solutions often have severe oscillations when grid sizes are not small enough to resolve sharp gradients. To overcome such difficulties, the streamline diffusion discretization method can be used to obtain an accurate approximate solution in regions where the solution is smooth. To increase accuracy of the solution in the regions containing layers, adaptive mesh refinement and mesh movement based on a posteriori error estimations can be employed. An error-adapted mesh refinement strategy based on a posteriori error estimations is also proposed to resolve layers. For solving the sparse linear systems that arise from discretization, goemetric multigrid (MG) and algebraic multigrid (AMG) are compared. In addition, both methods are also used as preconditioners for Krylov subspace methods. We derive some convergence results for MG with line Gauss-Seidel smoothers and bilinear interpolation. Finally, while considering adaptive mesh refinement as an integral part of the solution process, it is natural to set a stopping tolerance for the iterative linear solvers on each mesh stage so that the difference between the approximate solution obtained from iterative methods and the finite element solution is bounded by an a posteriori error bound. Here, we present two stopping criteria. The first is based on a residual-type a posteriori error estimator developed by Verfurth. The second is based on an a posteriori error estimator, using local solutions, developed by Kay and Silvester. Our numerical results show the refined mesh obtained from the iterative solution which satisfies the second criteria is similar to the refined mesh obtained from the finite element solution.

New Parallel Algorithms for Structural Analysis and Design of Aerospace Structures

NASA Technical Reports Server (NTRS)

Nguyen, Duc T.

1998-01-01

Subspace and Lanczos iterations have been developed, well documented, and widely accepted as efficient methods for obtaining p-lowest eigen-pair solutions of large-scale, practical engineering problems. The focus of this paper is to incorporate recent developments in vectorized sparse technologies in conjunction with Subspace and Lanczos iterative algorithms for computational enhancements. Numerical performance, in terms of accuracy and efficiency of the proposed sparse strategies for Subspace and Lanczos algorithm, is demonstrated by solving for the lowest frequencies and mode shapes of structural problems on the IBM-R6000/590 and SunSparc 20 workstations.

Gravitational instantons, self-duality, and geometric flows

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

Bourliot, F.; Estes, J.; Petropoulos, P. M.

2010-05-15

We discuss four-dimensional 'spatially homogeneous' gravitational instantons. These are self-dual solutions of Euclidean vacuum Einstein equations. They are endowed with a product structure RxM{sub 3} leading to a foliation into three-dimensional subspaces evolving in Euclidean time. For a large class of homogeneous subspaces, the dynamics coincides with a geometric flow on the three-dimensional slice, driven by the Ricci tensor plus an so(3) gauge connection. The flowing metric is related to the vielbein of the subspace, while the gauge field is inherited from the anti-self-dual component of the four-dimensional Levi-Civita connection.

On the Convergence of an Implicitly Restarted Arnoldi Method

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

Lehoucq, Richard B.

We show that Sorensen's [35] implicitly restarted Arnoldi method (including its block extension) is simultaneous iteration with an implicit projection step to accelerate convergence to the invariant subspace of interest. By using the geometric convergence theory for simultaneous iteration due to Watkins and Elsner [43], we prove that an implicitly restarted Arnoldi method can achieve a super-linear rate of convergence to the dominant invariant subspace of a matrix. Moreover, we show how an IRAM computes a nested sequence of approximations for the partial Schur decomposition associated with the dominant invariant subspace of a matrix.

Portfolios and the market geometry

NASA Astrophysics Data System (ADS)

Eleutério, Samuel; Araújo, Tanya; Vilela Mendes, R.

2014-09-01

A geometric analysis of return time series, performed in the past, implied that most of the systematic information in the market is contained in a space of small dimension. Here we have explored subspaces of this space to find out the relative performance of portfolios formed from companies that have the largest projections in each one of the subspaces. As expected, it was found that the best performance portfolios are associated with some of the small eigenvalue subspaces and not to the dominant dimensions. This is found to occur in a systematic fashion over an extended period (1990-2008).

Adaptive bearing estimation and tracking of multiple targets in a realistic passive sonar scenario

NASA Astrophysics Data System (ADS)

Rajagopal, R.; Challa, Subhash; Faruqi, Farhan A.; Rao, P. R.

1997-06-01

In a realistic passive sonar environment, the received signal consists of multipath arrivals from closely separated moving targets. The signals are contaminated by spatially correlated noise. The differential MUSIC has been proposed to estimate the DOAs in such a scenario. This method estimates the 'noise subspace' in order to estimate the DOAs. However, the 'noise subspace' estimate has to be updated as and when new data become available. In order to save the computational costs, a new adaptive noise subspace estimation algorithm is proposed in this paper. The salient features of the proposed algorithm are: (1) Noise subspace estimation is done by QR decomposition of the difference matrix which is formed from the data covariance matrix. Thus, as compared to standard eigen-decomposition based methods which require O(N3) computations, the proposed method requires only O(N2) computations. (2) Noise subspace is updated by updating the QR decomposition. (3) The proposed algorithm works in a realistic sonar environment. In the second part of the paper, the estimated bearing values are used to track multiple targets. In order to achieve this, the nonlinear system/linear measurement extended Kalman filtering proposed is applied. Computer simulation results are also presented to support the theory.

Integrated head package cable carrier for a nuclear power plant

DOEpatents

Meuschke, Robert E.; Trombola, Daniel M.

1995-01-01

A cabling arrangement is provided for a nuclear reactor located within a containment. Structure inside the containment is characterized by a wall having a near side surrounding the reactor vessel defining a cavity, an operating deck outside the cavity, a sub-space below the deck and on a far side of the wall spaced from the near side, and an operating area above the deck. The arrangement includes a movable frame supporting a plurality of cables extending through the frame, each connectable at a first end to a head package on the reactor vessel and each having a second end located in the sub-space. The frame is movable, with the cables, between a first position during normal operation of the reactor when the cables are connected to the head package, located outside the sub-space proximate the head package, and a second position during refueling when the cables are disconnected from the head package, located in the sub-space. In a preferred embodiment, the frame straddles the top of the wall in a substantially horizontal orientation in the first position, pivots about an end distal from the head package to a substantially vertically oriented intermediate position, and is guided, while remaining about vertically oriented, along a track in the sub-space to the second position.

Low-Rank Tensor Subspace Learning for RGB-D Action Recognition.

PubMed

Jia, Chengcheng; Fu, Yun

2016-07-09

Since RGB-D action data inherently equip with extra depth information compared with RGB data, recently many works employ RGB-D data in a third-order tensor representation containing spatio-temporal structure to find a subspace for action recognition. However, there are two main challenges of these methods. First, the dimension of subspace is usually fixed manually. Second, preserving local information by finding intraclass and inter-class neighbors from a manifold is highly timeconsuming. In this paper, we learn a tensor subspace, whose dimension is learned automatically by low-rank learning, for RGB-D action recognition. Particularly, the tensor samples are factorized to obtain three Projection Matrices (PMs) by Tucker Decomposition, where all the PMs are performed by nuclear norm in a close-form to obtain the tensor ranks which are used as tensor subspace dimension. Additionally, we extract the discriminant and local information from a manifold using a graph constraint. This graph preserves the local knowledge inherently, which is faster than the previous way by calculating both the intra-class and inter-class neighbors of each sample. We evaluate the proposed method on four widely used RGB-D action datasets including MSRDailyActivity3D, MSRActionPairs, MSRActionPairs skeleton and UTKinect-Action3D datasets, and the experimental results show higher accuracy and efficiency of the proposed method.

A LAGRANGIAN GAUSS-NEWTON-KRYLOV SOLVER FOR MASS- AND INTENSITY-PRESERVING DIFFEOMORPHIC IMAGE REGISTRATION.

PubMed

Mang, Andreas; Ruthotto, Lars

2017-01-01

We present an efficient solver for diffeomorphic image registration problems in the framework of Large Deformations Diffeomorphic Metric Mappings (LDDMM). We use an optimal control formulation, in which the velocity field of a hyperbolic PDE needs to be found such that the distance between the final state of the system (the transformed/transported template image) and the observation (the reference image) is minimized. Our solver supports both stationary and non-stationary (i.e., transient or time-dependent) velocity fields. As transformation models, we consider both the transport equation (assuming intensities are preserved during the deformation) and the continuity equation (assuming mass-preservation). We consider the reduced form of the optimal control problem and solve the resulting unconstrained optimization problem using a discretize-then-optimize approach. A key contribution is the elimination of the PDE constraint using a Lagrangian hyperbolic PDE solver. Lagrangian methods rely on the concept of characteristic curves. We approximate these curves using a fourth-order Runge-Kutta method. We also present an efficient algorithm for computing the derivatives of the final state of the system with respect to the velocity field. This allows us to use fast Gauss-Newton based methods. We present quickly converging iterative linear solvers using spectral preconditioners that render the overall optimization efficient and scalable. Our method is embedded into the image registration framework FAIR and, thus, supports the most commonly used similarity measures and regularization functionals. We demonstrate the potential of our new approach using several synthetic and real world test problems with up to 14.7 million degrees of freedom.

Global parameter optimization of a Mather-type plasma focus in the framework of the Gratton-Vargas two-dimensional snowplow model

NASA Astrophysics Data System (ADS)

Auluck, S. K. H.

2014-12-01

Dense plasma focus (DPF) is known to produce highly energetic ions, electrons and plasma environment which can be used for breeding short-lived isotopes, plasma nanotechnology and other material processing applications. Commercial utilization of DPF in such areas would need a design tool that can be deployed in an automatic search for the best possible device configuration for a given application. The recently revisited (Auluck 2013 Phys. Plasmas 20 112501) Gratton-Vargas (GV) two-dimensional analytical snowplow model of plasma focus provides a numerical formula for dynamic inductance of a Mather-type plasma focus fitted to thousands of automated computations, which enables the construction of such a design tool. This inductance formula is utilized in the present work to explore global optimization, based on first-principles optimality criteria, in a four-dimensional parameter-subspace of the zero-resistance GV model. The optimization process is shown to reproduce the empirically observed constancy of the drive parameter over eight decades in capacitor bank energy. The optimized geometry of plasma focus normalized to the anode radius is shown to be independent of voltage, while the optimized anode radius is shown to be related to capacitor bank inductance.

Intelligent Space Tube Optimization for speeding ground water remedial design.

PubMed

Kalwij, Ineke M; Peralta, Richard C

2008-01-01

An innovative Intelligent Space Tube Optimization (ISTO) two-stage approach facilitates solving complex nonlinear flow and contaminant transport management problems. It reduces computational effort of designing optimal ground water remediation systems and strategies for an assumed set of wells. ISTO's stage 1 defines an adaptive mobile space tube that lengthens toward the optimal solution. The space tube has overlapping multidimensional subspaces. Stage 1 generates several strategies within the space tube, trains neural surrogate simulators (NSS) using the limited space tube data, and optimizes using an advanced genetic algorithm (AGA) with NSS. Stage 1 speeds evaluating assumed well locations and combinations. For a large complex plume of solvents and explosives, ISTO stage 1 reaches within 10% of the optimal solution 25% faster than an efficient AGA coupled with comprehensive tabu search (AGCT) does by itself. ISTO input parameters include space tube radius and number of strategies used to train NSS per cycle. Larger radii can speed convergence to optimality for optimizations that achieve it but might increase the number of optimizations reaching it. ISTO stage 2 automatically refines the NSS-AGA stage 1 optimal strategy using heuristic optimization (we used AGCT), without using NSS surrogates. Stage 2 explores the entire solution space. ISTO is applicable for many heuristic optimization settings in which the numerical simulator is computationally intensive, and one would like to reduce that burden.

Multiple Source DF (Direction Finding) Signal Processing: An Experimental System,

DTIC Science & Technology

The MUltiple SIgnal Characterization ( MUSIC ) algorithm is an implementation of the Signal Subspace Approach to provide parameter estimates of...the signal subspace (obtained from the received data) and the array manifold (obtained via array calibration). The MUSIC algorithm has been

Factor analysis of auto-associative neural networks with application in speaker verification.

PubMed

Garimella, Sri; Hermansky, Hynek

2013-04-01

Auto-associative neural network (AANN) is a fully connected feed-forward neural network, trained to reconstruct its input at its output through a hidden compression layer, which has fewer numbers of nodes than the dimensionality of input. AANNs are used to model speakers in speaker verification, where a speaker-specific AANN model is obtained by adapting (or retraining) the universal background model (UBM) AANN, an AANN trained on multiple held out speakers, using corresponding speaker data. When the amount of speaker data is limited, this adaptation procedure may lead to overfitting as all the parameters of UBM-AANN are adapted. In this paper, we introduce and develop the factor analysis theory of AANNs to alleviate this problem. We hypothesize that only the weight matrix connecting the last nonlinear hidden layer and the output layer is speaker-specific, and further restrict it to a common low-dimensional subspace during adaptation. The subspace is learned using large amounts of development data, and is held fixed during adaptation. Thus, only the coordinates in a subspace, also known as i-vector, need to be estimated using speaker-specific data. The update equations are derived for learning both the common low-dimensional subspace and the i-vectors corresponding to speakers in the subspace. The resultant i-vector representation is used as a feature for the probabilistic linear discriminant analysis model. The proposed system shows promising results on the NIST-08 speaker recognition evaluation (SRE), and yields a 23% relative improvement in equal error rate over the previously proposed weighted least squares-based subspace AANNs system. The experiments on NIST-10 SRE confirm that these improvements are consistent and generalize across datasets.

Scalable posterior approximations for large-scale Bayesian inverse problems via likelihood-informed parameter and state reduction

NASA Astrophysics Data System (ADS)

Cui, Tiangang; Marzouk, Youssef; Willcox, Karen

2016-06-01

Two major bottlenecks to the solution of large-scale Bayesian inverse problems are the scaling of posterior sampling algorithms to high-dimensional parameter spaces and the computational cost of forward model evaluations. Yet incomplete or noisy data, the state variation and parameter dependence of the forward model, and correlations in the prior collectively provide useful structure that can be exploited for dimension reduction in this setting-both in the parameter space of the inverse problem and in the state space of the forward model. To this end, we show how to jointly construct low-dimensional subspaces of the parameter space and the state space in order to accelerate the Bayesian solution of the inverse problem. As a byproduct of state dimension reduction, we also show how to identify low-dimensional subspaces of the data in problems with high-dimensional observations. These subspaces enable approximation of the posterior as a product of two factors: (i) a projection of the posterior onto a low-dimensional parameter subspace, wherein the original likelihood is replaced by an approximation involving a reduced model; and (ii) the marginal prior distribution on the high-dimensional complement of the parameter subspace. We present and compare several strategies for constructing these subspaces using only a limited number of forward and adjoint model simulations. The resulting posterior approximations can rapidly be characterized using standard sampling techniques, e.g., Markov chain Monte Carlo. Two numerical examples demonstrate the accuracy and efficiency of our approach: inversion of an integral equation in atmospheric remote sensing, where the data dimension is very high; and the inference of a heterogeneous transmissivity field in a groundwater system, which involves a partial differential equation forward model with high dimensional state and parameters.

Noise-robust unsupervised spike sorting based on discriminative subspace learning with outlier handling.

PubMed

Keshtkaran, Mohammad Reza; Yang, Zhi

2017-06-01

Spike sorting is a fundamental preprocessing step for many neuroscience studies which rely on the analysis of spike trains. Most of the feature extraction and dimensionality reduction techniques that have been used for spike sorting give a projection subspace which is not necessarily the most discriminative one. Therefore, the clusters which appear inherently separable in some discriminative subspace may overlap if projected using conventional feature extraction approaches leading to a poor sorting accuracy especially when the noise level is high. In this paper, we propose a noise-robust and unsupervised spike sorting algorithm based on learning discriminative spike features for clustering. The proposed algorithm uses discriminative subspace learning to extract low dimensional and most discriminative features from the spike waveforms and perform clustering with automatic detection of the number of the clusters. The core part of the algorithm involves iterative subspace selection using linear discriminant analysis and clustering using Gaussian mixture model with outlier detection. A statistical test in the discriminative subspace is proposed to automatically detect the number of the clusters. Comparative results on publicly available simulated and real in vivo datasets demonstrate that our algorithm achieves substantially improved cluster distinction leading to higher sorting accuracy and more reliable detection of clusters which are highly overlapping and not detectable using conventional feature extraction techniques such as principal component analysis or wavelets. By providing more accurate information about the activity of more number of individual neurons with high robustness to neural noise and outliers, the proposed unsupervised spike sorting algorithm facilitates more detailed and accurate analysis of single- and multi-unit activities in neuroscience and brain machine interface studies.

Noise-robust unsupervised spike sorting based on discriminative subspace learning with outlier handling

NASA Astrophysics Data System (ADS)

Keshtkaran, Mohammad Reza; Yang, Zhi

2017-06-01

Objective. Spike sorting is a fundamental preprocessing step for many neuroscience studies which rely on the analysis of spike trains. Most of the feature extraction and dimensionality reduction techniques that have been used for spike sorting give a projection subspace which is not necessarily the most discriminative one. Therefore, the clusters which appear inherently separable in some discriminative subspace may overlap if projected using conventional feature extraction approaches leading to a poor sorting accuracy especially when the noise level is high. In this paper, we propose a noise-robust and unsupervised spike sorting algorithm based on learning discriminative spike features for clustering. Approach. The proposed algorithm uses discriminative subspace learning to extract low dimensional and most discriminative features from the spike waveforms and perform clustering with automatic detection of the number of the clusters. The core part of the algorithm involves iterative subspace selection using linear discriminant analysis and clustering using Gaussian mixture model with outlier detection. A statistical test in the discriminative subspace is proposed to automatically detect the number of the clusters. Main results. Comparative results on publicly available simulated and real in vivo datasets demonstrate that our algorithm achieves substantially improved cluster distinction leading to higher sorting accuracy and more reliable detection of clusters which are highly overlapping and not detectable using conventional feature extraction techniques such as principal component analysis or wavelets. Significance. By providing more accurate information about the activity of more number of individual neurons with high robustness to neural noise and outliers, the proposed unsupervised spike sorting algorithm facilitates more detailed and accurate analysis of single- and multi-unit activities in neuroscience and brain machine interface studies.

Experimental state control by fast non-Abelian holonomic gates with a superconducting qutrit

NASA Astrophysics Data System (ADS)

Danilin, S.; Vepsäläinen, A.; Paraoanu, G. S.

2018-05-01

Quantum state manipulation with gates based on geometric phases acquired during cyclic operations promises inherent fault-tolerance and resilience to local fluctuations in the control parameters. Here we create a general non-Abelian and non-adiabatic holonomic gate acting in the (∣0〉, ∣2〉) subspace of a three-level (qutrit) transmon device fabricated in a fully coplanar design. Experimentally, this is realized by simultaneously coupling the first two transitions by microwave pulses with amplitudes and phases defined such that the condition of parallel transport is fulfilled. We demonstrate the creation of arbitrary superpositions in this subspace by changing the amplitudes of the pulses and the relative phase between them. We use two-photon pulses acting in the holonomic subspace to reveal the coherence of the state created by the geometric gate pulses and to prepare different superposition states. We also test the action of holonomic NOT and Hadamard gates on superpositions in the (| 0> ,| 2> ) subspace.

Improvement in the Accuracy of Matching by Different Feature Subspaces in Traffic Sign Recognition

NASA Astrophysics Data System (ADS)

Ihara, Arihito; Fujiyoshi, Hironobu; Takaki, Masanari; Kumon, Hiroaki; Tamatsu, Yukimasa

A technique for recognizing traffic signs from an image taken with an in-vehicle camera has already been proposed as driver's drive assist. SIFT feature is used for traffic sign recognition, because it is robust to changes in scaling and rotating of the traffic sign. However, it is difficult to process in real-time because the computation cost of the SIFT feature extraction and matching is expensive. This paper presents a method of traffic sign recognition based on keypoint classifier by AdaBoost using PCA-SIFT features in different feature subspaces. Each subspace is constructed from gradients of traffic sign images and general images respectively. A detected keypoint is projected to both subspaces, and then the AdaBoost employs to classy into whether the keypoint is on the traffic sign or not. Experimental results show that the computation cost for keypoint matching can be reduced to about 1/2 compared with the conventional method.

Application of higher order SVD to vibration-based system identification and damage detection

NASA Astrophysics Data System (ADS)

Chao, Shu-Hsien; Loh, Chin-Hsiung; Weng, Jian-Huang

2012-04-01

Singular value decomposition (SVD) is a powerful linear algebra tool. It is widely used in many different signal processing methods, such principal component analysis (PCA), singular spectrum analysis (SSA), frequency domain decomposition (FDD), subspace identification and stochastic subspace identification method ( SI and SSI ). In each case, the data is arranged appropriately in matrix form and SVD is used to extract the feature of the data set. In this study three different algorithms on signal processing and system identification are proposed: SSA, SSI-COV and SSI-DATA. Based on the extracted subspace and null-space from SVD of data matrix, damage detection algorithms can be developed. The proposed algorithm is used to process the shaking table test data of the 6-story steel frame. Features contained in the vibration data are extracted by the proposed method. Damage detection can then be investigated from the test data of the frame structure through subspace-based and nullspace-based damage indices.

Metastable decoherence-free subspaces and electromagnetically induced transparency in interacting many-body systems

NASA Astrophysics Data System (ADS)

Macieszczak, Katarzyna; Zhou, YanLi; Hofferberth, Sebastian; Garrahan, Juan P.; Li, Weibin; Lesanovsky, Igor

2017-10-01

We investigate the dynamics of a generic interacting many-body system under conditions of electromagnetically induced transparency (EIT). This problem is of current relevance due to its connection to nonlinear optical media realized by Rydberg atoms. In an interacting system the structure of the dynamics and the approach to the stationary state becomes far more complex than in the case of conventional EIT. In particular, we discuss the emergence of a metastable decoherence-free subspace, whose dimension for a single Rydberg excitation grows linearly in the number of atoms. On approach to stationarity this leads to a slow dynamics, which renders the typical assumption of fast relaxation invalid. We derive analytically the effective nonequilibrium dynamics in the decoherence-free subspace, which features coherent and dissipative two-body interactions. We discuss the use of this scenario for the preparation of collective entangled dark states and the realization of general unitary dynamics within the spin-wave subspace.

Assessment of time-dependent density functional theory with the restricted excitation space approximation for excited state calculations of large systems

NASA Astrophysics Data System (ADS)

Hanson-Heine, Magnus W. D.; George, Michael W.; Besley, Nicholas A.

2018-06-01

The restricted excitation subspace approximation is explored as a basis to reduce the memory storage required in linear response time-dependent density functional theory (TDDFT) calculations within the Tamm-Dancoff approximation. It is shown that excluding the core orbitals and up to 70% of the virtual orbitals in the construction of the excitation subspace does not result in significant changes in computed UV/vis spectra for large molecules. The reduced size of the excitation subspace greatly reduces the size of the subspace vectors that need to be stored when using the Davidson procedure to determine the eigenvalues of the TDDFT equations. Furthermore, additional screening of the two-electron integrals in combination with a reduction in the size of the numerical integration grid used in the TDDFT calculation leads to significant computational savings. The use of these approximations represents a simple approach to extend TDDFT to the study of large systems and make the calculations increasingly tractable using modest computing resources.

Multi-frequency subspace migration for imaging of perfectly conducting, arc-like cracks in full- and limited-view inverse scattering problems

NASA Astrophysics Data System (ADS)

Park, Won-Kwang

2015-02-01

Multi-frequency subspace migration imaging techniques are usually adopted for the non-iterative imaging of unknown electromagnetic targets, such as cracks in concrete walls or bridges and anti-personnel mines in the ground, in the inverse scattering problems. It is confirmed that this technique is very fast, effective, robust, and can not only be applied to full- but also to limited-view inverse problems if a suitable number of incidents and corresponding scattered fields are applied and collected. However, in many works, the application of such techniques is heuristic. With the motivation of such heuristic application, this study analyzes the structure of the imaging functional employed in the subspace migration imaging technique in two-dimensional full- and limited-view inverse scattering problems when the unknown targets are arbitrary-shaped, arc-like perfectly conducting cracks located in the two-dimensional homogeneous space. In contrast to the statistical approach based on statistical hypothesis testing, our approach is based on the fact that the subspace migration imaging functional can be expressed by a linear combination of the Bessel functions of integer order of the first kind. This is based on the structure of the Multi-Static Response (MSR) matrix collected in the far-field at nonzero frequency in either Transverse Magnetic (TM) mode (Dirichlet boundary condition) or Transverse Electric (TE) mode (Neumann boundary condition). The investigation of the expression of imaging functionals gives us certain properties of subspace migration and explains why multi-frequency enhances imaging resolution. In particular, we carefully analyze the subspace migration and confirm some properties of imaging when a small number of incident fields are applied. Consequently, we introduce a weighted multi-frequency imaging functional and confirm that it is an improved version of subspace migration in TM mode. Various results of numerical simulations performed on the far-field data affected by large amounts of random noise are similar to the analytical results derived in this study, and they provide a direction for future studies.

A Case-Based Reasoning Method with Rank Aggregation

NASA Astrophysics Data System (ADS)

Sun, Jinhua; Du, Jiao; Hu, Jian

2018-03-01

In order to improve the accuracy of case-based reasoning (CBR), this paper addresses a new CBR framework with the basic principle of rank aggregation. First, the ranking methods are put forward in each attribute subspace of case. The ordering relation between cases on each attribute is got between cases. Then, a sorting matrix is got. Second, the similar case retrieval process from ranking matrix is transformed into a rank aggregation optimal problem, which uses the Kemeny optimal. On the basis, a rank aggregation case-based reasoning algorithm, named RA-CBR, is designed. The experiment result on UCI data sets shows that case retrieval accuracy of RA-CBR algorithm is higher than euclidean distance CBR and mahalanobis distance CBR testing.So we can get the conclusion that RA-CBR method can increase the performance and efficiency of CBR.

Molecular activity prediction by means of supervised subspace projection based ensembles of classifiers.

PubMed

Cerruela García, G; García-Pedrajas, N; Luque Ruiz, I; Gómez-Nieto, M Á

2018-03-01

This paper proposes a method for molecular activity prediction in QSAR studies using ensembles of classifiers constructed by means of two supervised subspace projection methods, namely nonparametric discriminant analysis (NDA) and hybrid discriminant analysis (HDA). We studied the performance of the proposed ensembles compared to classical ensemble methods using four molecular datasets and eight different models for the representation of the molecular structure. Using several measures and statistical tests for classifier comparison, we observe that our proposal improves the classification results with respect to classical ensemble methods. Therefore, we show that ensembles constructed using supervised subspace projections offer an effective way of creating classifiers in cheminformatics.

On spectral synthesis on zero-dimensional Abelian groups

NASA Astrophysics Data System (ADS)

Platonov, S. S.

2013-09-01

Let G be a zero-dimensional locally compact Abelian group all of whose elements are compact, and let C(G) be the space of all complex-valued continuous functions on G. A closed linear subspace \\mathscr H\\subseteq C(G) is said to be an invariant subspace if it is invariant with respect to the translations \\tau_y\\colon f(x)\\mapsto f(x+y), y\\in G. In the paper, it is proved that any invariant subspace \\mathscr H admits spectral synthesis, that is, \\mathscr H coincides with the closed linear span of the characters of G belonging to \\mathscr H. Bibliography: 25 titles.

Conditioned invariant subspaces, disturbance decoupling and solutions of rational matrix equations

NASA Technical Reports Server (NTRS)

Li, Z.; Sastry, S. S.

1986-01-01

Conditioned invariant subspaces are introduced both in terms of output injection and in terms of state estimation. Various properties of these subspaces are explored and the problem of disturbance decoupling by output injection (OIP) is defined. It is then shown that OIP is equivalent to the problem of disturbance decoupled estimation as introduced in Willems (1982) and Willems and Commault (1980). Both solvability conditions and a description of solutions for a class of rational matrix equations of the form X(s)M(s) = Q(s) on several ways are given in state-space form. Finally, the problem of output stabilization with respect to a disturbance is briefly addressed.

Essential uncontrollability of discrete linear, time-invariant, dynamical systems

NASA Technical Reports Server (NTRS)

Cliff, E. M.

1975-01-01

The concept of a 'best approximating m-dimensional subspace' for a given set of vectors in n-dimensional whole space is introduced. Such a subspace is easily described in terms of the eigenvectors of an associated Gram matrix. This technique is used to approximate an achievable set for a discrete linear time-invariant dynamical system. This approximation characterizes the part of the state space that may be reached using modest levels of control. If the achievable set can be closely approximated by a proper subspace of the whole space then the system is 'essentially uncontrollable'. The notion finds application in studies of failure-tolerant systems, and in decoupling.

XY vs X Mixer in Quantum Alternating Operator Ansatz for Optimization Problems with Constraints

NASA Technical Reports Server (NTRS)

Wang, Zhihui; Rubin, Nicholas; Rieffel, Eleanor G.

2018-01-01

Quantum Approximate Optimization Algorithm, further generalized as Quantum Alternating Operator Ansatz (QAOA), is a family of algorithms for combinatorial optimization problems. It is a leading candidate to run on emerging universal quantum computers to gain insight into quantum heuristics. In constrained optimization, penalties are often introduced so that the ground state of the cost Hamiltonian encodes the solution (a standard practice in quantum annealing). An alternative is to choose a mixing Hamiltonian such that the constraint corresponds to a constant of motion and the quantum evolution stays in the feasible subspace. Better performance of the algorithm is speculated due to a much smaller search space. We consider problems with a constant Hamming weight as the constraint. We also compare different methods of generating the generalized W-state, which serves as a natural initial state for the Hamming-weight constraint. Using graph-coloring as an example, we compare the performance of using XY model as a mixer that preserves the Hamming weight with the performance of adding a penalty term in the cost Hamiltonian.

Direct discriminant locality preserving projection with Hammerstein polynomial expansion.

PubMed

Chen, Xi; Zhang, Jiashu; Li, Defang

2012-12-01

Discriminant locality preserving projection (DLPP) is a linear approach that encodes discriminant information into the objective of locality preserving projection and improves its classification ability. To enhance the nonlinear description ability of DLPP, we can optimize the objective function of DLPP in reproducing kernel Hilbert space to form a kernel-based discriminant locality preserving projection (KDLPP). However, KDLPP suffers the following problems: 1) larger computational burden; 2) no explicit mapping functions in KDLPP, which results in more computational burden when projecting a new sample into the low-dimensional subspace; and 3) KDLPP cannot obtain optimal discriminant vectors, which exceedingly optimize the objective of DLPP. To overcome the weaknesses of KDLPP, in this paper, a direct discriminant locality preserving projection with Hammerstein polynomial expansion (HPDDLPP) is proposed. The proposed HPDDLPP directly implements the objective of DLPP in high-dimensional second-order Hammerstein polynomial space without matrix inverse, which extracts the optimal discriminant vectors for DLPP without larger computational burden. Compared with some other related classical methods, experimental results for face and palmprint recognition problems indicate the effectiveness of the proposed HPDDLPP.

A comparison of optimal MIMO linear and nonlinear models for brain machine interfaces

NASA Astrophysics Data System (ADS)

Kim, S.-P.; Sanchez, J. C.; Rao, Y. N.; Erdogmus, D.; Carmena, J. M.; Lebedev, M. A.; Nicolelis, M. A. L.; Principe, J. C.

2006-06-01

The field of brain-machine interfaces requires the estimation of a mapping from spike trains collected in motor cortex areas to the hand kinematics of the behaving animal. This paper presents a systematic investigation of several linear (Wiener filter, LMS adaptive filters, gamma filter, subspace Wiener filters) and nonlinear models (time-delay neural network and local linear switching models) applied to datasets from two experiments in monkeys performing motor tasks (reaching for food and target hitting). Ensembles of 100-200 cortical neurons were simultaneously recorded in these experiments, and even larger neuronal samples are anticipated in the future. Due to the large size of the models (thousands of parameters), the major issue studied was the generalization performance. Every parameter of the models (not only the weights) was selected optimally using signal processing and machine learning techniques. The models were also compared statistically with respect to the Wiener filter as the baseline. Each of the optimization procedures produced improvements over that baseline for either one of the two datasets or both.

A comparison of optimal MIMO linear and nonlinear models for brain-machine interfaces.

PubMed

Kim, S-P; Sanchez, J C; Rao, Y N; Erdogmus, D; Carmena, J M; Lebedev, M A; Nicolelis, M A L; Principe, J C

2006-06-01

The field of brain-machine interfaces requires the estimation of a mapping from spike trains collected in motor cortex areas to the hand kinematics of the behaving animal. This paper presents a systematic investigation of several linear (Wiener filter, LMS adaptive filters, gamma filter, subspace Wiener filters) and nonlinear models (time-delay neural network and local linear switching models) applied to datasets from two experiments in monkeys performing motor tasks (reaching for food and target hitting). Ensembles of 100-200 cortical neurons were simultaneously recorded in these experiments, and even larger neuronal samples are anticipated in the future. Due to the large size of the models (thousands of parameters), the major issue studied was the generalization performance. Every parameter of the models (not only the weights) was selected optimally using signal processing and machine learning techniques. The models were also compared statistically with respect to the Wiener filter as the baseline. Each of the optimization procedures produced improvements over that baseline for either one of the two datasets or both.

Development and Application of the Collaborative Optimization Architecture in a Multidisciplinary Design Environment

NASA Technical Reports Server (NTRS)

Braun, R. D.; Kroo, I. M.

1995-01-01

Collaborative optimization is a design architecture applicable in any multidisciplinary analysis environment but specifically intended for large-scale distributed analysis applications. In this approach, a complex problem is hierarchically de- composed along disciplinary boundaries into a number of subproblems which are brought into multidisciplinary agreement by a system-level coordination process. When applied to problems in a multidisciplinary design environment, this scheme has several advantages over traditional solution strategies. These advantageous features include reducing the amount of information transferred between disciplines, the removal of large iteration-loops, allowing the use of different subspace optimizers among the various analysis groups, an analysis framework which is easily parallelized and can operate on heterogenous equipment, and a structural framework that is well-suited for conventional disciplinary organizations. In this article, the collaborative architecture is developed and its mathematical foundation is presented. An example application is also presented which highlights the potential of this method for use in large-scale design applications.

A Scalable, Parallel Approach for Multi-Point, High-Fidelity Aerostructural Optimization of Aircraft Configurations

NASA Astrophysics Data System (ADS)

Kenway, Gaetan K. W.

This thesis presents new tools and techniques developed to address the challenging problem of high-fidelity aerostructural optimization with respect to large numbers of design variables. A new mesh-movement scheme is developed that is both computationally efficient and sufficiently robust to accommodate large geometric design changes and aerostructural deformations. A fully coupled Newton-Krylov method is presented that accelerates the convergence of aerostructural systems and provides a 20% performance improvement over the traditional nonlinear block Gauss-Seidel approach and can handle more exible structures. A coupled adjoint method is used that efficiently computes derivatives for a gradient-based optimization algorithm. The implementation uses only machine accurate derivative techniques and is verified to yield fully consistent derivatives by comparing against the complex step method. The fully-coupled large-scale coupled adjoint solution method is shown to have 30% better performance than the segregated approach. The parallel scalability of the coupled adjoint technique is demonstrated on an Euler Computational Fluid Dynamics (CFD) model with more than 80 million state variables coupled to a detailed structural finite-element model of the wing with more than 1 million degrees of freedom. Multi-point high-fidelity aerostructural optimizations of a long-range wide-body, transonic transport aircraft configuration are performed using the developed techniques. The aerostructural analysis employs Euler CFD with a 2 million cell mesh and a structural finite element model with 300 000 DOF. Two design optimization problems are solved: one where takeoff gross weight is minimized, and another where fuel burn is minimized. Each optimization uses a multi-point formulation with 5 cruise conditions and 2 maneuver conditions. The optimization problems have 476 design variables are optimal results are obtained within 36 hours of wall time using 435 processors. The TOGW minimization results in a 4.2% reduction in TOGW with a 6.6% fuel burn reduction, while the fuel burn optimization resulted in a 11.2% fuel burn reduction with no change to the takeoff gross weight.

A Problem-Centered Approach to Canonical Matrix Forms

ERIC Educational Resources Information Center

Sylvestre, Jeremy

2014-01-01

This article outlines a problem-centered approach to the topic of canonical matrix forms in a second linear algebra course. In this approach, abstract theory, including such topics as eigenvalues, generalized eigenspaces, invariant subspaces, independent subspaces, nilpotency, and cyclic spaces, is developed in response to the patterns discovered…

An efficient shooting algorithm for Evans function calculations in large systems

NASA Astrophysics Data System (ADS)

Humpherys, Jeffrey; Zumbrun, Kevin

2006-08-01

In Evans function computations of the spectra of asymptotically constant-coefficient linear operators, a basic issue is the efficient and numerically stable computation of subspaces evolving according to the associated eigenvalue ODE. For small systems, a fast, shooting algorithm may be obtained by representing subspaces as single exterior products [J.C. Alexander, R. Sachs, Linear instability of solitary waves of a Boussinesq-type equation: A computer assisted computation, Nonlinear World 2 (4) (1995) 471-507; L.Q. Brin, Numerical testing of the stability of viscous shock waves, Ph.D. Thesis, Indiana University, Bloomington, 1998; L.Q. Brin, Numerical testing of the stability of viscous shock waves, Math. Comp. 70 (235) (2001) 1071-1088; L.Q. Brin, K. Zumbrun, Analytically varying eigenvectors and the stability of viscous shock waves, in: Seventh Workshop on Partial Differential Equations, Part I, 2001, Rio de Janeiro, Mat. Contemp. 22 (2002) 19-32; T.J. Bridges, G. Derks, G. Gottwald, Stability and instability of solitary waves of the fifth-order KdV equation: A numerical framework, Physica D 172 (1-4) (2002) 190-216]. For large systems, however, the dimension of the exterior-product space quickly becomes prohibitive, growing as (n/k), where n is the dimension of the system written as a first-order ODE and k (typically ˜n/2) is the dimension of the subspace. We resolve this difficulty by the introduction of a simple polar coordinate algorithm representing “pure” (monomial) products as scalar multiples of orthonormal bases, for which the angular equation is a numerically optimized version of the continuous orthogonalization method of Drury-Davey [A. Davey, An automatic orthonormalization method for solving stiff boundary value problems, J. Comput. Phys. 51 (2) (1983) 343-356; L.O. Drury, Numerical solution of Orr-Sommerfeld-type equations, J. Comput. Phys. 37 (1) (1980) 133-139] and the radial equation is evaluable by quadrature. Notably, the polar-coordinate method preserves the important property of analyticity with respect to parameters.

Some nonlinear damping models in flexible structures

NASA Technical Reports Server (NTRS)

Balakrishnan, A. V.

1988-01-01

A class of nonlinear damping models is introduced with application to flexible flight structures characterized by low damping. Approximate solutions of engineering interest are obtained for the model using the classical averaging technique of Krylov and Bogoliubov. The results should be considered preliminary pending further investigation.

Application of a fast Newton-Krylov solver for equilibrium simulations of phosphorus and oxygen

NASA Astrophysics Data System (ADS)

Fu, Weiwei; Primeau, François

2017-11-01

Model drift due to inadequate spinup is a serious problem that complicates the interpretation of climate change simulations. Even after a 300 year spinup we show that solutions are not only still drifting but often drifting away from their eventual equilibrium over large parts of the ocean. Here we present a Newton-Krylov solver for computing cyclostationary equilibrium solutions of a biogeochemical model for the cycling of phosphorus and oxygen. In addition to using previously developed preconditioning strategies - time-averaging and coarse-graining the Jacobian matrix - we also introduce a new strategy: the adiabatic elimination of a fast variable (particulate organic phosphorus) by slaving it to a slow variable (dissolved inorganic phosphorus). We use transport matrices derived from the Community Earth System Model (CESM) with a nominal horizontal resolution of 1° × 1° and 60 vertical levels to implement and test the solver. We find that the new solver obtains seasonally-varying equilibrium solutions with no visible drift using no more than 80 simulation years.

Hybrid parallelization of the XTOR-2F code for the simulation of two-fluid MHD instabilities in tokamaks

NASA Astrophysics Data System (ADS)

Marx, Alain; Lütjens, Hinrich

2017-03-01

A hybrid MPI/OpenMP parallel version of the XTOR-2F code [Lütjens and Luciani, J. Comput. Phys. 229 (2010) 8130] solving the two-fluid MHD equations in full tokamak geometry by means of an iterative Newton-Krylov matrix-free method has been developed. The present work shows that the code has been parallelized significantly despite the numerical profile of the problem solved by XTOR-2F, i.e. a discretization with pseudo-spectral representations in all angular directions, the stiffness of the two-fluid stability problem in tokamaks, and the use of a direct LU decomposition to invert the physical pre-conditioner at every Krylov iteration of the solver. The execution time of the parallelized version is an order of magnitude smaller than the sequential one for low resolution cases, with an increasing speedup when the discretization mesh is refined. Moreover, it allows to perform simulations with higher resolutions, previously forbidden because of memory limitations.

A novel variable selection approach that iteratively optimizes variable space using weighted binary matrix sampling.

PubMed

Deng, Bai-chuan; Yun, Yong-huan; Liang, Yi-zeng; Yi, Lun-zhao

2014-10-07

In this study, a new optimization algorithm called the Variable Iterative Space Shrinkage Approach (VISSA) that is based on the idea of model population analysis (MPA) is proposed for variable selection. Unlike most of the existing optimization methods for variable selection, VISSA statistically evaluates the performance of variable space in each step of optimization. Weighted binary matrix sampling (WBMS) is proposed to generate sub-models that span the variable subspace. Two rules are highlighted during the optimization procedure. First, the variable space shrinks in each step. Second, the new variable space outperforms the previous one. The second rule, which is rarely satisfied in most of the existing methods, is the core of the VISSA strategy. Compared with some promising variable selection methods such as competitive adaptive reweighted sampling (CARS), Monte Carlo uninformative variable elimination (MCUVE) and iteratively retaining informative variables (IRIV), VISSA showed better prediction ability for the calibration of NIR data. In addition, VISSA is user-friendly; only a few insensitive parameters are needed, and the program terminates automatically without any additional conditions. The Matlab codes for implementing VISSA are freely available on the website: https://sourceforge.net/projects/multivariateanalysis/files/VISSA/.

Nonlinear and parallel algorithms for finite element discretizations of the incompressible Navier-Stokes equations

NASA Astrophysics Data System (ADS)

Arteaga, Santiago Egido

1998-12-01

The steady-state Navier-Stokes equations are of considerable interest because they are used to model numerous common physical phenomena. The applications encountered in practice often involve small viscosities and complicated domain geometries, and they result in challenging problems in spite of the vast attention that has been dedicated to them. In this thesis we examine methods for computing the numerical solution of the primitive variable formulation of the incompressible equations on distributed memory parallel computers. We use the Galerkin method to discretize the differential equations, although most results are stated so that they apply also to stabilized methods. We also reformulate some classical results in a single framework and discuss some issues frequently dismissed in the literature, such as the implementation of pressure space basis and non- homogeneous boundary values. We consider three nonlinear methods: Newton's method, Oseen's (or Picard) iteration, and sequences of Stokes problems. All these iterative nonlinear methods require solving a linear system at every step. Newton's method has quadratic convergence while that of the others is only linear; however, we obtain theoretical bounds showing that Oseen's iteration is more robust, and we confirm it experimentally. In addition, although Oseen's iteration usually requires more iterations than Newton's method, the linear systems it generates tend to be simpler and its overall costs (in CPU time) are lower. The Stokes problems result in linear systems which are easier to solve, but its convergence is much slower, so that it is competitive only for large viscosities. Inexact versions of these methods are studied, and we explain why the best timings are obtained using relatively modest error tolerances in solving the corresponding linear systems. We also present a new damping optimization strategy based on the quadratic nature of the Navier-Stokes equations, which improves the robustness of all the linearization strategies considered and whose computational cost is negligible. The algebraic properties of these systems depend on both the discretization and nonlinear method used. We study in detail the positive definiteness and skewsymmetry of the advection submatrices (essentially, convection-diffusion problems). We propose a discretization based on a new trilinear form for Newton's method. We solve the linear systems using three Krylov subspace methods, GMRES, QMR and TFQMR, and compare the advantages of each. Our emphasis is on parallel algorithms, and so we consider preconditioners suitable for parallel computers such as line variants of the Jacobi and Gauss- Seidel methods, alternating direction implicit methods, and Chebyshev and least squares polynomial preconditioners. These work well for moderate viscosities (moderate Reynolds number). For small viscosities we show that effective parallel solution of the advection subproblem is a critical factor to improve performance. Implementation details on a CM-5 are presented.

Subspace projection method for unstructured searches with noisy quantum oracles using a signal-based quantum emulation device

NASA Astrophysics Data System (ADS)

La Cour, Brian R.; Ostrove, Corey I.

2017-01-01

This paper describes a novel approach to solving unstructured search problems using a classical, signal-based emulation of a quantum computer. The classical nature of the representation allows one to perform subspace projections in addition to the usual unitary gate operations. Although bandwidth requirements will limit the scale of problems that can be solved by this method, it can nevertheless provide a significant computational advantage for problems of limited size. In particular, we find that, for the same number of noisy oracle calls, the proposed subspace projection method provides a higher probability of success for finding a solution than does an single application of Grover's algorithm on the same device.

BI-sparsity pursuit for robust subspace recovery

DOE PAGES

Bian, Xiao; Krim, Hamid

2015-09-01

Here, the success of sparse models in computer vision and machine learning in many real-world applications, may be attributed in large part, to the fact that many high dimensional data are distributed in a union of low dimensional subspaces. The underlying structure may, however, be adversely affected by sparse errors, thus inducing additional complexity in recovering it. In this paper, we propose a bi-sparse model as a framework to investigate and analyze this problem, and provide as a result , a novel algorithm to recover the union of subspaces in presence of sparse corruptions. We additionally demonstrate the effectiveness ofmore » our method by experiments on real-world vision data.« less

Active Subspace Methods for Data-Intensive Inverse Problems

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

Wang, Qiqi

2017-04-27

The project has developed theory and computational tools to exploit active subspaces to reduce the dimension in statistical calibration problems. This dimension reduction enables MCMC methods to calibrate otherwise intractable models. The same theoretical and computational tools can also reduce the measurement dimension for calibration problems that use large stores of data.

Basis adaptation in homogeneous chaos spaces

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

Tipireddy, Ramakrishna; Ghanem, Roger

2014-02-01

We present a new meth for the characterization of subspaces associated with low-dimensional quantities of interet (QoI). The probability density function of these QoI is found to be concentrated around one-dimensional subspaces for which we develop projection operators. Our approach builds on the properties of Gaussian Hilbert spaces and associated tensor product spaces.

Active subspace uncertainty quantification for a polydomain ferroelectric phase-field model

NASA Astrophysics Data System (ADS)

Leon, Lider S.; Smith, Ralph C.; Miles, Paul; Oates, William S.

2018-03-01

Quantum-informed ferroelectric phase field models capable of predicting material behavior, are necessary for facilitating the development and production of many adaptive structures and intelligent systems. Uncertainty is present in these models, given the quantum scale at which calculations take place. A necessary analysis is to determine how the uncertainty in the response can be attributed to the uncertainty in the model inputs or parameters. A second analysis is to identify active subspaces within the original parameter space, which quantify directions in which the model response varies most dominantly, thus reducing sampling effort and computational cost. In this investigation, we identify an active subspace for a poly-domain ferroelectric phase-field model. Using the active variables as our independent variables, we then construct a surrogate model and perform Bayesian inference. Once we quantify the uncertainties in the active variables, we obtain uncertainties for the original parameters via an inverse mapping. The analysis provides insight into how active subspace methodologies can be used to reduce computational power needed to perform Bayesian inference on model parameters informed by experimental or simulated data.

Data-driven modeling and predictive control for boiler-turbine unit using fuzzy clustering and subspace methods.

PubMed

Wu, Xiao; Shen, Jiong; Li, Yiguo; Lee, Kwang Y

2014-05-01

This paper develops a novel data-driven fuzzy modeling strategy and predictive controller for boiler-turbine unit using fuzzy clustering and subspace identification (SID) methods. To deal with the nonlinear behavior of boiler-turbine unit, fuzzy clustering is used to provide an appropriate division of the operation region and develop the structure of the fuzzy model. Then by combining the input data with the corresponding fuzzy membership functions, the SID method is extended to extract the local state-space model parameters. Owing to the advantages of the both methods, the resulting fuzzy model can represent the boiler-turbine unit very closely, and a fuzzy model predictive controller is designed based on this model. As an alternative approach, a direct data-driven fuzzy predictive control is also developed following the same clustering and subspace methods, where intermediate subspace matrices developed during the identification procedure are utilized directly as the predictor. Simulation results show the advantages and effectiveness of the proposed approach. Copyright © 2014 ISA. Published by Elsevier Ltd. All rights reserved.

Dynamic implicit 3D adaptive mesh refinement for non-equilibrium radiation diffusion

NASA Astrophysics Data System (ADS)

Philip, B.; Wang, Z.; Berrill, M. A.; Birke, M.; Pernice, M.

2014-04-01

The time dependent non-equilibrium radiation diffusion equations are important for solving the transport of energy through radiation in optically thick regimes and find applications in several fields including astrophysics and inertial confinement fusion. The associated initial boundary value problems that are encountered often exhibit a wide range of scales in space and time and are extremely challenging to solve. To efficiently and accurately simulate these systems we describe our research on combining techniques that will also find use more broadly for long term time integration of nonlinear multi-physics systems: implicit time integration for efficient long term time integration of stiff multi-physics systems, local control theory based step size control to minimize the required global number of time steps while controlling accuracy, dynamic 3D adaptive mesh refinement (AMR) to minimize memory and computational costs, Jacobian Free Newton-Krylov methods on AMR grids for efficient nonlinear solution, and optimal multilevel preconditioner components that provide level independent solver convergence.

The aggregated unfitted finite element method for elliptic problems

NASA Astrophysics Data System (ADS)

Badia, Santiago; Verdugo, Francesc; Martín, Alberto F.

2018-07-01

Unfitted finite element techniques are valuable tools in different applications where the generation of body-fitted meshes is difficult. However, these techniques are prone to severe ill conditioning problems that obstruct the efficient use of iterative Krylov methods and, in consequence, hinders the practical usage of unfitted methods for realistic large scale applications. In this work, we present a technique that addresses such conditioning problems by constructing enhanced finite element spaces based on a cell aggregation technique. The presented method, called aggregated unfitted finite element method, is easy to implement, and can be used, in contrast to previous works, in Galerkin approximations of coercive problems with conforming Lagrangian finite element spaces. The mathematical analysis of the new method states that the condition number of the resulting linear system matrix scales as in standard finite elements for body-fitted meshes, without being affected by small cut cells, and that the method leads to the optimal finite element convergence order. These theoretical results are confirmed with 2D and 3D numerical experiments.

Fully implicit adaptive mesh refinement solver for 2D MHD

NASA Astrophysics Data System (ADS)

Philip, B.; Chacon, L.; Pernice, M.

2008-11-01

Application of implicit adaptive mesh refinement (AMR) to simulate resistive magnetohydrodynamics is described. Solving this challenging multi-scale, multi-physics problem can improve understanding of reconnection in magnetically-confined plasmas. AMR is employed to resolve extremely thin current sheets, essential for an accurate macroscopic description. Implicit time stepping allows us to accurately follow the dynamical time scale of the developing magnetic field, without being restricted by fast Alfven time scales. At each time step, the large-scale system of nonlinear equations is solved by a Jacobian-free Newton-Krylov method together with a physics-based preconditioner. Each block within the preconditioner is solved optimally using the Fast Adaptive Composite grid method, which can be considered as a multiplicative Schwarz method on AMR grids. We will demonstrate the excellent accuracy and efficiency properties of the method with several challenging reduced MHD applications, including tearing, island coalescence, and tilt instabilities. B. Philip, L. Chac'on, M. Pernice, J. Comput. Phys., in press (2008)

Visual characterization and diversity quantification of chemical libraries: 2. Analysis and selection of size-independent, subspace-specific diversity indices.

PubMed

Colliandre, Lionel; Le Guilloux, Vincent; Bourg, Stephane; Morin-Allory, Luc

2012-02-27

High Throughput Screening (HTS) is a standard technique widely used to find hit compounds in drug discovery projects. The high costs associated with such experiments have highlighted the need to carefully design screening libraries in order to avoid wasting resources. Molecular diversity is an established concept that has been used to this end for many years. In this article, a new approach to quantify the molecular diversity of screening libraries is presented. The approach is based on the Delimited Reference Chemical Subspace (DRCS) methodology, a new method that can be used to delimit the densest subspace spanned by a reference library in a reduced 2D continuous space. A total of 22 diversity indices were implemented or adapted to this methodology, which is used here to remove outliers and obtain a relevant cell-based partition of the subspace. The behavior of these indices was assessed and compared in various extreme situations and with respect to a set of theoretical rules that a diversity function should satisfy when libraries of different sizes have to be compared. Some gold standard indices are found inappropriate in such a context, while none of the tested indices behave perfectly in all cases. Five DRCS-based indices accounting for different aspects of diversity were finally selected, and a simple framework is proposed to use them effectively. Various libraries have been profiled with respect to more specific subspaces, which further illustrate the interest of the method.

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.

Improved Detection of Local Earthquakes in the Vienna Basin (Austria), using Subspace Detectors

NASA Astrophysics Data System (ADS)

Apoloner, Maria-Theresia; Caffagni, Enrico; Bokelmann, Götz

2016-04-01

The Vienna Basin in Eastern Austria is densely populated and highly-developed; it is also a region of low to moderate seismicity, yet the seismological network coverage is relatively sparse. This demands improving our capability of earthquake detection by testing new methods, enlarging the existing local earthquake catalogue. This contributes to imaging tectonic fault zones for better understanding seismic hazard, also through improved earthquake statistics (b-value, magnitude of completeness). Detection of low-magnitude earthquakes or events for which the highest amplitudes slightly exceed the signal-to-noise-ratio (SNR), may be possible by using standard methods like the short-term over long-term average (STA/LTA). However, due to sparse network coverage and high background noise, such a technique may not detect all potentially recoverable events. Yet, earthquakes originating from the same source region and relatively close to each other, should be characterized by similarity in seismic waveforms, at a given station. Therefore, waveform similarity can be exploited by using specific techniques such as correlation-template based (also known as matched filtering) or subspace detection methods (based on the subspace theory). Matching techniques basically require a reference or template event, usually characterized by high waveform coherence in the array receivers, and high SNR, which is cross-correlated with the continuous data. Instead, subspace detection methods overcome in principle the necessity of defining template events as single events, but use a subspace extracted from multiple events. This approach theoretically should be more robust in detecting signals that exhibit a strong variability (e.g. because of source or magnitude). In this study we scan the continuous data recorded in the Vienna Basin with a subspace detector to identify additional events. This will allow us to estimate the increase of the seismicity rate in the local earthquake catalogue, therefore providing an evaluation of network performance and efficiency of the method.

A novel manifold-manifold distance index applied to looseness state assessment of viscoelastic sandwich structures

NASA Astrophysics Data System (ADS)

Sun, Chuang; Zhang, Zhousuo; Guo, Ting; Luo, Xue; Qu, Jinxiu; Zhang, Chenxuan; Cheng, Wei; Li, Bing

2014-06-01

Viscoelastic sandwich structures (VSS) are widely used in mechanical equipment; their state assessment is necessary to detect structural states and to keep equipment running with high reliability. This paper proposes a novel manifold-manifold distance-based assessment (M2DBA) method for assessing the looseness state in VSSs. In the M2DBA method, a manifold-manifold distance is viewed as a health index. To design the index, response signals from the structure are firstly acquired by condition monitoring technology and a Hankel matrix is constructed by using the response signals to describe state patterns of the VSS. Thereafter, a subspace analysis method, that is, principal component analysis (PCA), is performed to extract the condition subspace hidden in the Hankel matrix. From the subspace, pattern changes in dynamic structural properties are characterized. Further, a Grassmann manifold (GM) is formed by organizing a set of subspaces. The manifold is mapped to a reproducing kernel Hilbert space (RKHS), where support vector data description (SVDD) is used to model the manifold as a hypersphere. Finally, a health index is defined as the cosine of the angle between the hypersphere centers corresponding to the structural baseline state and the looseness state. The defined health index contains similarity information existing in the two structural states, so structural looseness states can be effectively identified. Moreover, the health index is derived by analysis of the global properties of subspace sets, which is different from traditional subspace analysis methods. The effectiveness of the health index for state assessment is validated by test data collected from a VSS subjected to different degrees of looseness. The results show that the health index is a very effective metric for detecting the occurrence and extension of structural looseness. Comparison results indicate that the defined index outperforms some existing state-of-the-art ones.

Quantum annealing with all-to-all connected nonlinear oscillators

PubMed Central

Puri, Shruti; Andersen, Christian Kraglund; Grimsmo, Arne L.; Blais, Alexandre

2017-01-01

Quantum annealing aims at solving combinatorial optimization problems mapped to Ising interactions between quantum spins. Here, with the objective of developing a noise-resilient annealer, we propose a paradigm for quantum annealing with a scalable network of two-photon-driven Kerr-nonlinear resonators. Each resonator encodes an Ising spin in a robust degenerate subspace formed by two coherent states of opposite phases. A fully connected optimization problem is mapped to local fields driving the resonators, which are connected with only local four-body interactions. We describe an adiabatic annealing protocol in this system and analyse its performance in the presence of photon loss. Numerical simulations indicate substantial resilience to this noise channel, leading to a high success probability for quantum annealing. Finally, we propose a realistic circuit QED implementation of this promising platform for implementing a large-scale quantum Ising machine. PMID:28593952

Analysis of a Delayed Delta Modulator.

DTIC Science & Technology

1983-05-01

parallels that of Janardhanan [10] for DPCM with matched integra- tion of stationary first-order Gauss-Markov input. In Subsection A the limiting...181, 1978. [10] JANARDHANAN , E., "Differential PCM -ystems", IEEE Trans. Conmmun., vol. Com-27, pp. 82-93, 1979. [111 KANTOROVICI, L.V. and KRYLOV, V.I

Degenerate SDEs with singular drift and applications to Heisenberg groups

NASA Astrophysics Data System (ADS)

Huang, Xing; Wang, Feng-Yu

2018-09-01

By using the ultracontractivity of a reference diffusion semigroup, Krylov's estimate is established for a class of degenerate SDEs with singular drifts, which leads to existence and pathwise uniqueness by means of Zvonkin's transformation. The main result is applied to singular SDEs on generalized Heisenberg groups.

Weak turbulence simulations with the Hermite-Fourier spectral method

NASA Astrophysics Data System (ADS)

Vencels, Juris; Delzanno, Gian Luca; Manzini, Gianmarco; Roytershteyn, Vadim; Markidis, Stefano

2015-11-01

Recently, a new (transform) method based on a Fourier-Hermite (FH) discretization of the Vlasov-Maxwell equations has been developed. The resulting set of moment equations is discretized implicitly in time with a Crank-Nicolson scheme and solved with a nonlinear Newton-Krylov technique. For periodic boundary conditions, this discretization delivers a scheme that conserves the total mass, momentum and energy of the system exactly. In this work, we apply the FH method to study a problem of Langmuir turbulence, where a low signal-to-noise ratio is important to follow the turbulent cascade and might require a lot of computational resources if studied with PIC. We simulate a weak (low density) electron beam moving in a Maxwellian plasma and subject to an instability that generates Langmuir waves and a weak turbulence field. We also discuss some optimization techniques to optimally select the Hermite basis in terms of its shift and scaling argument, and show that this technique improve the overall accuracy of the method. Finally, we discuss the applicability of the HF method for studying kinetic plasma turbulence. This work was funded by LDRD under the auspices of the NNSA of the U.S. by LANL under contract DE-AC52-06NA25396 and by EC through the EPiGRAM project (grant agreement no. 610598. epigram-project.eu).

A robust, efficient equidistribution 2D grid generation method

NASA Astrophysics Data System (ADS)

Chacon, Luis; Delzanno, Gian Luca; Finn, John; Chung, Jeojin; Lapenta, Giovanni

2007-11-01

We present a new cell-area equidistribution method for two- dimensional grid adaptation [1]. The method is able to satisfy the equidistribution constraint to arbitrary precision while optimizing desired grid properties (such as isotropy and smoothness). The method is based on the minimization of the grid smoothness integral, constrained to producing a given positive-definite cell volume distribution. The procedure gives rise to a single, non-linear scalar equation with no free-parameters. We solve this equation numerically with the Newton-Krylov technique. The ellipticity property of the linearized scalar equation allows multigrid preconditioning techniques to be effectively used. We demonstrate a solution exists and is unique. Therefore, once the solution is found, the adapted grid cannot be folded due to the positivity of the constraint on the cell volumes. We present several challenging tests to show that our new method produces optimal grids in which the constraint is satisfied numerically to arbitrary precision. We also compare the new method to the deformation method [2] and show that our new method produces better quality grids. [1] G.L. Delzanno, L. Chac'on, J.M. Finn, Y. Chung, G. Lapenta, A new, robust equidistribution method for two-dimensional grid generation, in preparation. [2] G. Liao and D. Anderson, A new approach to grid generation, Appl. Anal. 44, 285--297 (1992).

Constrained H1-regularization schemes for diffeomorphic image registration

PubMed Central

Mang, Andreas; Biros, George

2017-01-01

We propose regularization schemes for deformable registration and efficient algorithms for their numerical approximation. We treat image registration as a variational optimal control problem. The deformation map is parametrized by its velocity. Tikhonov regularization ensures well-posedness. Our scheme augments standard smoothness regularization operators based on H1- and H2-seminorms with a constraint on the divergence of the velocity field, which resembles variational formulations for Stokes incompressible flows. In our formulation, we invert for a stationary velocity field and a mass source map. This allows us to explicitly control the compressibility of the deformation map and by that the determinant of the deformation gradient. We also introduce a new regularization scheme that allows us to control shear. We use a globalized, preconditioned, matrix-free, reduced space (Gauss–)Newton–Krylov scheme for numerical optimization. We exploit variable elimination techniques to reduce the number of unknowns of our system; we only iterate on the reduced space of the velocity field. Our current implementation is limited to the two-dimensional case. The numerical experiments demonstrate that we can control the determinant of the deformation gradient without compromising registration quality. This additional control allows us to avoid oversmoothing of the deformation map. We also demonstrate that we can promote or penalize shear whilst controlling the determinant of the deformation gradient. PMID:29075361

Density scaling for multiplets

NASA Astrophysics Data System (ADS)

Nagy, Á.

2011-02-01

Generalized Kohn-Sham equations are presented for lowest-lying multiplets. The way of treating non-integer particle numbers is coupled with an earlier method of the author. The fundamental quantity of the theory is the subspace density. The Kohn-Sham equations are similar to the conventional Kohn-Sham equations. The difference is that the subspace density is used instead of the density and the Kohn-Sham potential is different for different subspaces. The exchange-correlation functional is studied using density scaling. It is shown that there exists a value of the scaling factor ζ for which the correlation energy disappears. Generalized OPM and Krieger-Li-Iafrate (KLI) methods incorporating correlation are presented. The ζKLI method, being as simple as the original KLI method, is proposed for multiplets.

Primary decomposition of zero-dimensional ideals over finite fields

NASA Astrophysics Data System (ADS)

Gao, Shuhong; Wan, Daqing; Wang, Mingsheng

2009-03-01

A new algorithm is presented for computing primary decomposition of zero-dimensional ideals over finite fields. Like Berlekamp's algorithm for univariate polynomials, the new method is based on the invariant subspace of the Frobenius map acting on the quotient algebra. The dimension of the invariant subspace equals the number of primary components, and a basis of the invariant subspace yields a complete decomposition. Unlike previous approaches for decomposing multivariate polynomial systems, the new method does not need primality testing nor any generic projection, instead it reduces the general decomposition problem directly to root finding of univariate polynomials over the ground field. Also, it is shown how Groebner basis structure can be used to get partial primary decomposition without any root finding.

Switching LPV Control for High Performance Tactical Aircraft

NASA Technical Reports Server (NTRS)

Lu, Bei; Wu, Fen; Kim, SungWan

2004-01-01

This paper examines a switching Linear Parameter-Varying (LPV) control approach to determine if it is practical to use for flight control designs within a wide angle of attack region. The approach is based on multiple parameter-dependent Lyapunov functions. The full parameter space is partitioned into overlapping subspaces and a family of LPV controllers are designed, each suitable for a specific parameter subspace. The hysteresis switching logic is used to accomplish the transition among different parameter subspaces. The proposed switching LPV control scheme is applied to an F-16 aircraft model with different actuator dynamics in low and high angle of attack regions. The nonlinear simulation results show that the aircraft performs well when switching among different angle of attack regions.

Verification Techniques for Parameter Selection and Bayesian Model Calibration Presented for an HIV Model

NASA Astrophysics Data System (ADS)

Wentworth, Mami Tonoe

Uncertainty quantification plays an important role when making predictive estimates of model responses. In this context, uncertainty quantification is defined as quantifying and reducing uncertainties, and the objective is to quantify uncertainties in parameter, model and measurements, and propagate the uncertainties through the model, so that one can make a predictive estimate with quantified uncertainties. Two of the aspects of uncertainty quantification that must be performed prior to propagating uncertainties are model calibration and parameter selection. There are several efficient techniques for these processes; however, the accuracy of these methods are often not verified. This is the motivation for our work, and in this dissertation, we present and illustrate verification frameworks for model calibration and parameter selection in the context of biological and physical models. First, HIV models, developed and improved by [2, 3, 8], describe the viral infection dynamics of an HIV disease. These are also used to make predictive estimates of viral loads and T-cell counts and to construct an optimal control for drug therapy. Estimating input parameters is an essential step prior to uncertainty quantification. However, not all the parameters are identifiable, implying that they cannot be uniquely determined by the observations. These unidentifiable parameters can be partially removed by performing parameter selection, a process in which parameters that have minimal impacts on the model response are determined. We provide verification techniques for Bayesian model calibration and parameter selection for an HIV model. As an example of a physical model, we employ a heat model with experimental measurements presented in [10]. A steady-state heat model represents a prototypical behavior for heat conduction and diffusion process involved in a thermal-hydraulic model, which is a part of nuclear reactor models. We employ this simple heat model to illustrate verification techniques for model calibration. For Bayesian model calibration, we employ adaptive Metropolis algorithms to construct densities for input parameters in the heat model and the HIV model. To quantify the uncertainty in the parameters, we employ two MCMC algorithms: Delayed Rejection Adaptive Metropolis (DRAM) [33] and Differential Evolution Adaptive Metropolis (DREAM) [66, 68]. The densities obtained using these methods are compared to those obtained through the direct numerical evaluation of the Bayes' formula. We also combine uncertainties in input parameters and measurement errors to construct predictive estimates for a model response. A significant emphasis is on the development and illustration of techniques to verify the accuracy of sampling-based Metropolis algorithms. We verify the accuracy of DRAM and DREAM by comparing chains, densities and correlations obtained using DRAM, DREAM and the direct evaluation of Bayes formula. We also perform similar analysis for credible and prediction intervals for responses. Once the parameters are estimated, we employ energy statistics test [63, 64] to compare the densities obtained by different methods for the HIV model. The energy statistics are used to test the equality of distributions. We also consider parameter selection and verification techniques for models having one or more parameters that are noninfluential in the sense that they minimally impact model outputs. We illustrate these techniques for a dynamic HIV model but note that the parameter selection and verification framework is applicable to a wide range of biological and physical models. To accommodate the nonlinear input to output relations, which are typical for such models, we focus on global sensitivity analysis techniques, including those based on partial correlations, Sobol indices based on second-order model representations, and Morris indices, as well as a parameter selection technique based on standard errors. A significant objective is to provide verification strategies to assess the accuracy of those techniques, which we illustrate in the context of the HIV model. Finally, we examine active subspace methods as an alternative to parameter subset selection techniques. The objective of active subspace methods is to determine the subspace of inputs that most strongly affect the model response, and to reduce the dimension of the input space. The major difference between active subspace methods and parameter selection techniques is that parameter selection identifies influential parameters whereas subspace selection identifies a linear combination of parameters that impacts the model responses significantly. We employ active subspace methods discussed in [22] for the HIV model and present a verification that the active subspace successfully reduces the input dimensions.

Airfoil optimization for unsteady flows with application to high-lift noise reduction

NASA Astrophysics Data System (ADS)

Rumpfkeil, Markus Peer

The use of steady-state aerodynamic optimization methods in the computational fluid dynamic (CFD) community is fairly well established. In particular, the use of adjoint methods has proven to be very beneficial because their cost is independent of the number of design variables. The application of numerical optimization to airframe-generated noise, however, has not received as much attention, but with the significant quieting of modern engines, airframe noise now competes with engine noise. Optimal control techniques for unsteady flows are needed in order to be able to reduce airframe-generated noise. In this thesis, a general framework is formulated to calculate the gradient of a cost function in a nonlinear unsteady flow environment via the discrete adjoint method. The unsteady optimization algorithm developed in this work utilizes a Newton-Krylov approach since the gradient-based optimizer uses the quasi-Newton method BFGS, Newton's method is applied to the nonlinear flow problem, GMRES is used to solve the resulting linear problem inexactly, and last but not least the linear adjoint problem is solved using Bi-CGSTAB. The flow is governed by the unsteady two-dimensional compressible Navier-Stokes equations in conjunction with a one-equation turbulence model, which are discretized using structured grids and a finite difference approach. The effectiveness of the unsteady optimization algorithm is demonstrated by applying it to several problems of interest including shocktubes, pulses in converging-diverging nozzles, rotating cylinders, transonic buffeting, and an unsteady trailing-edge flow. In order to address radiated far-field noise, an acoustic wave propagation program based on the Ffowcs Williams and Hawkings (FW-H) formulation is implemented and validated. The general framework is then used to derive the adjoint equations for a novel hybrid URANS/FW-H optimization algorithm in order to be able to optimize the shape of airfoils based on their calculated far-field pressure fluctuations. Validation and application results for this novel hybrid URANS/FW-H optimization algorithm show that it is possible to optimize the shape of an airfoil in an unsteady flow environment to minimize its radiated far-field noise while maintaining good aerodynamic performance.

Detecting and characterizing coal mine related seismicity in the Western U.S. using subspace methods

NASA Astrophysics Data System (ADS)

Chambers, Derrick J. A.; Koper, Keith D.; Pankow, Kristine L.; McCarter, Michael K.

2015-11-01

We present an approach for subspace detection of small seismic events that includes methods for estimating magnitudes and associating detections from multiple stations into unique events. The process is used to identify mining related seismicity from a surface coal mine and an underground coal mining district, both located in the Western U.S. Using a blasting log and a locally derived seismic catalogue as ground truth, we assess detector performance in terms of verified detections, false positives and failed detections. We are able to correctly identify over 95 per cent of the surface coal mine blasts and about 33 per cent of the events from the underground mining district, while keeping the number of potential false positives relatively low by requiring all detections to occur on two stations. We find that most of the potential false detections for the underground coal district are genuine events missed by the local seismic network, demonstrating the usefulness of regional subspace detectors in augmenting local catalogues. We note a trade-off in detection performance between stations at smaller source-receiver distances, which have increased signal-to-noise ratio, and stations at larger distances, which have greater waveform similarity. We also explore the increased detection capabilities of a single higher dimension subspace detector, compared to multiple lower dimension detectors, in identifying events that can be described as linear combinations of training events. We find, in our data set, that such an advantage can be significant, justifying the use of a subspace detection scheme over conventional correlation methods.

Hyperspectral Super-Resolution of Locally Low Rank Images From Complementary Multisource Data.

PubMed

Veganzones, Miguel A; Simoes, Miguel; Licciardi, Giorgio; Yokoya, Naoto; Bioucas-Dias, Jose M; Chanussot, Jocelyn

2016-01-01

Remote sensing hyperspectral images (HSIs) are quite often low rank, in the sense that the data belong to a low dimensional subspace/manifold. This has been recently exploited for the fusion of low spatial resolution HSI with high spatial resolution multispectral images in order to obtain super-resolution HSI. Most approaches adopt an unmixing or a matrix factorization perspective. The derived methods have led to state-of-the-art results when the spectral information lies in a low-dimensional subspace/manifold. However, if the subspace/manifold dimensionality spanned by the complete data set is large, i.e., larger than the number of multispectral bands, the performance of these methods mainly decreases because the underlying sparse regression problem is severely ill-posed. In this paper, we propose a local approach to cope with this difficulty. Fundamentally, we exploit the fact that real world HSIs are locally low rank, that is, pixels acquired from a given spatial neighborhood span a very low-dimensional subspace/manifold, i.e., lower or equal than the number of multispectral bands. Thus, we propose to partition the image into patches and solve the data fusion problem independently for each patch. This way, in each patch the subspace/manifold dimensionality is low enough, such that the problem is not ill-posed anymore. We propose two alternative approaches to define the hyperspectral super-resolution through local dictionary learning using endmember induction algorithms. We also explore two alternatives to define the local regions, using sliding windows and binary partition trees. The effectiveness of the proposed approaches is illustrated with synthetic and semi real data.

Effects of spatial curvature and anisotropy on the asymptotic regimes in Einstein-Gauss-Bonnet gravity

NASA Astrophysics Data System (ADS)

Pavluchenko, Sergey A.; Toporensky, Alexey

2018-05-01

In this paper we address two important issues which could affect reaching the exponential and Kasner asymptotes in Einstein-Gauss-Bonnet cosmologies—spatial curvature and anisotropy in both three- and extra-dimensional subspaces. In the first part of the paper we consider the cosmological evolution of spaces that are the product of two isotropic and spatially curved subspaces. It is demonstrated that the dynamics in D=2 (the number of extra dimensions) and D ≥ 3 is different. It was already known that for the Λ -term case there is a regime with "stabilization" of extra dimensions, where the expansion rate of the three-dimensional subspace as well as the scale factor (the "size") associated with extra dimensions reaches a constant value. This regime is achieved if the curvature of the extra dimensions is negative. We demonstrate that it takes place only if the number of extra dimensions is D ≥ 3. In the second part of the paper we study the influence of the initial anisotropy. Our study reveals that the transition from Gauss-Bonnet Kasner regime to anisotropic exponential expansion (with three expanding and contracting extra dimensions) is stable with respect to breaking the symmetry within both three- and extra-dimensional subspaces. However, the details of the dynamics in D=2 and D ≥ 3 are different. Combining the two described effects allows us to construct a scenario in D ≥ 3, where isotropization of outer and inner subspaces is reached dynamically from rather general anisotropic initial conditions.

Principal component and clustering analysis on molecular dynamics data of the ribosomal L11·23S subdomain.

PubMed

Wolf, Antje; Kirschner, Karl N

2013-02-01

With improvements in computer speed and algorithm efficiency, MD simulations are sampling larger amounts of molecular and biomolecular conformations. Being able to qualitatively and quantitatively sift these conformations into meaningful groups is a difficult and important task, especially when considering the structure-activity paradigm. Here we present a study that combines two popular techniques, principal component (PC) analysis and clustering, for revealing major conformational changes that occur in molecular dynamics (MD) simulations. Specifically, we explored how clustering different PC subspaces effects the resulting clusters versus clustering the complete trajectory data. As a case example, we used the trajectory data from an explicitly solvated simulation of a bacteria's L11·23S ribosomal subdomain, which is a target of thiopeptide antibiotics. Clustering was performed, using K-means and average-linkage algorithms, on data involving the first two to the first five PC subspace dimensions. For the average-linkage algorithm we found that data-point membership, cluster shape, and cluster size depended on the selected PC subspace data. In contrast, K-means provided very consistent results regardless of the selected subspace. Since we present results on a single model system, generalization concerning the clustering of different PC subspaces of other molecular systems is currently premature. However, our hope is that this study illustrates a) the complexities in selecting the appropriate clustering algorithm, b) the complexities in interpreting and validating their results, and c) by combining PC analysis with subsequent clustering valuable dynamic and conformational information can be obtained.

Sparse PCA with Oracle Property.

PubMed

Gu, Quanquan; Wang, Zhaoran; Liu, Han

In this paper, we study the estimation of the k -dimensional sparse principal subspace of covariance matrix Σ in the high-dimensional setting. We aim to recover the oracle principal subspace solution, i.e., the principal subspace estimator obtained assuming the true support is known a priori. To this end, we propose a family of estimators based on the semidefinite relaxation of sparse PCA with novel regularizations. In particular, under a weak assumption on the magnitude of the population projection matrix, one estimator within this family exactly recovers the true support with high probability, has exact rank- k , and attains a [Formula: see text] statistical rate of convergence with s being the subspace sparsity level and n the sample size. Compared to existing support recovery results for sparse PCA, our approach does not hinge on the spiked covariance model or the limited correlation condition. As a complement to the first estimator that enjoys the oracle property, we prove that, another estimator within the family achieves a sharper statistical rate of convergence than the standard semidefinite relaxation of sparse PCA, even when the previous assumption on the magnitude of the projection matrix is violated. We validate the theoretical results by numerical experiments on synthetic datasets.

Sparse PCA with Oracle Property

PubMed Central

Gu, Quanquan; Wang, Zhaoran; Liu, Han

2014-01-01

In this paper, we study the estimation of the k-dimensional sparse principal subspace of covariance matrix Σ in the high-dimensional setting. We aim to recover the oracle principal subspace solution, i.e., the principal subspace estimator obtained assuming the true support is known a priori. To this end, we propose a family of estimators based on the semidefinite relaxation of sparse PCA with novel regularizations. In particular, under a weak assumption on the magnitude of the population projection matrix, one estimator within this family exactly recovers the true support with high probability, has exact rank-k, and attains a s/n statistical rate of convergence with s being the subspace sparsity level and n the sample size. Compared to existing support recovery results for sparse PCA, our approach does not hinge on the spiked covariance model or the limited correlation condition. As a complement to the first estimator that enjoys the oracle property, we prove that, another estimator within the family achieves a sharper statistical rate of convergence than the standard semidefinite relaxation of sparse PCA, even when the previous assumption on the magnitude of the projection matrix is violated. We validate the theoretical results by numerical experiments on synthetic datasets. PMID:25684971

Polarimetric subspace target detector for SAR data based on the Huynen dihedral model

NASA Astrophysics Data System (ADS)

Larson, Victor J.; Novak, Leslie M.

1995-06-01

Two new polarimetric subspace target detectors are developed based on a dihedral signal model for bright peaks within a spatially extended target signature. The first is a coherent dihedral target detector based on the exact Huynen model for a dihedral. The second is a noncoherent dihedral target detector based on the Huynen model with an extra unknown phase term. Expressions for these polarimetric subspace target detectors are developed for both additive Gaussian clutter and more general additive spherically invariant random vector clutter including the K-distribution. For the case of Gaussian clutter with unknown clutter parameters, constant false alarm rate implementations of these polarimetric subspace target detectors are developed. The performance of these dihedral detectors is demonstrated with real millimeter-wave fully polarimetric SAR data. The coherent dihedral detector which is developed with a more accurate description of a dihedral offers no performance advantage over the noncoherent dihedral detector which is computationally more attractive. The dihedral detectors do a better job of separating a set of tactical military targets from natural clutter compared to a detector that assumes no knowledge about the polarimetric structure of the target signal.

On spectral synthesis on element-wise compact Abelian groups

NASA Astrophysics Data System (ADS)

Platonov, S. S.

2015-08-01

Let G be an arbitrary locally compact Abelian group and let C(G) be the space of all continuous complex-valued functions on G. A closed linear subspace \\mathscr H\\subseteq C(G) is referred to as an invariant subspace if it is invariant with respect to the shifts τ_y\\colon f(x)\\mapsto f(xy), y\\in G. By definition, an invariant subspace \\mathscr H\\subseteq C(G) admits strict spectral synthesis if \\mathscr H coincides with the closure in C(G) of the linear span of all characters of G belonging to \\mathscr H. We say that strict spectral synthesis holds in the space C(G) on G if every invariant subspace \\mathscr H\\subseteq C(G) admits strict spectral synthesis. An element x of a topological group G is said to be compact if x is contained in some compact subgroup of G. A group G is said to be element-wise compact if all elements of G are compact. The main result of the paper is the proof of the fact that strict spectral synthesis holds in C(G) for a locally compact Abelian group G if and only if G is element-wise compact. Bibliography: 14 titles.

N-Screen Aware Multicriteria Hybrid Recommender System Using Weight Based Subspace Clustering

PubMed Central

Ullah, Farman; Lee, Sungchang

2014-01-01

This paper presents a recommender system for N-screen services in which users have multiple devices with different capabilities. In N-screen services, a user can use various devices in different locations and time and can change a device while the service is running. N-screen aware recommendation seeks to improve the user experience with recommended content by considering the user N-screen device attributes such as screen resolution, media codec, remaining battery time, and access network and the user temporal usage pattern information that are not considered in existing recommender systems. For N-screen aware recommendation support, this work introduces a user device profile collaboration agent, manager, and N-screen control server to acquire and manage the user N-screen devices profile. Furthermore, a multicriteria hybrid framework is suggested that incorporates the N-screen devices information with user preferences and demographics. In addition, we propose an individual feature and subspace weight based clustering (IFSWC) to assign different weights to each subspace and each feature within a subspace in the hybrid framework. The proposed system improves the accuracy, precision, scalability, sparsity, and cold start issues. The simulation results demonstrate the effectiveness and prove the aforementioned statements. PMID:25152921

Synthetic Modeling of Autonomous Learning with a Chaotic Neural Network

NASA Astrophysics Data System (ADS)

Funabashi, Masatoshi

We investigate the possible role of intermittent chaotic dynamics called chaotic itinerancy, in interaction with nonsupervised learnings that reinforce and weaken the neural connection depending on the dynamics itself. We first performed hierarchical stability analysis of the Chaotic Neural Network model (CNN) according to the structure of invariant subspaces. Irregular transition between two attractor ruins with positive maximum Lyapunov exponent was triggered by the blowout bifurcation of the attractor spaces, and was associated with riddled basins structure. We secondly modeled two autonomous learnings, Hebbian learning and spike-timing-dependent plasticity (STDP) rule, and simulated the effect on the chaotic itinerancy state of CNN. Hebbian learning increased the residence time on attractor ruins, and produced novel attractors in the minimum higher-dimensional subspace. It also augmented the neuronal synchrony and established the uniform modularity in chaotic itinerancy. STDP rule reduced the residence time on attractor ruins, and brought a wide range of periodicity in emerged attractors, possibly including strange attractors. Both learning rules selectively destroyed and preserved the specific invariant subspaces, depending on the neuron synchrony of the subspace where the orbits are situated. Computational rationale of the autonomous learning is discussed in connectionist perspective.

Wavelet Analyses of F/A-18 Aeroelastic and Aeroservoelastic Flight Test Data

NASA Technical Reports Server (NTRS)

Brenner, Martin J.

1997-01-01

Time-frequency signal representations combined with subspace identification methods were used to analyze aeroelastic flight data from the F/A-18 Systems Research Aircraft (SRA) and aeroservoelastic data from the F/A-18 High Alpha Research Vehicle (HARV). The F/A-18 SRA data were produced from a wingtip excitation system that generated linear frequency chirps and logarithmic sweeps. HARV data were acquired from digital Schroeder-phased and sinc pulse excitation signals to actuator commands. Nondilated continuous Morlet wavelets implemented as a filter bank were chosen for the time-frequency analysis to eliminate phase distortion as it occurs with sliding window discrete Fourier transform techniques. Wavelet coefficients were filtered to reduce effects of noise and nonlinear distortions identically in all inputs and outputs. Cleaned reconstructed time domain signals were used to compute improved transfer functions. Time and frequency domain subspace identification methods were applied to enhanced reconstructed time domain data and improved transfer functions, respectively. Time domain subspace performed poorly, even with the enhanced data, compared with frequency domain techniques. A frequency domain subspace method is shown to produce better results with the data processed using the Morlet time-frequency technique.

Comparative factor analysis models for an empirical study of EEG data, II: A data-guided resolution of the rotation indeterminacy.

PubMed

Rogers, L J; Douglas, R R

1984-02-01

In this paper (the second in a series), we consider a (generic) pair of datasets, which have been analyzed by the techniques of the previous paper. Thus, their "stable subspaces" have been established by comparative factor analysis. The pair of datasets must satisfy two confirmable conditions. The first is the "Inclusion Condition," which requires that the stable subspace of one of the datasets is nearly identical to a subspace of the other dataset's stable subspace. On the basis of that, we have assumed the pair to have similar generating signals, with stochastically independent generators. The second verifiable condition is that the (presumed same) generating signals have distinct ratios of variances for the two datasets. Under these conditions a small elaboration of some elementary linear algebra reduces the rotation problem to several eigenvalue-eigenvector problems. Finally, we emphasize that an analysis of each dataset by the method of Douglas and Rogers (1983) is an essential prerequisite for the useful application of the techniques in this paper. Nonempirical methods of estimating the number of factors simply will not suffice, as confirmed by simulations reported in the previous paper.

Anomaly Detection in Moving-Camera Video Sequences Using Principal Subspace Analysis

DOE PAGES

Thomaz, Lucas A.; Jardim, Eric; da Silva, Allan F.; ...

2017-10-16

This study presents a family of algorithms based on sparse decompositions that detect anomalies in video sequences obtained from slow moving cameras. These algorithms start by computing the union of subspaces that best represents all the frames from a reference (anomaly free) video as a low-rank projection plus a sparse residue. Then, they perform a low-rank representation of a target (possibly anomalous) video by taking advantage of both the union of subspaces and the sparse residue computed from the reference video. Such algorithms provide good detection results while at the same time obviating the need for previous video synchronization. However,more » this is obtained at the cost of a large computational complexity, which hinders their applicability. Another contribution of this paper approaches this problem by using intrinsic properties of the obtained data representation in order to restrict the search space to the most relevant subspaces, providing computational complexity gains of up to two orders of magnitude. The developed algorithms are shown to cope well with videos acquired in challenging scenarios, as verified by the analysis of 59 videos from the VDAO database that comprises videos with abandoned objects in a cluttered industrial scenario.« less

Anomaly Detection in Moving-Camera Video Sequences Using Principal Subspace Analysis

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

Thomaz, Lucas A.; Jardim, Eric; da Silva, Allan F.

This study presents a family of algorithms based on sparse decompositions that detect anomalies in video sequences obtained from slow moving cameras. These algorithms start by computing the union of subspaces that best represents all the frames from a reference (anomaly free) video as a low-rank projection plus a sparse residue. Then, they perform a low-rank representation of a target (possibly anomalous) video by taking advantage of both the union of subspaces and the sparse residue computed from the reference video. Such algorithms provide good detection results while at the same time obviating the need for previous video synchronization. However,more » this is obtained at the cost of a large computational complexity, which hinders their applicability. Another contribution of this paper approaches this problem by using intrinsic properties of the obtained data representation in order to restrict the search space to the most relevant subspaces, providing computational complexity gains of up to two orders of magnitude. The developed algorithms are shown to cope well with videos acquired in challenging scenarios, as verified by the analysis of 59 videos from the VDAO database that comprises videos with abandoned objects in a cluttered industrial scenario.« less

Constrained Low-Rank Learning Using Least Squares-Based Regularization.

PubMed

Li, Ping; Yu, Jun; Wang, Meng; Zhang, Luming; Cai, Deng; Li, Xuelong

2017-12-01

Low-rank learning has attracted much attention recently due to its efficacy in a rich variety of real-world tasks, e.g., subspace segmentation and image categorization. Most low-rank methods are incapable of capturing low-dimensional subspace for supervised learning tasks, e.g., classification and regression. This paper aims to learn both the discriminant low-rank representation (LRR) and the robust projecting subspace in a supervised manner. To achieve this goal, we cast the problem into a constrained rank minimization framework by adopting the least squares regularization. Naturally, the data label structure tends to resemble that of the corresponding low-dimensional representation, which is derived from the robust subspace projection of clean data by low-rank learning. Moreover, the low-dimensional representation of original data can be paired with some informative structure by imposing an appropriate constraint, e.g., Laplacian regularizer. Therefore, we propose a novel constrained LRR method. The objective function is formulated as a constrained nuclear norm minimization problem, which can be solved by the inexact augmented Lagrange multiplier algorithm. Extensive experiments on image classification, human pose estimation, and robust face recovery have confirmed the superiority of our method.

Slope angle estimation method based on sparse subspace clustering for probe safe landing

NASA Astrophysics Data System (ADS)

Li, Haibo; Cao, Yunfeng; Ding, Meng; Zhuang, Likui

2018-06-01

To avoid planetary probes landing on steep slopes where they may slip or tip over, a new method of slope angle estimation based on sparse subspace clustering is proposed to improve accuracy. First, a coordinate system is defined and established to describe the measured data of light detection and ranging (LIDAR). Second, this data is processed and expressed with a sparse representation. Third, on this basis, the data is made to cluster to determine which subspace it belongs to. Fourth, eliminating outliers in subspace, the correct data points are used for the fitting planes. Finally, the vectors normal to the planes are obtained using the plane model, and the angle between the normal vectors is obtained through calculation. Based on the geometric relationship, this angle is equal in value to the slope angle. The proposed method was tested in a series of experiments. The experimental results show that this method can effectively estimate the slope angle, can overcome the influence of noise and obtain an exact slope angle. Compared with other methods, this method can minimize the measuring errors and further improve the estimation accuracy of the slope angle.

Measurement of damping and temperature: Precision bounds in Gaussian dissipative channels

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

Monras, Alex; Illuminati, Fabrizio

2011-01-15

We present a comprehensive analysis of the performance of different classes of Gaussian states in the estimation of Gaussian phase-insensitive dissipative channels. In particular, we investigate the optimal estimation of the damping constant and reservoir temperature. We show that, for two-mode squeezed vacuum probe states, the quantum-limited accuracy of both parameters can be achieved simultaneously. Moreover, we show that for both parameters two-mode squeezed vacuum states are more efficient than coherent, thermal, or single-mode squeezed states. This suggests that at high-energy regimes, two-mode squeezed vacuum states are optimal within the Gaussian setup. This optimality result indicates a stronger form ofmore » compatibility for the estimation of the two parameters. Indeed, not only the minimum variance can be achieved at fixed probe states, but also the optimal state is common to both parameters. Additionally, we explore numerically the performance of non-Gaussian states for particular parameter values to find that maximally entangled states within d-dimensional cutoff subspaces (d{<=}6) perform better than any randomly sampled states with similar energy. However, we also find that states with very similar performance and energy exist with much less entanglement than the maximally entangled ones.« less

Expedited Holonomic Quantum Computation via Net Zero-Energy-Cost Control in Decoherence-Free Subspace.

PubMed

Pyshkin, P V; Luo, Da-Wei; Jing, Jun; You, J Q; Wu, Lian-Ao

2016-11-25

Holonomic quantum computation (HQC) may not show its full potential in quantum speedup due to the prerequisite of a long coherent runtime imposed by the adiabatic condition. Here we show that the conventional HQC can be dramatically accelerated by using external control fields, of which the effectiveness is exclusively determined by the integral of the control fields in the time domain. This control scheme can be realized with net zero energy cost and it is fault-tolerant against fluctuation and noise, significantly relaxing the experimental constraints. We demonstrate how to realize the scheme via decoherence-free subspaces. In this way we unify quantum robustness merits of this fault-tolerant control scheme, the conventional HQC and decoherence-free subspace, and propose an expedited holonomic quantum computation protocol.

Expedited Holonomic Quantum Computation via Net Zero-Energy-Cost Control in Decoherence-Free Subspace

PubMed Central

Pyshkin, P. V.; Luo, Da-Wei; Jing, Jun; You, J. Q.; Wu, Lian-Ao

2016-01-01

Holonomic quantum computation (HQC) may not show its full potential in quantum speedup due to the prerequisite of a long coherent runtime imposed by the adiabatic condition. Here we show that the conventional HQC can be dramatically accelerated by using external control fields, of which the effectiveness is exclusively determined by the integral of the control fields in the time domain. This control scheme can be realized with net zero energy cost and it is fault-tolerant against fluctuation and noise, significantly relaxing the experimental constraints. We demonstrate how to realize the scheme via decoherence-free subspaces. In this way we unify quantum robustness merits of this fault-tolerant control scheme, the conventional HQC and decoherence-free subspace, and propose an expedited holonomic quantum computation protocol. PMID:27886234

A sub-space greedy search method for efficient Bayesian Network inference.

PubMed

Zhang, Qing; Cao, Yong; Li, Yong; Zhu, Yanming; Sun, Samuel S M; Guo, Dianjing

2011-09-01

Bayesian network (BN) has been successfully used to infer the regulatory relationships of genes from microarray dataset. However, one major limitation of BN approach is the computational cost because the calculation time grows more than exponentially with the dimension of the dataset. In this paper, we propose a sub-space greedy search method for efficient Bayesian Network inference. Particularly, this method limits the greedy search space by only selecting gene pairs with higher partial correlation coefficients. Using both synthetic and real data, we demonstrate that the proposed method achieved comparable results with standard greedy search method yet saved ∼50% of the computational time. We believe that sub-space search method can be widely used for efficient BN inference in systems biology. Copyright © 2011 Elsevier Ltd. All rights reserved.

Geometrical eigen-subspace framework based molecular conformation representation for efficient structure recognition and comparison

NASA Astrophysics Data System (ADS)

Li, Xiao-Tian; Yang, Xiao-Bao; Zhao, Yu-Jun

2017-04-01

We have developed an extended distance matrix approach to study the molecular geometric configuration through spectral decomposition. It is shown that the positions of all atoms in the eigen-space can be specified precisely by their eigen-coordinates, while the refined atomic eigen-subspace projection array adopted in our approach is demonstrated to be a competent invariant in structure comparison. Furthermore, a visual eigen-subspace projection function (EPF) is derived to characterize the surrounding configuration of an atom naturally. A complete set of atomic EPFs constitute an intrinsic representation of molecular conformation, based on which the interatomic EPF distance and intermolecular EPF distance can be reasonably defined. Exemplified with a few cases, the intermolecular EPF distance shows exceptional rationality and efficiency in structure recognition and comparison.

Exploring the Tomlin-Varadarajan quantum constraints in U (1 )3 loop quantum gravity: Solutions and the Minkowski theorem

NASA Astrophysics Data System (ADS)

Lewandowski, Jerzy; Lin, Chun-Yen

2017-03-01

We explicitly solved the anomaly-free quantum constraints proposed by Tomlin and Varadarajan for the weak Euclidean model of canonical loop quantum gravity, in a large subspace of the model's kinematic Hilbert space, which is the space of the charge network states. In doing so, we first identified the subspace on which each of the constraints acts convergingly, and then by explicitly evaluating such actions we found the complete set of the solutions in the identified subspace. We showed that the space of solutions consists of two classes of states, with the first class having a property that involves the condition known from the Minkowski theorem on polyhedra, and the second class satisfying a weaker form of the spatial diffeomorphism invariance.

Experimental creation of quantum Zeno subspaces by repeated multi-spin projections in diamond

NASA Astrophysics Data System (ADS)

Kalb, N.; Cramer, J.; Twitchen, D. J.; Markham, M.; Hanson, R.; Taminiau, T. H.

2016-10-01

Repeated observations inhibit the coherent evolution of quantum states through the quantum Zeno effect. In multi-qubit systems this effect provides opportunities to control complex quantum states. Here, we experimentally demonstrate that repeatedly projecting joint observables of multiple spins creates quantum Zeno subspaces and simultaneously suppresses the dephasing caused by a quasi-static environment. We encode up to two logical qubits in these subspaces and show that the enhancement of the dephasing time with increasing number of projections follows a scaling law that is independent of the number of spins involved. These results provide experimental insight into the interplay between frequent multi-spin measurements and slowly varying noise and pave the way for tailoring the dynamics of multi-qubit systems through repeated projections.

GRIZZLY

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

2012-12-17

Grizzly is a simulation tool for assessing the effects of age-related degradation on systems, structures, and components of nuclear power plants. Grizzly is built on the MOOSE framework, and uses a Jacobian-free Newton Krylov method to obtain solutions to tightly coupled thermo-mechanical simulations. Grizzly runs on a wide range of hardware, from a single processor to massively parallel machines.

Fully-Implicit Orthogonal Reconstructed Discontinuous Galerkin for Fluid Dynamics with Phase Change

DOE PAGES

Nourgaliev, R.; Luo, H.; Weston, B.; ...

2015-11-11

A new reconstructed Discontinuous Galerkin (rDG) method, based on orthogonal basis/test functions, is developed for fluid flows on unstructured meshes. Orthogonality of basis functions is essential for enabling robust and efficient fully-implicit Newton-Krylov based time integration. The method is designed for generic partial differential equations, including transient, hyperbolic, parabolic or elliptic operators, which are attributed to many multiphysics problems. We demonstrate the method’s capabilities for solving compressible fluid-solid systems (in the low Mach number limit), with phase change (melting/solidification), as motivated by applications in Additive Manufacturing (AM). We focus on the method’s accuracy (in both space and time), as wellmore » as robustness and solvability of the system of linear equations involved in the linearization steps of Newton-based methods. The performance of the developed method is investigated for highly-stiff problems with melting/solidification, emphasizing the advantages from tight coupling of mass, momentum and energy conservation equations, as well as orthogonality of basis functions, which leads to better conditioning of the underlying (approximate) Jacobian matrices, and rapid convergence of the Krylov-based linear solver.« less

Constraint-Free Theories of Gravitation

NASA Technical Reports Server (NTRS)

Estabrook, Frank B.; Robinson, R. Steve; Wahlquist, Hugo D.

1998-01-01

Lovelock actions (more precisely, extended Gauss-Bonnet forms) when varied as Cartan forms on subspaces of higher dimensional flat Riemannian manifolds, generate well set, causal exterior differential systems. In particular, the Einstein- Hilbert action 4-form, varied on a 4 dimensional subspace of E(sub 10) yields a well set generalized theory of gravity having no constraints. Rcci-flat solutions are selected by initial conditions on a bounding 3-space.

Application of Subspace Detection to the 6 November 2011 M5.6 Prague, Oklahoma Aftershock Sequence

NASA Astrophysics Data System (ADS)

McMahon, N. D.; Benz, H.; Johnson, C. E.; Aster, R. C.; McNamara, D. E.

2015-12-01

Subspace detection is a powerful tool for the identification of small seismic events. Subspace detectors improve upon single-event matched filtering techniques by using multiple orthogonal waveform templates whose linear combinations characterize a range of observed signals from previously identified earthquakes. Subspace detectors running on multiple stations can significantly increasing the number of locatable events, lowering the catalog's magnitude of completeness and thus providing extraordinary detail on the kinematics of the aftershock process. The 6 November 2011 M5.6 earthquake near Prague, Oklahoma is the largest earthquake instrumentally recorded in Oklahoma history and the largest earthquake resultant from deep wastewater injection. A M4.8 foreshock on 5 November 2011 and the M5.6 mainshock triggered tens of thousands of detectable aftershocks along a 20 km splay of the Wilzetta Fault Zone known as the Meeker-Prague fault. In response to this unprecedented earthquake, 21 temporary seismic stations were deployed surrounding the seismic activity. We utilized a catalog of 767 previously located aftershocks to construct subspace detectors for the 21 temporary and 10 closest permanent seismic stations. Subspace detection identified more than 500,000 new arrival-time observations, which associated into more than 20,000 locatable earthquakes. The associated earthquakes were relocated using the Bayesloc multiple-event locator, resulting in ~7,000 earthquakes with hypocentral uncertainties of less than 500 m. The relocated seismicity provides unique insight into the spatio-temporal evolution of the aftershock sequence along the Wilzetta Fault Zone and its associated structures. We find that the crystalline basement and overlying sedimentary Arbuckle formation accommodate the majority of aftershocks. While we observe aftershocks along the entire 20 km length of the Meeker-Prague fault, the vast majority of earthquakes were confined to a 9 km wide by 9 km deep surface striking N54°E and dipping 83° to the northwest near the junction of the splay with the main Wilzetta fault structure. Relocated seismicity shows off-fault stress-related interaction to distances of 10 km or more from the mainshock, including clustered seismicity to the northwest and southeast of the mainshock.

Constraining neutron guide optimizations with phase-space considerations

NASA Astrophysics Data System (ADS)

Bertelsen, Mads; Lefmann, Kim

2016-09-01

We introduce a method named the Minimalist Principle that serves to reduce the parameter space for neutron guide optimization when the required beam divergence is limited. The reduced parameter space will restrict the optimization to guides with a minimal neutron intake that are still theoretically able to deliver the maximal possible performance. The geometrical constraints are derived using phase-space propagation from moderator to guide and from guide to sample, while assuming that the optimized guides will achieve perfect transport of the limited neutron intake. Guide systems optimized using these constraints are shown to provide performance close to guides optimized without any constraints, however the divergence received at the sample is limited to the desired interval, even when the neutron transport is not limited by the supermirrors used in the guide. As the constraints strongly limit the parameter space for the optimizer, two control parameters are introduced that can be used to adjust the selected subspace, effectively balancing between maximizing neutron transport and avoiding background from unnecessary neutrons. One parameter is needed to describe the expected focusing abilities of the guide to be optimized, going from perfectly focusing to no correlation between position and velocity. The second parameter controls neutron intake into the guide, so that one can select exactly how aggressively the background should be limited. We show examples of guides optimized using these constraints which demonstrates the higher signal to noise than conventional optimizations. Furthermore the parameter controlling neutron intake is explored which shows that the simulated optimal neutron intake is close to the analytically predicted, when assuming that the guide is dominated by multiple scattering events.

Model and controller reduction of large-scale structures based on projection methods

NASA Astrophysics Data System (ADS)

Gildin, Eduardo

The design of low-order controllers for high-order plants is a challenging problem theoretically as well as from a computational point of view. Frequently, robust controller design techniques result in high-order controllers. It is then interesting to achieve reduced-order models and controllers while maintaining robustness properties. Controller designed for large structures based on models obtained by finite element techniques yield large state-space dimensions. In this case, problems related to storage, accuracy and computational speed may arise. Thus, model reduction methods capable of addressing controller reduction problems are of primary importance to allow the practical applicability of advanced controller design methods for high-order systems. A challenging large-scale control problem that has emerged recently is the protection of civil structures, such as high-rise buildings and long-span bridges, from dynamic loadings such as earthquakes, high wind, heavy traffic, and deliberate attacks. Even though significant effort has been spent in the application of control theory to the design of civil structures in order increase their safety and reliability, several challenging issues are open problems for real-time implementation. This dissertation addresses with the development of methodologies for controller reduction for real-time implementation in seismic protection of civil structures using projection methods. Three classes of schemes are analyzed for model and controller reduction: nodal truncation, singular value decomposition methods and Krylov-based methods. A family of benchmark problems for structural control are used as a framework for a comparative study of model and controller reduction techniques. It is shown that classical model and controller reduction techniques, such as balanced truncation, modal truncation and moment matching by Krylov techniques, yield reduced-order controllers that do not guarantee stability of the closed-loop system, that is, the reduced-order controller implemented with the full-order plant. A controller reduction approach is proposed such that to guarantee closed-loop stability. It is based on the concept of dissipativity (or positivity) of linear dynamical systems. Utilizing passivity preserving model reduction together with dissipative-LQG controllers, effective low-order optimal controllers are obtained. Results are shown through simulations.

Two-Level Chebyshev Filter Based Complementary Subspace Method: Pushing the Envelope of Large-Scale Electronic Structure Calculations.

PubMed

Banerjee, Amartya S; Lin, Lin; Suryanarayana, Phanish; Yang, Chao; Pask, John E

2018-06-12

We describe a novel iterative strategy for Kohn-Sham density functional theory calculations aimed at large systems (>1,000 electrons), applicable to metals and insulators alike. In lieu of explicit diagonalization of the Kohn-Sham Hamiltonian on every self-consistent field (SCF) iteration, we employ a two-level Chebyshev polynomial filter based complementary subspace strategy to (1) compute a set of vectors that span the occupied subspace of the Hamiltonian; (2) reduce subspace diagonalization to just partially occupied states; and (3) obtain those states in an efficient, scalable manner via an inner Chebyshev filter iteration. By reducing the necessary computation to just partially occupied states and obtaining these through an inner Chebyshev iteration, our approach reduces the cost of large metallic calculations significantly, while eliminating subspace diagonalization for insulating systems altogether. We describe the implementation of the method within the framework of the discontinuous Galerkin (DG) electronic structure method and show that this results in a computational scheme that can effectively tackle bulk and nano systems containing tens of thousands of electrons, with chemical accuracy, within a few minutes or less of wall clock time per SCF iteration on large-scale computing platforms. We anticipate that our method will be instrumental in pushing the envelope of large-scale ab initio molecular dynamics. As a demonstration of this, we simulate a bulk silicon system containing 8,000 atoms at finite temperature, and obtain an average SCF step wall time of 51 s on 34,560 processors; thus allowing us to carry out 1.0 ps of ab initio molecular dynamics in approximately 28 h (of wall time).

Inverse regression-based uncertainty quantification algorithms for high-dimensional models: Theory and practice

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

Li, Weixuan; Lin, Guang; Li, Bing

2016-09-01

A well-known challenge in uncertainty quantification (UQ) is the "curse of dimensionality". However, many high-dimensional UQ problems are essentially low-dimensional, because the randomness of the quantity of interest (QoI) is caused only by uncertain parameters varying within a low-dimensional subspace, known as the sufficient dimension reduction (SDR) subspace. Motivated by this observation, we propose and demonstrate in this paper an inverse regression-based UQ approach (IRUQ) for high-dimensional problems. Specifically, we use an inverse regression procedure to estimate the SDR subspace and then convert the original problem to a low-dimensional one, which can be efficiently solved by building a response surface model such as a polynomial chaos expansion. The novelty and advantages of the proposed approach is seen in its computational efficiency and practicality. Comparing with Monte Carlo, the traditionally preferred approach for high-dimensional UQ, IRUQ with a comparable cost generally gives much more accurate solutions even for high-dimensional problems, and even when the dimension reduction is not exactly sufficient. Theoretically, IRUQ is proved to converge twice as fast as the approach it uses seeking the SDR subspace. For example, while a sliced inverse regression method converges to the SDR subspace at the rate ofmore » $$O(n^{-1/2})$$, the corresponding IRUQ converges at $$O(n^{-1})$$. IRUQ also provides several desired conveniences in practice. It is non-intrusive, requiring only a simulator to generate realizations of the QoI, and there is no need to compute the high-dimensional gradient of the QoI. Finally, error bars can be derived for the estimation results reported by IRUQ.« less

Multiple fault separation and detection by joint subspace learning for the health assessment of wind turbine gearboxes

NASA Astrophysics Data System (ADS)

Du, Zhaohui; Chen, Xuefeng; Zhang, Han; Zi, Yanyang; Yan, Ruqiang

2017-09-01

The gearbox of a wind turbine (WT) has dominant failure rates and highest downtime loss among all WT subsystems. Thus, gearbox health assessment for maintenance cost reduction is of paramount importance. The concurrence of multiple faults in gearbox components is a common phenomenon due to fault induction mechanism. This problem should be considered before planning to replace the components of the WT gearbox. Therefore, the key fault patterns should be reliably identified from noisy observation data for the development of an effective maintenance strategy. However, most of the existing studies focusing on multiple fault diagnosis always suffer from inappropriate division of fault information in order to satisfy various rigorous decomposition principles or statistical assumptions, such as the smooth envelope principle of ensemble empirical mode decomposition and the mutual independence assumption of independent component analysis. Thus, this paper presents a joint subspace learning-based multiple fault detection (JSL-MFD) technique to construct different subspaces adaptively for different fault patterns. Its main advantage is its capability to learn multiple fault subspaces directly from the observation signal itself. It can also sparsely concentrate the feature information into a few dominant subspace coefficients. Furthermore, it can eliminate noise by simply performing coefficient shrinkage operations. Consequently, multiple fault patterns are reliably identified by utilizing the maximum fault information criterion. The superiority of JSL-MFD in multiple fault separation and detection is comprehensively investigated and verified by the analysis of a data set of a 750 kW WT gearbox. Results show that JSL-MFD is superior to a state-of-the-art technique in detecting hidden fault patterns and enhancing detection accuracy.

Evolutionary-inspired probabilistic search for enhancing sampling of local minima in the protein energy surface

PubMed Central

2012-01-01

Background Despite computational challenges, elucidating conformations that a protein system assumes under physiologic conditions for the purpose of biological activity is a central problem in computational structural biology. While these conformations are associated with low energies in the energy surface that underlies the protein conformational space, few existing conformational search algorithms focus on explicitly sampling low-energy local minima in the protein energy surface. Methods This work proposes a novel probabilistic search framework, PLOW, that explicitly samples low-energy local minima in the protein energy surface. The framework combines algorithmic ingredients from evolutionary computation and computational structural biology to effectively explore the subspace of local minima. A greedy local search maps a conformation sampled in conformational space to a nearby local minimum. A perturbation move jumps out of a local minimum to obtain a new starting conformation for the greedy local search. The process repeats in an iterative fashion, resulting in a trajectory-based exploration of the subspace of local minima. Results and conclusions The analysis of PLOW's performance shows that, by navigating only the subspace of local minima, PLOW is able to sample conformations near a protein's native structure, either more effectively or as well as state-of-the-art methods that focus on reproducing the native structure for a protein system. Analysis of the actual subspace of local minima shows that PLOW samples this subspace more effectively that a naive sampling approach. Additional theoretical analysis reveals that the perturbation function employed by PLOW is key to its ability to sample a diverse set of low-energy conformations. This analysis also suggests directions for further research and novel applications for the proposed framework. PMID:22759582

Application of Earthquake Subspace Detectors at Kilauea and Mauna Loa Volcanoes, Hawai`i

NASA Astrophysics Data System (ADS)

Okubo, P.; Benz, H.; Yeck, W.

2016-12-01

Recent studies have demonstrated the capabilities of earthquake subspace detectors for detailed cataloging and tracking of seismicity in a number of regions and settings. We are exploring the application of subspace detectors at the United States Geological Survey's Hawaiian Volcano Observatory (HVO) to analyze seismicity at Kilauea and Mauna Loa volcanoes. Elevated levels of microseismicity and occasional swarms of earthquakes associated with active volcanism here present cataloging challenges due the sheer numbers of earthquakes and an intrinsically low signal-to-noise environment featuring oceanic microseism and volcanic tremor in the ambient seismic background. With high-quality continuous recording of seismic data at HVO, we apply subspace detectors (Harris and Dodge, 2011, Bull. Seismol. Soc. Am., doi: 10.1785/0120100103) during intervals of noteworthy seismicity. Waveform templates are drawn from Magnitude 2 and larger earthquakes within clusters of earthquakes cataloged in the HVO seismic database. At Kilauea, we focus on seismic swarms in the summit caldera region where, despite continuing eruptions from vents in the summit region and in the east rift zone, geodetic measurements reflect a relatively inflated volcanic state. We also focus on seismicity beneath and adjacent to Mauna Loa's summit caldera that appears to be associated with geodetic expressions of gradual volcanic inflation, and where precursory seismicity clustered prior to both Mauna Loa's most recent eruptions in 1975 and 1984. We recover several times more earthquakes with the subspace detectors - down to roughly 2 magnitude units below the templates, based on relative amplitudes - compared to the numbers of cataloged earthquakes. The increased numbers of detected earthquakes in these clusters, and the ability to associate and locate them, allow us to infer details of the spatial and temporal distributions and possible variations in stresses within these key regions of the volcanoes.

Direct lifts of coupled cell networks

NASA Astrophysics Data System (ADS)

Dias, A. P. S.; Moreira, C. S.

2018-04-01

In networks of dynamical systems, there are spaces defined in terms of equalities of cell coordinates which are flow-invariant under any dynamical system that has a form consistent with the given underlying network structure—the network synchrony subspaces. Given a network and one of its synchrony subspaces, any system with a form consistent with the network, restricted to the synchrony subspace, defines a new system which is consistent with a smaller network, called the quotient network of the original network by the synchrony subspace. Moreover, any system associated with the quotient can be interpreted as the restriction to the synchrony subspace of a system associated with the original network. We call the larger network a lift of the smaller network, and a lift can be interpreted as a result of the cellular splitting of the smaller network. In this paper, we address the question of the uniqueness in this lifting process in terms of the networks’ topologies. A lift G of a given network Q is said to be direct when there are no intermediate lifts of Q between them. We provide necessary and sufficient conditions for a lift of a general network to be direct. Our results characterize direct lifts using the subnetworks of all splitting cells of Q and of all split cells of G. We show that G is a direct lift of Q if and only if either the split subnetwork is a direct lift or consists of two copies of the splitting subnetwork. These results are then applied to the class of regular uniform networks and to the special classes of ring networks and acyclic networks. We also illustrate that one of the applications of our results is to the lifting bifurcation problem.

Efficient computational methods for electromagnetic imaging with applications to 3D magnetotellurics

NASA Astrophysics Data System (ADS)

Kordy, Michal Adam

The motivation for this work is the forward and inverse problem for magnetotellurics, a frequency domain electromagnetic remote-sensing geophysical method used in mineral, geothermal, and groundwater exploration. The dissertation consists of four papers. In the first paper, we prove the existence and uniqueness of a representation of any vector field in H(curl) by a vector lying in H(curl) and H(div). It allows us to represent electric or magnetic fields by another vector field, for which nodal finite element approximation may be used in the case of non-constant electromagnetic properties. With this approach, the system matrix does not become ill-posed for low-frequency. In the second paper, we consider hexahedral finite element approximation of an electric field for the magnetotelluric forward problem. The near-null space of the system matrix for low frequencies makes the numerical solution unstable in the air. We show that the proper solution may obtained by applying a correction on the null space of the curl. It is done by solving a Poisson equation using discrete Helmholtz decomposition. We parallelize the forward code on multicore workstation with large RAM. In the next paper, we use the forward code in the inversion. Regularization of the inversion is done by using the second norm of the logarithm of conductivity. The data space Gauss-Newton approach allows for significant savings in memory and computational time. We show the efficiency of the method by considering a number of synthetic inversions and we apply it to real data collected in Cascade Mountains. The last paper considers a cross-frequency interpolation of the forward response as well as the Jacobian. We consider Pade approximation through model order reduction and rational Krylov subspace. The interpolating frequencies are chosen adaptively in order to minimize the maximum error of interpolation. Two error indicator functions are compared. We prove a theorem of almost always lucky failure in the case of the right hand analytically dependent on frequency. The operator's null space is treated by decomposing the solution into the part in the null space and orthogonal to it.

Rapid sampling of stochastic displacements in Brownian dynamics simulations

NASA Astrophysics Data System (ADS)

Fiore, Andrew M.; Balboa Usabiaga, Florencio; Donev, Aleksandar; Swan, James W.

2017-03-01

We present a new method for sampling stochastic displacements in Brownian Dynamics (BD) simulations of colloidal scale particles. The method relies on a new formulation for Ewald summation of the Rotne-Prager-Yamakawa (RPY) tensor, which guarantees that the real-space and wave-space contributions to the tensor are independently symmetric and positive-definite for all possible particle configurations. Brownian displacements are drawn from a superposition of two independent samples: a wave-space (far-field or long-ranged) contribution, computed using techniques from fluctuating hydrodynamics and non-uniform fast Fourier transforms; and a real-space (near-field or short-ranged) correction, computed using a Krylov subspace method. The combined computational complexity of drawing these two independent samples scales linearly with the number of particles. The proposed method circumvents the super-linear scaling exhibited by all known iterative sampling methods applied directly to the RPY tensor that results from the power law growth of the condition number of tensor with the number of particles. For geometrically dense microstructures (fractal dimension equal three), the performance is independent of volume fraction, while for tenuous microstructures (fractal dimension less than three), such as gels and polymer solutions, the performance improves with decreasing volume fraction. This is in stark contrast with other related linear-scaling methods such as the force coupling method and the fluctuating immersed boundary method, for which performance degrades with decreasing volume fraction. Calculations for hard sphere dispersions and colloidal gels are illustrated and used to explore the role of microstructure on performance of the algorithm. In practice, the logarithmic part of the predicted scaling is not observed and the algorithm scales linearly for up to 4 ×106 particles, obtaining speed ups of over an order of magnitude over existing iterative methods, and making the cost of computing Brownian displacements comparable to the cost of computing deterministic displacements in BD simulations. A high-performance implementation employing non-uniform fast Fourier transforms implemented on graphics processing units and integrated with the software package HOOMD-blue is used for benchmarking.

CamOptimus: a tool for exploiting complex adaptive evolution to optimize experiments and processes in biotechnology.

PubMed

Cankorur-Cetinkaya, Ayca; Dias, Joao M L; Kludas, Jana; Slater, Nigel K H; Rousu, Juho; Oliver, Stephen G; Dikicioglu, Duygu

2017-06-01

Multiple interacting factors affect the performance of engineered biological systems in synthetic biology projects. The complexity of these biological systems means that experimental design should often be treated as a multiparametric optimization problem. However, the available methodologies are either impractical, due to a combinatorial explosion in the number of experiments to be performed, or are inaccessible to most experimentalists due to the lack of publicly available, user-friendly software. Although evolutionary algorithms may be employed as alternative approaches to optimize experimental design, the lack of simple-to-use software again restricts their use to specialist practitioners. In addition, the lack of subsidiary approaches to further investigate critical factors and their interactions prevents the full analysis and exploitation of the biotechnological system. We have addressed these problems and, here, provide a simple-to-use and freely available graphical user interface to empower a broad range of experimental biologists to employ complex evolutionary algorithms to optimize their experimental designs. Our approach exploits a Genetic Algorithm to discover the subspace containing the optimal combination of parameters, and Symbolic Regression to construct a model to evaluate the sensitivity of the experiment to each parameter under investigation. We demonstrate the utility of this method using an example in which the culture conditions for the microbial production of a bioactive human protein are optimized. CamOptimus is available through: (https://doi.org/10.17863/CAM.10257).

On orthogonal expansions of the space of vector functions which are square-summable over a given domain and the vector analysis operators

NASA Technical Reports Server (NTRS)

Bykhovskiy, E. B.; Smirnov, N. V.

1983-01-01

The Hilbert space L2(omega) of vector functions is studied. A breakdown of L2(omega) into orthogonal subspaces is discussed and the properties of the operators for projection onto these subspaces are investigated from the standpoint of preserving the differential properties of the vectors being projected. Finally, the properties of the operators are examined.

Highly Entangled, Non-random Subspaces of Tensor Products from Quantum Groups

NASA Astrophysics Data System (ADS)

Brannan, Michael; Collins, Benoît

2018-03-01

In this paper we describe a class of highly entangled subspaces of a tensor product of finite-dimensional Hilbert spaces arising from the representation theory of free orthogonal quantum groups. We determine their largest singular values and obtain lower bounds for the minimum output entropy of the corresponding quantum channels. An application to the construction of d-positive maps on matrix algebras is also presented.

Quantum error suppression with commuting Hamiltonians: two local is too local.

PubMed

Marvian, Iman; Lidar, Daniel A

2014-12-31

We consider error suppression schemes in which quantum information is encoded into the ground subspace of a Hamiltonian comprising a sum of commuting terms. Since such Hamiltonians are gapped, they are considered natural candidates for protection of quantum information and topological or adiabatic quantum computation. However, we prove that they cannot be used to this end in the two-local case. By making the favorable assumption that the gap is infinite, we show that single-site perturbations can generate a degeneracy splitting in the ground subspace of this type of Hamiltonian which is of the same order as the magnitude of the perturbation, and is independent of the number of interacting sites and their Hilbert space dimensions, just as in the absence of the protecting Hamiltonian. This splitting results in decoherence of the ground subspace, and we demonstrate that for natural noise models the coherence time is proportional to the inverse of the degeneracy splitting. Our proof involves a new version of the no-hiding theorem which shows that quantum information cannot be approximately hidden in the correlations between two quantum systems. The main reason that two-local commuting Hamiltonians cannot be used for quantum error suppression is that their ground subspaces have only short-range (two-body) entanglement.

A Channelization-Based DOA Estimation Method for Wideband Signals

PubMed Central

Guo, Rui; Zhang, Yue; Lin, Qianqiang; Chen, Zengping

2016-01-01

In this paper, we propose a novel direction of arrival (DOA) estimation method for wideband signals with sensor arrays. The proposed method splits the wideband array output into multiple frequency sub-channels and estimates the signal parameters using a digital channelization receiver. Based on the output sub-channels, a channelization-based incoherent signal subspace method (Channelization-ISM) and a channelization-based test of orthogonality of projected subspaces method (Channelization-TOPS) are proposed. Channelization-ISM applies narrowband signal subspace methods on each sub-channel independently. Then the arithmetic mean or geometric mean of the estimated DOAs from each sub-channel gives the final result. Channelization-TOPS measures the orthogonality between the signal and the noise subspaces of the output sub-channels to estimate DOAs. The proposed channelization-based method isolates signals in different bandwidths reasonably and improves the output SNR. It outperforms the conventional ISM and TOPS methods on estimation accuracy and dynamic range, especially in real environments. Besides, the parallel processing architecture makes it easy to implement on hardware. A wideband digital array radar (DAR) using direct wideband radio frequency (RF) digitization is presented. Experiments carried out in a microwave anechoic chamber with the wideband DAR are presented to demonstrate the performance. The results verify the effectiveness of the proposed method. PMID:27384566

Mode Shape Estimation Algorithms Under Ambient Conditions: A Comparative Review

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

Dosiek, Luke; Zhou, Ning; Pierre, John W.

Abstract—This paper provides a comparative review of five existing ambient electromechanical mode shape estimation algorithms, i.e., the Transfer Function (TF), Spectral, Frequency Domain Decomposition (FDD), Channel Matching, and Subspace Methods. It is also shown that the TF Method is a general approach to estimating mode shape and that the Spectral, FDD, and Channel Matching Methods are actually special cases of it. Additionally, some of the variations of the Subspace Method are reviewed and the Numerical algorithm for Subspace State Space System IDentification (N4SID) is implemented. The five algorithms are then compared using data simulated from a 17-machine model of themore » Western Electricity Coordinating Council (WECC) under ambient conditions with both low and high damping, as well as during the case where ambient data is disrupted by an oscillatory ringdown. The performance of the algorithms is compared using the statistics from Monte Carlo Simulations and results from measured WECC data, and a discussion of the practical issues surrounding their implementation, including cases where power system probing is an option, is provided. The paper concludes with some recommendations as to the appropriate use of the various techniques. Index Terms—Electromechanical mode shape, small-signal stability, phasor measurement units (PMU), system identification, N4SID, subspace.« less

A mass, momentum, and energy conserving, fully implicit, scalable algorithm for the multi-dimensional, multi-species Rosenbluth-Fokker-Planck equation

NASA Astrophysics Data System (ADS)

Taitano, W. T.; Chacón, L.; Simakov, A. N.; Molvig, K.

2015-09-01

In this study, we demonstrate a fully implicit algorithm for the multi-species, multidimensional Rosenbluth-Fokker-Planck equation which is exactly mass-, momentum-, and energy-conserving, and which preserves positivity. Unlike most earlier studies, we base our development on the Rosenbluth (rather than Landau) form of the Fokker-Planck collision operator, which reduces complexity while allowing for an optimal fully implicit treatment. Our discrete conservation strategy employs nonlinear constraints that force the continuum symmetries of the collision operator to be satisfied upon discretization. We converge the resulting nonlinear system iteratively using Jacobian-free Newton-Krylov methods, effectively preconditioned with multigrid methods for efficiency. Single- and multi-species numerical examples demonstrate the advertised accuracy properties of the scheme, and the superior algorithmic performance of our approach. In particular, the discretization approach is numerically shown to be second-order accurate in time and velocity space and to exhibit manifestly positive entropy production. That is, H-theorem behavior is indicated for all the examples we have tested. The solution approach is demonstrated to scale optimally with respect to grid refinement (with CPU time growing linearly with the number of mesh points), and timestep (showing very weak dependence of CPU time with time-step size). As a result, the proposed algorithm delivers several orders-of-magnitude speedup vs. explicit algorithms.

The AFLOW Standard for High-throughput Materials Science Calculations

DTIC Science & Technology

2015-01-01

84602, USA fDepartment of Physics and Department of Chemistry, University of North Texas, Denton, TX 76203, USA gMaterials Science, Electrical ...inversion in the iterative subspace (RMM– DIIS ) [10]. Of the two, DBS is known to be the slower and more stable option. Additionally, the subspace...RMM– DIIS steps as needed to fulfill the dEelec condition. Later determinations of system forces are performed by a similar sequence, but only a single

A description of the location and structure of the essential spectrum of a model operator in a subspace of a Fock space

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

Yodgorov, G R; Ismail, F; Muminov, Z I

2014-12-31

We consider a certain model operator acting in a subspace of a fermionic Fock space. We obtain an analogue of Faddeev's equation. We describe the location of the essential spectrum of the operator under consideration and show that the essential spectrum consists of the union of at most four segments. Bibliography: 19 titles.

Blind equalization and automatic modulation classification based on subspace for subcarrier MPSK optical communications

NASA Astrophysics Data System (ADS)

Chen, Dan; Guo, Lin-yuan; Wang, Chen-hao; Ke, Xi-zheng

2017-07-01

Equalization can compensate channel distortion caused by channel multipath effects, and effectively improve convergent of modulation constellation diagram in optical wireless system. In this paper, the subspace blind equalization algorithm is used to preprocess M-ary phase shift keying (MPSK) subcarrier modulation signal in receiver. Mountain clustering is adopted to get the clustering centers of MPSK modulation constellation diagram, and the modulation order is automatically identified through the k-nearest neighbor (KNN) classifier. The experiment has been done under four different weather conditions. Experimental results show that the convergent of constellation diagram is improved effectively after using the subspace blind equalization algorithm, which means that the accuracy of modulation recognition is increased. The correct recognition rate of 16PSK can be up to 85% in any kind of weather condition which is mentioned in paper. Meanwhile, the correct recognition rate is the highest in cloudy and the lowest in heavy rain condition.

Visual tracking based on the sparse representation of the PCA subspace

NASA Astrophysics Data System (ADS)

Chen, Dian-bing; Zhu, Ming; Wang, Hui-li

2017-09-01

We construct a collaborative model of the sparse representation and the subspace representation. First, we represent the tracking target in the principle component analysis (PCA) subspace, and then we employ an L 1 regularization to restrict the sparsity of the residual term, an L 2 regularization term to restrict the sparsity of the representation coefficients, and an L 2 norm to restrict the distance between the reconstruction and the target. Then we implement the algorithm in the particle filter framework. Furthermore, an iterative method is presented to get the global minimum of the residual and the coefficients. Finally, an alternative template update scheme is adopted to avoid the tracking drift which is caused by the inaccurate update. In the experiment, we test the algorithm on 9 sequences, and compare the results with 5 state-of-art methods. According to the results, we can conclude that our algorithm is more robust than the other methods.

A new modulated Hebbian learning rule--biologically plausible method for local computation of a principal subspace.

PubMed

Jankovic, Marko; Ogawa, Hidemitsu

2003-08-01

This paper presents one possible implementation of a transformation that performs linear mapping to a lower-dimensional subspace. Principal component subspace will be the one that will be analyzed. Idea implemented in this paper represents generalization of the recently proposed infinity OH neural method for principal component extraction. The calculations in the newly proposed method are performed locally--a feature which is usually considered as desirable from the biological point of view. Comparing to some other wellknown methods, proposed synaptic efficacy learning rule requires less information about the value of the other efficacies to make single efficacy modification. Synaptic efficacies are modified by implementation of Modulated Hebb-type (MH) learning rule. Slightly modified MH algorithm named Modulated Hebb Oja (MHO) algorithm, will be also introduced. Structural similarity of the proposed network with part of the retinal circuit will be presented, too.

Glove-based approach to online signature verification.

PubMed

Kamel, Nidal S; Sayeed, Shohel; Ellis, Grant A

2008-06-01

Utilizing the multiple degrees of freedom offered by the data glove for each finger and the hand, a novel on-line signature verification system using the Singular Value Decomposition (SVD) numerical tool for signature classification and verification is presented. The proposed technique is based on the Singular Value Decomposition in finding r singular vectors sensing the maximal energy of glove data matrix A, called principal subspace, so the effective dimensionality of A can be reduced. Having modeled the data glove signature through its r-principal subspace, signature authentication is performed by finding the angles between the different subspaces. A demonstration of the data glove is presented as an effective high-bandwidth data entry device for signature verification. This SVD-based signature verification technique is tested and its performance is shown to be able to recognize forgery signatures with a false acceptance rate of less than 1.2%.

Approximation-based common principal component for feature extraction in multi-class brain-computer interfaces.

PubMed

Hoang, Tuan; Tran, Dat; Huang, Xu

2013-01-01

Common Spatial Pattern (CSP) is a state-of-the-art method for feature extraction in Brain-Computer Interface (BCI) systems. However it is designed for 2-class BCI classification problems. Current extensions of this method to multiple classes based on subspace union and covariance matrix similarity do not provide a high performance. This paper presents a new approach to solving multi-class BCI classification problems by forming a subspace resembled from original subspaces and the proposed method for this approach is called Approximation-based Common Principal Component (ACPC). We perform experiments on Dataset 2a used in BCI Competition IV to evaluate the proposed method. This dataset was designed for motor imagery classification with 4 classes. Preliminary experiments show that the proposed ACPC feature extraction method when combining with Support Vector Machines outperforms CSP-based feature extraction methods on the experimental dataset.

Separation and reconstruction of BCG and EEG signals during continuous EEG and fMRI recordings

PubMed Central

Xia, Hongjing; Ruan, Dan; Cohen, Mark S.

2014-01-01

Despite considerable effort to remove it, the ballistocardiogram (BCG) remains a major artifact in electroencephalographic data (EEG) acquired inside magnetic resonance imaging (MRI) scanners, particularly in continuous (as opposed to event-related) recordings. In this study, we have developed a new Direct Recording Prior Encoding (DRPE) method to extract and separate the BCG and EEG components from contaminated signals, and have demonstrated its performance by comparing it quantitatively to the popular Optimal Basis Set (OBS) method. Our modified recording configuration allows us to obtain representative bases of the BCG- and EEG-only signals. Further, we have developed an optimization-based reconstruction approach to maximally incorporate prior knowledge of the BCG/EEG subspaces, and of the signal characteristics within them. Both OBS and DRPE methods were tested with experimental data, and compared quantitatively using cross-validation. In the challenging continuous EEG studies, DRPE outperforms the OBS method by nearly sevenfold in separating the continuous BCG and EEG signals. PMID:25002836

Non-commuting two-local Hamiltonians for quantum error suppression

NASA Astrophysics Data System (ADS)

Jiang, Zhang; Rieffel, Eleanor G.

2017-04-01

Physical constraints make it challenging to implement and control many-body interactions. For this reason, designing quantum information processes with Hamiltonians consisting of only one- and two-local terms is a worthwhile challenge. Enabling error suppression with two-local Hamiltonians is particularly challenging. A no-go theorem of Marvian and Lidar (Phys Rev Lett 113(26):260504, 2014) demonstrates that, even allowing particles with high Hilbert space dimension, it is impossible to protect quantum information from single-site errors by encoding in the ground subspace of any Hamiltonian containing only commuting two-local terms. Here, we get around this no-go result by encoding in the ground subspace of a Hamiltonian consisting of non-commuting two-local terms arising from the gauge operators of a subsystem code. Specifically, we show how to protect stored quantum information against single-qubit errors using a Hamiltonian consisting of sums of the gauge generators from Bacon-Shor codes (Bacon in Phys Rev A 73(1):012340, 2006) and generalized-Bacon-Shor code (Bravyi in Phys Rev A 83(1):012320, 2011). Our results imply that non-commuting two-local Hamiltonians have more error-suppressing power than commuting two-local Hamiltonians. While far from providing full fault tolerance, this approach improves the robustness achievable in near-term implementable quantum storage and adiabatic quantum computations, reducing the number of higher-order terms required to encode commonly used adiabatic Hamiltonians such as the Ising Hamiltonians common in adiabatic quantum optimization and quantum annealing.

Estimation of Supersonic Stage Separation Aerodynamics of Winged-Body Launch Vehicles Using Response Surface Methods

NASA Technical Reports Server (NTRS)

Erickson, Gary E.; Deloach, Richard

2008-01-01

A collection of statistical and mathematical techniques referred to as response surface methodology was used to estimate the longitudinal stage separation aerodynamic characteristics of a generic, bimese, winged multi-stage launch vehicle configuration using data obtained on small-scale models at supersonic speeds in the NASA Langley Research Center Unitary Plan Wind Tunnel. The simulated Mach 3 staging was dominated by multiple shock wave interactions between the orbiter and booster vehicles throughout the relative spatial locations of interest. This motivated a partitioning of the overall inference space into several contiguous regions within which the separation aerodynamics were presumed to be well-behaved and estimable using cuboidal and spherical central composite designs capable of fitting full second-order response functions. The primary goal was to approximate the underlying overall aerodynamic response surfaces of the booster vehicle in belly-to-belly proximity to the orbiter vehicle using relatively simple, lower-order polynomial functions that were piecewise-continuous across the full independent variable ranges of interest. The quality of fit and prediction capabilities of the empirical models were assessed in detail, and the issue of subspace boundary discontinuities was addressed. The potential benefits of augmenting the central composite designs to full third order using computer-generated D-optimality criteria were also evaluated. The usefulness of central composite designs, the subspace sizing, and the practicality of fitting low-order response functions over a partitioned inference space dominated by highly nonlinear and possibly discontinuous shock-induced aerodynamics are discussed.

Advancing parabolic operators in thermodynamic MHD models: Explicit super time-stepping versus implicit schemes with Krylov solvers

NASA Astrophysics Data System (ADS)

Caplan, R. M.; Mikić, Z.; Linker, J. A.; Lionello, R.

2017-05-01

We explore the performance and advantages/disadvantages of using unconditionally stable explicit super time-stepping (STS) algorithms versus implicit schemes with Krylov solvers for integrating parabolic operators in thermodynamic MHD models of the solar corona. Specifically, we compare the second-order Runge-Kutta Legendre (RKL2) STS method with the implicit backward Euler scheme computed using the preconditioned conjugate gradient (PCG) solver with both a point-Jacobi and a non-overlapping domain decomposition ILU0 preconditioner. The algorithms are used to integrate anisotropic Spitzer thermal conduction and artificial kinematic viscosity at time-steps much larger than classic explicit stability criteria allow. A key component of the comparison is the use of an established MHD model (MAS) to compute a real-world simulation on a large HPC cluster. Special attention is placed on the parallel scaling of the algorithms. It is shown that, for a specific problem and model, the RKL2 method is comparable or surpasses the implicit method with PCG solvers in performance and scaling, but suffers from some accuracy limitations. These limitations, and the applicability of RKL methods are briefly discussed.

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.

Physics-Based Preconditioning of a Compressible Flow Solver for Large-Scale Simulations of Additive Manufacturing Processes

NASA Astrophysics Data System (ADS)

Weston, Brian; Nourgaliev, Robert; Delplanque, Jean-Pierre

2017-11-01

We present a new block-based Schur complement preconditioner for simulating all-speed compressible flow with phase change. The conservation equations are discretized with a reconstructed Discontinuous Galerkin method and integrated in time with fully implicit time discretization schemes. The resulting set of non-linear equations is converged using a robust Newton-Krylov framework. Due to the stiffness of the underlying physics associated with stiff acoustic waves and viscous material strength effects, we solve for the primitive-variables (pressure, velocity, and temperature). To enable convergence of the highly ill-conditioned linearized systems, we develop a physics-based preconditioner, utilizing approximate block factorization techniques to reduce the fully-coupled 3×3 system to a pair of reduced 2×2 systems. We demonstrate that our preconditioned Newton-Krylov framework converges on very stiff multi-physics problems, corresponding to large CFL and Fourier numbers, with excellent algorithmic and parallel scalability. Results are shown for the classic lid-driven cavity flow problem as well as for 3D laser-induced phase change. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

Implicit Plasma Kinetic Simulation Using The Jacobian-Free Newton-Krylov Method

NASA Astrophysics Data System (ADS)

Taitano, William; Knoll, Dana; Chacon, Luis

2009-11-01

The use of fully implicit time integration methods in kinetic simulation is still area of algorithmic research. A brute-force approach to simultaneously including the field equations and the particle distribution function would result in an intractable linear algebra problem. A number of algorithms have been put forward which rely on an extrapolation in time. They can be thought of as linearly implicit methods or one-step Newton methods. However, issues related to time accuracy of these methods still remain. We are pursuing a route to implicit plasma kinetic simulation which eliminates extrapolation, eliminates phase-space from the linear algebra problem, and converges the entire nonlinear system within a time step. We accomplish all this using the Jacobian-Free Newton-Krylov algorithm. The original research along these lines considered particle methods to advance the distribution function [1]. In the current research we are advancing the Vlasov equations on a grid. Results will be presented which highlight algorithmic details for single species electrostatic problems and coupled ion-electron electrostatic problems. [4pt] [1] H. J. Kim, L. Chac'on, G. Lapenta, ``Fully implicit particle in cell algorithm,'' 47th Annual Meeting of the Division of Plasma Physics, Oct. 24-28, 2005, Denver, CO

Three-dimensional desirability spaces for quality-by-design-based HPLC development.

PubMed

Mokhtar, Hatem I; Abdel-Salam, Randa A; Hadad, Ghada M

2015-04-01

In this study, three-dimensional desirability spaces were introduced as a graphical representation method of design space. This was illustrated in the context of application of quality-by-design concepts on development of a stability indicating gradient reversed-phase high-performance liquid chromatography method for the determination of vinpocetine and α-tocopheryl acetate in a capsule dosage form. A mechanistic retention model to optimize gradient time, initial organic solvent concentration and ternary solvent ratio was constructed for each compound from six experimental runs. Then, desirability function of each optimized criterion and subsequently the global desirability function were calculated throughout the knowledge space. The three-dimensional desirability spaces were plotted as zones exceeding a threshold value of desirability index in space defined by the three optimized method parameters. Probabilistic mapping of desirability index aided selection of design space within the potential desirability subspaces. Three-dimensional desirability spaces offered better visualization and potential design spaces for the method as a function of three method parameters with ability to assign priorities to this critical quality as compared with the corresponding resolution spaces. © The Author 2014. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

CamOptimus: a tool for exploiting complex adaptive evolution to optimize experiments and processes in biotechnology

PubMed Central

Cankorur-Cetinkaya, Ayca; Dias, Joao M. L.; Kludas, Jana; Slater, Nigel K. H.; Rousu, Juho; Dikicioglu, Duygu

2017-01-01

Multiple interacting factors affect the performance of engineered biological systems in synthetic biology projects. The complexity of these biological systems means that experimental design should often be treated as a multiparametric optimization problem. However, the available methodologies are either impractical, due to a combinatorial explosion in the number of experiments to be performed, or are inaccessible to most experimentalists due to the lack of publicly available, user-friendly software. Although evolutionary algorithms may be employed as alternative approaches to optimize experimental design, the lack of simple-to-use software again restricts their use to specialist practitioners. In addition, the lack of subsidiary approaches to further investigate critical factors and their interactions prevents the full analysis and exploitation of the biotechnological system. We have addressed these problems and, here, provide a simple‐to‐use and freely available graphical user interface to empower a broad range of experimental biologists to employ complex evolutionary algorithms to optimize their experimental designs. Our approach exploits a Genetic Algorithm to discover the subspace containing the optimal combination of parameters, and Symbolic Regression to construct a model to evaluate the sensitivity of the experiment to each parameter under investigation. We demonstrate the utility of this method using an example in which the culture conditions for the microbial production of a bioactive human protein are optimized. CamOptimus is available through: (https://doi.org/10.17863/CAM.10257). PMID:28635591

Tachyon condensation due to domain-wall annihilation in Bose-Einstein condensates.

PubMed

Takeuchi, Hiromitsu; Kasamatsu, Kenichi; Tsubota, Makoto; Nitta, Muneto

2012-12-14

We show theoretically that a domain-wall annihilation in two-component Bose-Einstein condensates causes tachyon condensation accompanied by spontaneous symmetry breaking in a two-dimensional subspace. Three-dimensional vortex formation from domain-wall annihilations is considered a kink formation in subspace. Numerical experiments reveal that the subspatial dynamics obey the dynamic scaling law of phase-ordering kinetics. This model is experimentally feasible and provides insights into how the extra dimensions influence subspatial phase transition in higher-dimensional space.

Perturbed invariant subspaces and approximate generalized functional variable separation solution for nonlinear diffusion-convection equations with weak source

NASA Astrophysics Data System (ADS)

Xia, Ya-Rong; Zhang, Shun-Li; Xin, Xiang-Peng

2018-03-01

In this paper, we propose the concept of the perturbed invariant subspaces (PISs), and study the approximate generalized functional variable separation solution for the nonlinear diffusion-convection equation with weak source by the approximate generalized conditional symmetries (AGCSs) related to the PISs. Complete classification of the perturbed equations which admit the approximate generalized functional separable solutions (AGFSSs) is obtained. As a consequence, some AGFSSs to the resulting equations are explicitly constructed by way of examples.

Information-theoretic limitations on approximate quantum cloning and broadcasting

NASA Astrophysics Data System (ADS)

Lemm, Marius; Wilde, Mark M.

2017-07-01

We prove quantitative limitations on any approximate simultaneous cloning or broadcasting of mixed states. The results are based on information-theoretic (entropic) considerations and generalize the well-known no-cloning and no-broadcasting theorems. We also observe and exploit the fact that the universal cloning machine on the symmetric subspace of n qudits and symmetrized partial trace channels are dual to each other. This duality manifests itself both in the algebraic sense of adjointness of quantum channels and in the operational sense that a universal cloning machine can be used as an approximate recovery channel for a symmetrized partial trace channel and vice versa. The duality extends to give control of the performance of generalized universal quantum cloning machines (UQCMs) on subspaces more general than the symmetric subspace. This gives a way to quantify the usefulness of a priori information in the context of cloning. For example, we can control the performance of an antisymmetric analog of the UQCM in recovering from the loss of n -k fermionic particles.

Qudit-Basis Universal Quantum Computation Using χ^{(2)} Interactions.

PubMed

Niu, Murphy Yuezhen; Chuang, Isaac L; Shapiro, Jeffrey H

2018-04-20

We prove that universal quantum computation can be realized-using only linear optics and χ^{(2)} (three-wave mixing) interactions-in any (n+1)-dimensional qudit basis of the n-pump-photon subspace. First, we exhibit a strictly universal gate set for the qubit basis in the one-pump-photon subspace. Next, we demonstrate qutrit-basis universality by proving that χ^{(2)} Hamiltonians and photon-number operators generate the full u(3) Lie algebra in the two-pump-photon subspace, and showing how the qutrit controlled-Z gate can be implemented with only linear optics and χ^{(2)} interactions. We then use proof by induction to obtain our general qudit result. Our induction proof relies on coherent photon injection or subtraction, a technique enabled by χ^{(2)} interaction between the encoding modes and ancillary modes. Finally, we show that coherent photon injection is more than a conceptual tool, in that it offers a route to preparing high-photon-number Fock states from single-photon Fock states.

Exact solution of mean-field plus an extended T = 1 nuclear pairing Hamiltonian in the seniority-zero symmetric subspace

NASA Astrophysics Data System (ADS)

Pan, Feng; Ding, Xiaoxue; Launey, Kristina D.; Dai, Lianrong; Draayer, Jerry P.

2018-05-01

An extended pairing Hamiltonian that describes multi-pair interactions among isospin T = 1 and angular momentum J = 0 neutron-neutron, proton-proton, and neutron-proton pairs in a spherical mean field, such as the spherical shell model, is proposed based on the standard T = 1 pairing formalism. The advantage of the model lies in the fact that numerical solutions within the seniority-zero symmetric subspace can be obtained more easily and with less computational time than those calculated from the mean-field plus standard T = 1 pairing model. Thus, large-scale calculations within the seniority-zero symmetric subspace of the model is feasible. As an example of the application, the average neutron-proton interaction in even-even N ∼ Z nuclei that can be suitably described in the f5 pg9 shell is estimated in the present model, with a focus on the role of np-pairing correlations.

Qudit-Basis Universal Quantum Computation Using χ(2 ) Interactions

NASA Astrophysics Data System (ADS)

Niu, Murphy Yuezhen; Chuang, Isaac L.; Shapiro, Jeffrey H.

2018-04-01

We prove that universal quantum computation can be realized—using only linear optics and χ(2 ) (three-wave mixing) interactions—in any (n +1 )-dimensional qudit basis of the n -pump-photon subspace. First, we exhibit a strictly universal gate set for the qubit basis in the one-pump-photon subspace. Next, we demonstrate qutrit-basis universality by proving that χ(2 ) Hamiltonians and photon-number operators generate the full u (3 ) Lie algebra in the two-pump-photon subspace, and showing how the qutrit controlled-Z gate can be implemented with only linear optics and χ(2 ) interactions. We then use proof by induction to obtain our general qudit result. Our induction proof relies on coherent photon injection or subtraction, a technique enabled by χ(2 ) interaction between the encoding modes and ancillary modes. Finally, we show that coherent photon injection is more than a conceptual tool, in that it offers a route to preparing high-photon-number Fock states from single-photon Fock states.

Current harmonics elimination control method for six-phase PM synchronous motor drives.

PubMed

Yuan, Lei; Chen, Ming-liang; Shen, Jian-qing; Xiao, Fei

2015-11-01

To reduce the undesired 5th and 7th stator harmonic current in the six-phase permanent magnet synchronous motor (PMSM), an improved vector control algorithm was proposed based on vector space decomposition (VSD) transformation method, which can control the fundamental and harmonic subspace separately. To improve the traditional VSD technology, a novel synchronous rotating coordinate transformation matrix was presented in this paper, and only using the traditional PI controller in d-q subspace can meet the non-static difference adjustment, the controller parameter design method is given by employing internal model principle. Moreover, the current PI controller parallel with resonant controller is employed in x-y subspace to realize the specific 5th and 7th harmonic component compensation. In addition, a new six-phase SVPWM algorithm based on VSD transformation theory is also proposed. Simulation and experimental results verify the effectiveness of current decoupling vector controller. Copyright © 2015 ISA. Published by Elsevier Ltd. All rights reserved.

Word Spotting and Recognition with Embedded Attributes.

PubMed

Almazán, Jon; Gordo, Albert; Fornés, Alicia; Valveny, Ernest

2014-12-01

This paper addresses the problems of word spotting and word recognition on images. In word spotting, the goal is to find all instances of a query word in a dataset of images. In recognition, the goal is to recognize the content of the word image, usually aided by a dictionary or lexicon. We describe an approach in which both word images and text strings are embedded in a common vectorial subspace. This is achieved by a combination of label embedding and attributes learning, and a common subspace regression. In this subspace, images and strings that represent the same word are close together, allowing one to cast recognition and retrieval tasks as a nearest neighbor problem. Contrary to most other existing methods, our representation has a fixed length, is low dimensional, and is very fast to compute and, especially, to compare. We test our approach on four public datasets of both handwritten documents and natural images showing results comparable or better than the state-of-the-art on spotting and recognition tasks.

Hardware-efficient Bell state preparation using Quantum Zeno Dynamics in superconducting circuits

NASA Astrophysics Data System (ADS)

Flurin, Emmanuel; Blok, Machiel; Hacohen-Gourgy, Shay; Martin, Leigh S.; Livingston, William P.; Dove, Allison; Siddiqi, Irfan

By preforming a continuous joint measurement on a two qubit system, we restrict the qubit evolution to a chosen subspace of the total Hilbert space. This extension of the quantum Zeno effect, called Quantum Zeno Dynamics, has already been explored in various physical systems such as superconducting cavities, single rydberg atoms, atomic ensembles and Bose Einstein condensates. In this experiment, two superconducting qubits are strongly dispersively coupled to a high-Q cavity (χ >> κ) allowing for the doubly excited state | 11 〉 to be selectively monitored. The Quantum Zeno Dynamics in the complementary subspace enables us to coherently prepare a Bell state. As opposed to dissipation engineering schemes, we emphasize that our protocol is deterministic, does not rely direct coupling between qubits and functions only using single qubit controls and cavity readout. Such Quantum Zeno Dynamics can be generalized to larger Hilbert space enabling deterministic generation of many-body entangled states, and thus realizes a decoherence-free subspace allowing alternative noise-protection schemes.

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

Krause, Josua; Dasgupta, Aritra; Fekete, Jean-Daniel

Dealing with the curse of dimensionality is a key challenge in high-dimensional data visualization. We present SeekAView to address three main gaps in the existing research literature. First, automated methods like dimensionality reduction or clustering suffer from a lack of transparency in letting analysts interact with their outputs in real-time to suit their exploration strategies. The results often suffer from a lack of interpretability, especially for domain experts not trained in statistics and machine learning. Second, exploratory visualization techniques like scatter plots or parallel coordinates suffer from a lack of visual scalability: it is difficult to present a coherent overviewmore » of interesting combinations of dimensions. Third, the existing techniques do not provide a flexible workflow that allows for multiple perspectives into the analysis process by automatically detecting and suggesting potentially interesting subspaces. In SeekAView we address these issues using suggestion based visual exploration of interesting patterns for building and refining multidimensional subspaces. Compared to the state-of-the-art in subspace search and visualization methods, we achieve higher transparency in showing not only the results of the algorithms, but also interesting dimensions calibrated against different metrics. We integrate a visually scalable design space with an iterative workflow guiding the analysts by choosing the starting points and letting them slice and dice through the data to find interesting subspaces and detect correlations, clusters, and outliers. We present two usage scenarios for demonstrating how SeekAView can be applied in real-world data analysis scenarios.« less

Remote sensing image segmentation using local sparse structure constrained latent low rank representation

NASA Astrophysics Data System (ADS)

Tian, Shu; Zhang, Ye; Yan, Yimin; Su, Nan; Zhang, Junping

2016-09-01

Latent low-rank representation (LatLRR) has been attached considerable attention in the field of remote sensing image segmentation, due to its effectiveness in exploring the multiple subspace structures of data. However, the increasingly heterogeneous texture information in the high spatial resolution remote sensing images, leads to more severe interference of pixels in local neighborhood, and the LatLRR fails to capture the local complex structure information. Therefore, we present a local sparse structure constrainted latent low-rank representation (LSSLatLRR) segmentation method, which explicitly imposes the local sparse structure constraint on LatLRR to capture the intrinsic local structure in manifold structure feature subspaces. The whole segmentation framework can be viewed as two stages in cascade. In the first stage, we use the local histogram transform to extract the texture local histogram features (LHOG) at each pixel, which can efficiently capture the complex and micro-texture pattern. In the second stage, a local sparse structure (LSS) formulation is established on LHOG, which aims to preserve the local intrinsic structure and enhance the relationship between pixels having similar local characteristics. Meanwhile, by integrating the LSS and the LatLRR, we can efficiently capture the local sparse and low-rank structure in the mixture of feature subspace, and we adopt the subspace segmentation method to improve the segmentation accuracy. Experimental results on the remote sensing images with different spatial resolution show that, compared with three state-of-the-art image segmentation methods, the proposed method achieves more accurate segmentation results.

Differential evolution algorithm-based kernel parameter selection for Fukunaga-Koontz Transform subspaces construction

NASA Astrophysics Data System (ADS)

Binol, Hamidullah; Bal, Abdullah; Cukur, Huseyin

2015-10-01

The performance of the kernel based techniques depends on the selection of kernel parameters. That's why; suitable parameter selection is an important problem for many kernel based techniques. This article presents a novel technique to learn the kernel parameters in kernel Fukunaga-Koontz Transform based (KFKT) classifier. The proposed approach determines the appropriate values of kernel parameters through optimizing an objective function constructed based on discrimination ability of KFKT. For this purpose we have utilized differential evolution algorithm (DEA). The new technique overcomes some disadvantages such as high time consumption existing in the traditional cross-validation method, and it can be utilized in any type of data. The experiments for target detection applications on the hyperspectral images verify the effectiveness of the proposed method.

Novel palmprint representations for palmprint recognition

NASA Astrophysics Data System (ADS)

Li, Hengjian; Dong, Jiwen; Li, Jinping; Wang, Lei

2015-02-01

In this paper, we propose a novel palmprint recognition algorithm. Firstly, the palmprint images are represented by the anisotropic filter. The filters are built on Gaussian functions along one direction, and on second derivative of Gaussian functions in the orthogonal direction. Also, this choice is motivated by the optimal joint spatial and frequency localization of the Gaussian kernel. Therefore,they can better approximate the edge or line of palmprint images. A palmprint image is processed with a bank of anisotropic filters at different scales and rotations for robust palmprint features extraction. Once these features are extracted, subspace analysis is then applied to the feature vectors for dimension reduction as well as class separability. Experimental results on a public palmprint database show that the accuracy could be improved by the proposed novel representations, compared with Gabor.

Hamiltonian purification

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

Orsucci, Davide; Burgarth, Daniel; Facchi, Paolo

The problem of Hamiltonian purification introduced by Burgarth et al. [Nat. Commun. 5, 5173 (2014)] is formalized and discussed. Specifically, given a set of non-commuting Hamiltonians (h{sub 1}, …, h{sub m}) operating on a d-dimensional quantum system ℋ{sub d}, the problem consists in identifying a set of commuting Hamiltonians (H{sub 1}, …, H{sub m}) operating on a larger d{sub E}-dimensional system ℋ{sub d{sub E}} which embeds ℋ{sub d} as a proper subspace, such that h{sub j} = PH{sub j}P with P being the projection which allows one to recover ℋ{sub d} from ℋ{sub d{sub E}}. The notions of spanning-set purificationmore » and generator purification of an algebra are also introduced and optimal solutions for u(d) are provided.« less

Hidden discriminative features extraction for supervised high-order time series modeling.

PubMed

Nguyen, Ngoc Anh Thi; Yang, Hyung-Jeong; Kim, Sunhee

2016-11-01

In this paper, an orthogonal Tucker-decomposition-based extraction of high-order discriminative subspaces from a tensor-based time series data structure is presented, named as Tensor Discriminative Feature Extraction (TDFE). TDFE relies on the employment of category information for the maximization of the between-class scatter and the minimization of the within-class scatter to extract optimal hidden discriminative feature subspaces that are simultaneously spanned by every modality for supervised tensor modeling. In this context, the proposed tensor-decomposition method provides the following benefits: i) reduces dimensionality while robustly mining the underlying discriminative features, ii) results in effective interpretable features that lead to an improved classification and visualization, and iii) reduces the processing time during the training stage and the filtering of the projection by solving the generalized eigenvalue issue at each alternation step. Two real third-order tensor-structures of time series datasets (an epilepsy electroencephalogram (EEG) that is modeled as channel×frequency bin×time frame and a microarray data that is modeled as gene×sample×time) were used for the evaluation of the TDFE. The experiment results corroborate the advantages of the proposed method with averages of 98.26% and 89.63% for the classification accuracies of the epilepsy dataset and the microarray dataset, respectively. These performance averages represent an improvement on those of the matrix-based algorithms and recent tensor-based, discriminant-decomposition approaches; this is especially the case considering the small number of samples that are used in practice. Copyright © 2016 Elsevier Ltd. All rights reserved.

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

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

Choi, Youngsoo; Carlberg, Kevin Thomas

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

Formulation d'un modele mathematique par des techniques d'estimation de parametres a partir de donnees de vol pour l'helicoptere Bell 427 et l'avion F/A-18 servant a la recherches en aeroservoelasticite

NASA Astrophysics Data System (ADS)

Nadeau-Beaulieu, Michel

In this thesis, three mathematical models are built from flight test data for different aircraft design applications: a ground dynamics model for the Bell 427 helicopter, a prediction model for the rotor and engine parameters for the same helicopter type and a simulation model for the aeroelastic deflections of the F/A-18. In the ground dynamics application, the model structure is derived from physics where the normal force between the helicopter and the ground is modelled as a vertical spring and the frictional force is modelled with static and dynamic friction coefficients. The ground dynamics model coefficients are optimized to ensure that the model matches the landing data within the FAA (Federal Aviation Administration) tolerance bands for a level D flight simulator. In the rotor and engine application, rotors torques (main and tail), the engine torque and main rotor speed are estimated using a state-space model. The model inputs are nonlinear terms derived from the pilot control inputs and the helicopter states. The model parameters are identified using the subspace method and are further optimised with the Levenberg-Marquardt minimisation algorithm. The model built with the subspace method provides an excellent estimate of the outputs within the FAA tolerance bands. The F/A-18 aeroelastic state-space model is built from flight test. The research concerning this model is divided in two parts. Firstly, the deflection of a given structural surface on the aircraft following a differential ailerons control input is represented by a Multiple Inputs Single Outputs linear model whose inputs are the ailerons positions and the structural surfaces deflections. Secondly, a single state-space model is used to represent the deflection of the aircraft wings and trailing edge flaps following any control input. In this case the model is made non-linear by multiplying model inputs into higher order terms and using these terms as the inputs of the state-space equations. In both cases, the identification method is the subspace method. Most fit coefficients between the estimated and the measured signals are above 73% and most correlation coefficient are higher than 90%.

Room-temperature storage of quantum entanglement using decoherence-free subspace in a solid-state spin system

NASA Astrophysics Data System (ADS)

Wang, F.; Huang, Y.-Y.; Zhang, Z.-Y.; Zu, C.; Hou, P.-Y.; Yuan, X.-X.; Wang, W.-B.; Zhang, W.-G.; He, L.; Chang, X.-Y.; Duan, L.-M.

2017-10-01

We experimentally demonstrate room-temperature storage of quantum entanglement using two nuclear spins weakly coupled to the electronic spin carried by a single nitrogen-vacancy center in diamond. We realize universal quantum gate control over the three-qubit spin system and produce entangled states in the decoherence-free subspace of the two nuclear spins. By injecting arbitrary collective noise, we demonstrate that the decoherence-free entangled state has coherence time longer than that of other entangled states by an order of magnitude in our experiment.

Nested Krylov methods and preserving the orthogonality

NASA Technical Reports Server (NTRS)

Desturler, Eric; Fokkema, Diederik R.

1993-01-01

Recently the GMRESR inner-outer iteraction scheme for the solution of linear systems of equations was proposed by Van der Vorst and Vuik. Similar methods have been proposed by Axelsson and Vassilevski and Saad (FGMRES). The outer iteration is GCR, which minimizes the residual over a given set of direction vectors. The inner iteration is GMRES, which at each step computes a new direction vector by approximately solving the residual equation. However, the optimality of the approximation over the space of outer search directions is ignored in the inner GMRES iteration. This leads to suboptimal corrections to the solution in the outer iteration, as components of the outer iteration directions may reenter in the inner iteration process. Therefore we propose to preserve the orthogonality relations of GCR in the inner GMRES iteration. This gives optimal corrections; however, it involves working with a singular, non-symmetric operator. We will discuss some important properties, and we will show by experiments that, in terms of matrix vector products, this modification (almost) always leads to better convergence. However, because we do more orthogonalizations, it does not always give an improved performance in CPU-time. Furthermore, we will discuss efficient implementations as well as the truncation possibilities of the outer GCR process. The experimental results indicate that for such methods it is advantageous to preserve the orthogonality in the inner iteration. Of course we can also use iteration schemes other than GMRES as the inner method; methods with short recurrences like GICGSTAB are of interest.

The algebraic criteria for the stability of control systems

NASA Technical Reports Server (NTRS)

Cremer, H.; Effertz, F. H.

1986-01-01

This paper critically examines the standard algebraic criteria for the stability of linear control systems and their proofs, reveals important previously unnoticed connections, and presents new representations. Algebraic stability criteria have also acquired significance for stability studies of non-linear differential equation systems by the Krylov-Bogoljubov-Magnus Method, and allow realization conditions to be determined for classes of broken rational functions as frequency characteristics of electrical network.

Molecular Quantum Mechanics: Analytic Gradients and Beyond - Program and Abstracts

DTIC Science & Technology

2007-06-03

Kutzelnigg (Bochum, Germany) Chair: Pekka Pyykko (Helsinki, Finland) Which Masses are Vibrating or Rotating in a Molecule? 15:40-16:15 O30...Krylov (Los Angeles, CA, U.S.A.) Multiconfigurational Quantum Chemistry for Actinide Containing Systems: From Isolated Molecules to Condensed...the genetic algorithm will be critically assessed. For B4n, the double rings are notably stable. The DFT calculations provide strong indications of

Tensor-product preconditioners for a space-time discontinuous Galerkin method

NASA Astrophysics Data System (ADS)

Diosady, Laslo T.; Murman, Scott M.

2014-10-01

A space-time discontinuous Galerkin spectral element discretization is presented for direct numerical simulation of the compressible Navier-Stokes equations. An efficient solution technique based on a matrix-free Newton-Krylov method is presented. A diagonalized alternating direction implicit preconditioner is extended to a space-time formulation using entropy variables. The effectiveness of this technique is demonstrated for the direct numerical simulation of turbulent flow in a channel.

Fully-Implicit Reconstructed Discontinuous Galerkin Method for Stiff Multiphysics Problems

NASA Astrophysics Data System (ADS)

Nourgaliev, Robert

2015-11-01

A new reconstructed Discontinuous Galerkin (rDG) method, based on orthogonal basis/test functions, is developed for fluid flows on unstructured meshes. Orthogonality of basis functions is essential for enabling robust and efficient fully-implicit Newton-Krylov based time integration. The method is designed for generic partial differential equations, including transient, hyperbolic, parabolic or elliptic operators, which are attributed to many multiphysics problems. We demonstrate the method's capabilities for solving compressible fluid-solid systems (in the low Mach number limit), with phase change (melting/solidification), as motivated by applications in Additive Manufacturing. We focus on the method's accuracy (in both space and time), as well as robustness and solvability of the system of linear equations involved in the linearization steps of Newton-based methods. The performance of the developed method is investigated for highly-stiff problems with melting/solidification, emphasizing the advantages from tight coupling of mass, momentum and energy conservation equations, as well as orthogonality of basis functions, which leads to better conditioning of the underlying (approximate) Jacobian matrices, and rapid convergence of the Krylov-based linear solver. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344, and funded by the LDRD at LLNL under project tracking code 13-SI-002.

Implementation of the Jacobian-free Newton-Krylov method for solving the for solving the first-order ice sheet momentum balance

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

Salinger, Andy; Evans, Katherine J; Lemieux, Jean-Francois

2011-01-01

We have implemented the Jacobian-free Newton-Krylov (JFNK) method for solving the rst-order ice sheet momentum equation in order to improve the numerical performance of the Community Ice Sheet Model (CISM), the land ice component of the Community Earth System Model (CESM). Our JFNK implementation is based on signicant re-use of existing code. For example, our physics-based preconditioner uses the original Picard linear solver in CISM. For several test cases spanning a range of geometries and boundary conditions, our JFNK implementation is 1.84-3.62 times more efficient than the standard Picard solver in CISM. Importantly, this computational gain of JFNK over themore » Picard solver increases when rening the grid. Global convergence of the JFNK solver has been signicantly improved by rescaling the equation for the basal boundary condition and through the use of an inexact Newton method. While a diverse set of test cases show that our JFNK implementation is usually robust, for some problems it may fail to converge with increasing resolution (as does the Picard solver). Globalization through parameter continuation did not remedy this problem and future work to improve robustness will explore a combination of Picard and JFNK and the use of homotopy methods.« less

A SEMI-LAGRANGIAN TWO-LEVEL PRECONDITIONED NEWTON-KRYLOV SOLVER FOR CONSTRAINED DIFFEOMORPHIC IMAGE REGISTRATION.

PubMed

Mang, Andreas; Biros, George

2017-01-01

We propose an efficient numerical algorithm for the solution of diffeomorphic image registration problems. We use a variational formulation constrained by a partial differential equation (PDE), where the constraints are a scalar transport equation. We use a pseudospectral discretization in space and second-order accurate semi-Lagrangian time stepping scheme for the transport equations. We solve for a stationary velocity field using a preconditioned, globalized, matrix-free Newton-Krylov scheme. We propose and test a two-level Hessian preconditioner. We consider two strategies for inverting the preconditioner on the coarse grid: a nested preconditioned conjugate gradient method (exact solve) and a nested Chebyshev iterative method (inexact solve) with a fixed number of iterations. We test the performance of our solver in different synthetic and real-world two-dimensional application scenarios. We study grid convergence and computational efficiency of our new scheme. We compare the performance of our solver against our initial implementation that uses the same spatial discretization but a standard, explicit, second-order Runge-Kutta scheme for the numerical time integration of the transport equations and a single-level preconditioner. Our improved scheme delivers significant speedups over our original implementation. As a highlight, we observe a 20 × speedup for a two dimensional, real world multi-subject medical image registration problem.

Application of Jacobian-free Newton–Krylov method in implicitly solving two-fluid six-equation two-phase flow problems: Implementation, validation and benchmark

DOE PAGES

Zou, Ling; Zhao, Haihua; Zhang, Hongbin

2016-03-09

This work represents a first-of-its-kind successful application to employ advanced numerical methods in solving realistic two-phase flow problems with two-fluid six-equation two-phase flow model. These advanced numerical methods include high-resolution spatial discretization scheme with staggered grids (high-order) fully implicit time integration schemes, and Jacobian-free Newton–Krylov (JFNK) method as the nonlinear solver. The computer code developed in this work has been extensively validated with existing experimental flow boiling data in vertical pipes and rod bundles, which cover wide ranges of experimental conditions, such as pressure, inlet mass flux, wall heat flux and exit void fraction. Additional code-to-code benchmark with the RELAP5-3Dmore » code further verifies the correct code implementation. The combined methods employed in this work exhibit strong robustness in solving two-phase flow problems even when phase appearance (boiling) and realistic discrete flow regimes are considered. Transitional flow regimes used in existing system analysis codes, normally introduced to overcome numerical difficulty, were completely removed in this work. As a result, this in turn provides the possibility to utilize more sophisticated flow regime maps in the future to further improve simulation accuracy.« less

Performance of a parallel algebraic multilevel preconditioner for stabilized finite element semiconductor device modeling

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

Lin, Paul T.; Shadid, John N.; Sala, Marzio

In this study results are presented for the large-scale parallel performance of an algebraic multilevel preconditioner for solution of the drift-diffusion model for semiconductor devices. The preconditioner is the key numerical procedure determining the robustness, efficiency and scalability of the fully-coupled Newton-Krylov based, nonlinear solution method that is employed for this system of equations. The coupled system is comprised of a source term dominated Poisson equation for the electric potential, and two convection-diffusion-reaction type equations for the electron and hole concentration. The governing PDEs are discretized in space by a stabilized finite element method. Solution of the discrete system ismore » obtained through a fully-implicit time integrator, a fully-coupled Newton-based nonlinear solver, and a restarted GMRES Krylov linear system solver. The algebraic multilevel preconditioner is based on an aggressive coarsening graph partitioning of the nonzero block structure of the Jacobian matrix. Representative performance results are presented for various choices of multigrid V-cycles and W-cycles and parameter variations for smoothers based on incomplete factorizations. Parallel scalability results are presented for solution of up to 10{sup 8} unknowns on 4096 processors of a Cray XT3/4 and an IBM POWER eServer system.« less

Efficient Coupling of Fluid-Plasma and Monte-Carlo-Neutrals Models for Edge Plasma Transport

NASA Astrophysics Data System (ADS)

Dimits, A. M.; Cohen, B. I.; Friedman, A.; Joseph, I.; Lodestro, L. L.; Rensink, M. E.; Rognlien, T. D.; Sjogreen, B.; Stotler, D. P.; Umansky, M. V.

2017-10-01

UEDGE has been valuable for modeling transport in the tokamak edge and scrape-off layer due in part to its efficient fully implicit solution of coupled fluid neutrals and plasma models. We are developing an implicit coupling of the kinetic Monte-Carlo (MC) code DEGAS-2, as the neutrals model component, to the UEDGE plasma component, based on an extension of the Jacobian-free Newton-Krylov (JFNK) method to MC residuals. The coupling components build on the methods and coding already present in UEDGE. For the linear Krylov iterations, a procedure has been developed to ``extract'' a good preconditioner from that of UEDGE. This preconditioner may also be used to greatly accelerate the convergence rate of a relaxed fixed-point iteration, which may provide a useful ``intermediate'' algorithm. The JFNK method also requires calculation of Jacobian-vector products, for which any finite-difference procedure is inaccurate when a MC component is present. A semi-analytical procedure that retains the standard MC accuracy and fully kinetic neutrals physics is therefore being developed. Prepared for US DOE by LLNL under Contract DE-AC52-07NA27344 and LDRD project 15-ERD-059, by PPPL under Contract DE-AC02-09CH11466, and supported in part by the U.S. DOE, OFES.

A comparison of acceleration methods for solving the neutron transport k-eigenvalue problem

NASA Astrophysics Data System (ADS)

Willert, Jeffrey; Park, H.; Knoll, D. A.

2014-10-01

Over the past several years a number of papers have been written describing modern techniques for numerically computing the dominant eigenvalue of the neutron transport criticality problem. These methods fall into two distinct categories. The first category of methods rewrite the multi-group k-eigenvalue problem as a nonlinear system of equations and solve the resulting system using either a Jacobian-Free Newton-Krylov (JFNK) method or Nonlinear Krylov Acceleration (NKA), a variant of Anderson Acceleration. These methods are generally successful in significantly reducing the number of transport sweeps required to compute the dominant eigenvalue. The second category of methods utilize Moment-Based Acceleration (or High-Order/Low-Order (HOLO) Acceleration). These methods solve a sequence of modified diffusion eigenvalue problems whose solutions converge to the solution of the original transport eigenvalue problem. This second class of methods is, in our experience, always superior to the first, as most of the computational work is eliminated by the acceleration from the LO diffusion system. In this paper, we review each of these methods. Our computational results support our claim that the choice of which nonlinear solver to use, JFNK or NKA, should be secondary. The primary computational savings result from the implementation of a HOLO algorithm. We display computational results for a series of challenging multi-dimensional test problems.

Solving quantum optimal control problems using Clebsch variables and Lin constraints

NASA Astrophysics Data System (ADS)

Delgado-Téllez, M.; Ibort, A.; Rodríguez de la Peña, T.

2018-01-01

Clebsch variables (and Lin constraints) are applied to the study of a class of optimal control problems for affine-controlled quantum systems. The optimal control problem will be modelled with controls defined on an auxiliary space where the dynamical group of the system acts freely. The reciprocity between both theories: the classical theory defined by the objective functional and the quantum system, is established by using a suitable version of Lagrange’s multipliers theorem and a geometrical interpretation of the constraints of the system as defining a subspace of horizontal curves in an associated bundle. It is shown how the solutions of the variational problem defined by the objective functional determine solutions of the quantum problem. Then a new way of obtaining explicit solutions for a family of optimal control problems for affine-controlled quantum systems (finite or infinite dimensional) is obtained. One of its main advantages, is the the use of Clebsch variables allows to compute such solutions from solutions of invariant problems that can often be computed explicitly. This procedure can be presented as an algorithm that can be applied to a large class of systems. Finally, some simple examples, spin control, a simple quantum Hamiltonian with an ‘Elroy beanie’ type classical model and a controlled one-dimensional quantum harmonic oscillator, illustrating the main features of the theory, will be discussed.

Face verification with balanced thresholds.

PubMed

Yan, Shuicheng; Xu, Dong; Tang, Xiaoou

2007-01-01

The process of face verification is guided by a pre-learned global threshold, which, however, is often inconsistent with class-specific optimal thresholds. It is, hence, beneficial to pursue a balance of the class-specific thresholds in the model-learning stage. In this paper, we present a new dimensionality reduction algorithm tailored to the verification task that ensures threshold balance. This is achieved by the following aspects. First, feasibility is guaranteed by employing an affine transformation matrix, instead of the conventional projection matrix, for dimensionality reduction, and, hence, we call the proposed algorithm threshold balanced transformation (TBT). Then, the affine transformation matrix, constrained as the product of an orthogonal matrix and a diagonal matrix, is optimized to improve the threshold balance and classification capability in an iterative manner. Unlike most algorithms for face verification which are directly transplanted from face identification literature, TBT is specifically designed for face verification and clarifies the intrinsic distinction between these two tasks. Experiments on three benchmark face databases demonstrate that TBT significantly outperforms the state-of-the-art subspace techniques for face verification.

Two-qubit logical operations in three quantum dots system.

PubMed

Łuczak, Jakub; Bułka, Bogdan R

2018-06-06

We consider a model of two interacting always-on, exchange-only qubits for which controlled phase (CPHASE), controlled NOT (CNOT), quantum Fourier transform (QFT) and SWAP operations can be implemented only in a few electrical pulses in a nanosecond time scale. Each qubit is built of three quantum dots (TQD) in a triangular geometry with three electron spins which are always kept coupled by exchange interactions only. The qubit states are encoded in a doublet subspace and are fully electrically controlled by a voltage applied to gate electrodes. The two qubit quantum gates are realized by short electrical pulses which change the triangular symmetry of TQD and switch on exchange interaction between the qubits. We found an optimal configuration to implement the CPHASE gate by a single pulse of the order 2.3 ns. Using this gate, in combination with single qubit operations, we searched for optimal conditions to perform the other gates: CNOT, QFT and SWAP. Our studies take into account environment effects and leakage processes as well. The results suggest that the system can be implemented for fault tolerant quantum computations.

Optimal SVM parameter selection for non-separable and unbalanced datasets.

PubMed

Jiang, Peng; Missoum, Samy; Chen, Zhao

2014-10-01

This article presents a study of three validation metrics used for the selection of optimal parameters of a support vector machine (SVM) classifier in the case of non-separable and unbalanced datasets. This situation is often encountered when the data is obtained experimentally or clinically. The three metrics selected in this work are the area under the ROC curve (AUC), accuracy, and balanced accuracy. These validation metrics are tested using computational data only, which enables the creation of fully separable sets of data. This way, non-separable datasets, representative of a real-world problem, can be created by projection onto a lower dimensional sub-space. The knowledge of the separable dataset, unknown in real-world problems, provides a reference to compare the three validation metrics using a quantity referred to as the "weighted likelihood". As an application example, the study investigates a classification model for hip fracture prediction. The data is obtained from a parameterized finite element model of a femur. The performance of the various validation metrics is studied for several levels of separability, ratios of unbalance, and training set sizes.

Deep Long-period Seismicity Beneath the Executive Committee Range, Marie Byrd Land, Antarctica, Studied Using Subspace Detection

NASA Astrophysics Data System (ADS)

Aster, R. C.; McMahon, N. D.; Myers, E. K.; Lough, A. C.

2015-12-01

Lough et al. (2014) first detected deep sub-icecap magmatic events beneath the Executive Committee Range volcanoes of Marie Byrd Land. Here, we extend the identification and analysis of these events in space and time utilizing subspace detection. Subspace detectors provide a highly effective methodology for studying events within seismic swarms that have similar moment tensor and Green's function characteristics and are particularly effective for identifying low signal-to-noise events. Marie Byrd Land (MBL) is an extremely remote continental region that is nearly completely covered by the West Antarctic Ice Sheet (WAIS). The southern extent of Marie Byrd Land lies within the West Antarctic Rift System (WARS), which includes the volcanic Executive Committee Range (ECR). The ECR shows north-to-south progression of volcanism across the WARS during the Holocene. In 2013, the POLENET/ANET seismic data identified two swarms of seismic activity in 2010 and 2011. These events have been interpreted as deep, long-period (DLP) earthquakes based on depth (25-40 km) and low frequency content. The DLP events in MBL lie beneath an inferred sub-WAIS volcanic edifice imaged with ice penetrating radar and have been interpreted as a present location of magmatic intrusion. The magmatic swarm activity in MBL provides a promising target for advanced subspace detection and temporal, spatial, and event size analysis of an extensive deep long period earthquake swarm using a remote seismographic network. We utilized a catalog of 1,370 traditionally identified DLP events to construct subspace detectors for the six nearest stations and analyzed two years of data spanning 2010-2011. Association of these detections into events resulted in an approximate ten-fold increase in number of locatable earthquakes. In addition to the two previously identified swarms during early 2010 and early 2011, we find sustained activity throughout the two years of study that includes several previously unidentified periods of heightened activity. Correlation with large global earthquakes suggests that the DLP activity is not sensitive to remote teleseismic triggering.

Reduced multiple empirical kernel learning machine.

PubMed

Wang, Zhe; Lu, MingZhe; Gao, Daqi

2015-02-01

Multiple kernel learning (MKL) is demonstrated to be flexible and effective in depicting heterogeneous data sources since MKL can introduce multiple kernels rather than a single fixed kernel into applications. However, MKL would get a high time and space complexity in contrast to single kernel learning, which is not expected in real-world applications. Meanwhile, it is known that the kernel mapping ways of MKL generally have two forms including implicit kernel mapping and empirical kernel mapping (EKM), where the latter is less attracted. In this paper, we focus on the MKL with the EKM, and propose a reduced multiple empirical kernel learning machine named RMEKLM for short. To the best of our knowledge, it is the first to reduce both time and space complexity of the MKL with EKM. Different from the existing MKL, the proposed RMEKLM adopts the Gauss Elimination technique to extract a set of feature vectors, which is validated that doing so does not lose much information of the original feature space. Then RMEKLM adopts the extracted feature vectors to span a reduced orthonormal subspace of the feature space, which is visualized in terms of the geometry structure. It can be demonstrated that the spanned subspace is isomorphic to the original feature space, which means that the dot product of two vectors in the original feature space is equal to that of the two corresponding vectors in the generated orthonormal subspace. More importantly, the proposed RMEKLM brings a simpler computation and meanwhile needs a less storage space, especially in the processing of testing. Finally, the experimental results show that RMEKLM owns a much efficient and effective performance in terms of both complexity and classification. The contributions of this paper can be given as follows: (1) by mapping the input space into an orthonormal subspace, the geometry of the generated subspace is visualized; (2) this paper first reduces both the time and space complexity of the EKM-based MKL; (3) this paper adopts the Gauss Elimination, one of the on-the-shelf techniques, to generate a basis of the original feature space, which is stable and efficient.

Eigenspace-based minimum variance beamformer combined with Wiener postfilter for medical ultrasound imaging.

PubMed

Zeng, Xing; Chen, Cheng; Wang, Yuanyuan

2012-12-01

In this paper, a new beamformer which combines the eigenspace-based minimum variance (ESBMV) beamformer with the Wiener postfilter is proposed for medical ultrasound imaging. The primary goal of this work is to further improve the medical ultrasound imaging quality on the basis of the ESBMV beamformer. In this method, we optimize the ESBMV weights with a Wiener postfilter. With the optimization of the Wiener postfilter, the output power of the new beamformer becomes closer to the actual signal power at the imaging point than the ESBMV beamformer. Different from the ordinary Wiener postfilter, the output signal and noise power needed in calculating the Wiener postfilter are estimated respectively by the orthogonal signal subspace and noise subspace constructed from the eigenstructure of the sample covariance matrix. We demonstrate the performance of the new beamformer when resolving point scatterers and cyst phantom using both simulated data and experimental data and compare it with the delay-and-sum (DAS), the minimum variance (MV) and the ESBMV beamformer. We use the full width at half maximum (FWHM) and the peak-side-lobe level (PSL) to quantify the performance of imaging resolution and the contrast ratio (CR) to quantify the performance of imaging contrast. The FWHM of the new beamformer is only 15%, 50% and 50% of those of the DAS, MV and ESBMV beamformer, while the PSL is 127.2dB, 115dB and 60dB lower. What is more, an improvement of 239.8%, 232.5% and 32.9% in CR using simulated data and an improvement of 814%, 1410.7% and 86.7% in CR using experimental data are achieved compared to the DAS, MV and ESBMV beamformer respectively. In addition, the effect of the sound speed error is investigated by artificially overestimating the speed used in calculating the propagation delay and the results show that the new beamformer provides better robustness against the sound speed errors. Therefore, the proposed beamformer offers a better performance than the DAS, MV and ESBMV beamformer, showing its potential in medical ultrasound imaging. Copyright © 2012 Elsevier B.V. All rights reserved.

Using task dynamics to quantify the affordances of throwing for long distance and accuracy.

PubMed

Wilson, Andrew D; Weightman, Andrew; Bingham, Geoffrey P; Zhu, Qin

2016-07-01

In 2 experiments, the current study explored how affordances structure throwing for long distance and accuracy. In Experiment 1, 10 expert throwers (from baseball, softball, and cricket) threw regulation tennis balls to hit a vertically oriented 4 ft × 4 ft target placed at each of 9 locations (3 distances × 3 heights). We measured their release parameters (angle, speed, and height) and showed that they scaled their throws in response to changes in the target's location. We then simulated the projectile motion of the ball and identified a continuous subspace of release parameters that produce hits to each target location. Each subspace describes the affordance of our target to be hit by a tennis ball moving in a projectile motion to the relevant location. The simulated affordance spaces showed how the release parameter combinations required for hits changed with changes in the target location. The experts tracked these changes in their performance and were successful in hitting the targets. We next tested unusual (horizontal) targets that generated correspondingly different affordance subspaces to determine whether the experts would track the affordance to generate successful hits. Do the experts perceive the affordance? They do. In Experiment 2, 5 cricketers threw to hit either vertically or horizontally oriented targets and successfully hit both, exhibiting release parameters located within the requisite affordance subspaces. We advocate a task dynamical approach to the study of affordances as properties of objects and events in the context of tasks as the future of research in this area. (PsycINFO Database Record (c) 2016 APA, all rights reserved).

Chebyshev polynomial filtered subspace iteration in the discontinuous Galerkin method for large-scale electronic structure calculations

DOE PAGES

Banerjee, Amartya S.; Lin, Lin; Hu, Wei; ...

2016-10-21

The Discontinuous Galerkin (DG) electronic structure method employs an adaptive local basis (ALB) set to solve the Kohn-Sham equations of density functional theory in a discontinuous Galerkin framework. The adaptive local basis is generated on-the-fly to capture the local material physics and can systematically attain chemical accuracy with only a few tens of degrees of freedom per atom. A central issue for large-scale calculations, however, is the computation of the electron density (and subsequently, ground state properties) from the discretized Hamiltonian in an efficient and scalable manner. We show in this work how Chebyshev polynomial filtered subspace iteration (CheFSI) canmore » be used to address this issue and push the envelope in large-scale materials simulations in a discontinuous Galerkin framework. We describe how the subspace filtering steps can be performed in an efficient and scalable manner using a two-dimensional parallelization scheme, thanks to the orthogonality of the DG basis set and block-sparse structure of the DG Hamiltonian matrix. The on-the-fly nature of the ALB functions requires additional care in carrying out the subspace iterations. We demonstrate the parallel scalability of the DG-CheFSI approach in calculations of large-scale twodimensional graphene sheets and bulk three-dimensional lithium-ion electrolyte systems. In conclusion, employing 55 296 computational cores, the time per self-consistent field iteration for a sample of the bulk 3D electrolyte containing 8586 atoms is 90 s, and the time for a graphene sheet containing 11 520 atoms is 75 s.« less

Subspace-based analysis of the ERT inverse problem

NASA Astrophysics Data System (ADS)

Ben Hadj Miled, Mohamed Khames; Miller, Eric L.

2004-05-01

In a previous work, we proposed a source-type formulation to the electrical resistance tomography (ERT) problem. Specifically, we showed that inhomogeneities in the medium can be viewed as secondary sources embedded in the homogeneous background medium and located at positions associated with variation in electrical conductivity. Assuming a piecewise constant conductivity distribution, the support of equivalent sources is equal to the boundary of the inhomogeneity. The estimation of the anomaly shape takes the form of an inverse source-type problem. In this paper, we explore the use of subspace methods to localize the secondary equivalent sources associated with discontinuities in the conductivity distribution. Our first alternative is the multiple signal classification (MUSIC) algorithm which is commonly used in the localization of multiple sources. The idea is to project a finite collection of plausible pole (or dipole) sources onto an estimated signal subspace and select those with largest correlations. In ERT, secondary sources are excited simultaneously but in different ways, i.e. with distinct amplitude patterns, depending on the locations and amplitudes of primary sources. If the number of receivers is "large enough", different source configurations can lead to a set of observation vectors that span the data subspace. However, since sources that are spatially close to each other have highly correlated signatures, seperation of such signals becomes very difficult in the presence of noise. To overcome this problem we consider iterative MUSIC algorithms like R-MUSIC and RAP-MUSIC. These recursive algorithms pose a computational burden as they require multiple large combinatorial searches. Results obtained with these algorithms using simulated data of different conductivity patterns are presented.

Correlational Neural Networks.

PubMed

Chandar, Sarath; Khapra, Mitesh M; Larochelle, Hugo; Ravindran, Balaraman

2016-02-01

Common representation learning (CRL), wherein different descriptions (or views) of the data are embedded in a common subspace, has been receiving a lot of attention recently. Two popular paradigms here are canonical correlation analysis (CCA)-based approaches and autoencoder (AE)-based approaches. CCA-based approaches learn a joint representation by maximizing correlation of the views when projected to the common subspace. AE-based methods learn a common representation by minimizing the error of reconstructing the two views. Each of these approaches has its own advantages and disadvantages. For example, while CCA-based approaches outperform AE-based approaches for the task of transfer learning, they are not as scalable as the latter. In this work, we propose an AE-based approach, correlational neural network (CorrNet), that explicitly maximizes correlation among the views when projected to the common subspace. Through a series of experiments, we demonstrate that the proposed CorrNet is better than AE and CCA with respect to its ability to learn correlated common representations. We employ CorrNet for several cross-language tasks and show that the representations learned using it perform better than the ones learned using other state-of-the-art approaches.

Non-Cooperative Target Recognition by Means of Singular Value Decomposition Applied to Radar High Resolution Range Profiles †

PubMed Central

López-Rodríguez, Patricia; Escot-Bocanegra, David; Fernández-Recio, Raúl; Bravo, Ignacio

2015-01-01

Radar high resolution range profiles are widely used among the target recognition community for the detection and identification of flying targets. In this paper, singular value decomposition is applied to extract the relevant information and to model each aircraft as a subspace. The identification algorithm is based on angle between subspaces and takes place in a transformed domain. In order to have a wide database of radar signatures and evaluate the performance, simulated range profiles are used as the recognition database while the test samples comprise data of actual range profiles collected in a measurement campaign. Thanks to the modeling of aircraft as subspaces only the valuable information of each target is used in the recognition process. Thus, one of the main advantages of using singular value decomposition, is that it helps to overcome the notable dissimilarities found in the shape and signal-to-noise ratio between actual and simulated profiles due to their difference in nature. Despite these differences, the recognition rates obtained with the algorithm are quite promising. PMID:25551484

Fast and robust reconstruction for fluorescence molecular tomography via a sparsity adaptive subspace pursuit method.

PubMed

Ye, Jinzuo; Chi, Chongwei; Xue, Zhenwen; Wu, Ping; An, Yu; Xu, Han; Zhang, Shuang; Tian, Jie

2014-02-01

Fluorescence molecular tomography (FMT), as a promising imaging modality, can three-dimensionally locate the specific tumor position in small animals. However, it remains challenging for effective and robust reconstruction of fluorescent probe distribution in animals. In this paper, we present a novel method based on sparsity adaptive subspace pursuit (SASP) for FMT reconstruction. Some innovative strategies including subspace projection, the bottom-up sparsity adaptive approach, and backtracking technique are associated with the SASP method, which guarantees the accuracy, efficiency, and robustness for FMT reconstruction. Three numerical experiments based on a mouse-mimicking heterogeneous phantom have been performed to validate the feasibility of the SASP method. The results show that the proposed SASP method can achieve satisfactory source localization with a bias less than 1mm; the efficiency of the method is much faster than mainstream reconstruction methods; and this approach is robust even under quite ill-posed condition. Furthermore, we have applied this method to an in vivo mouse model, and the results demonstrate the feasibility of the practical FMT application with the SASP method.

Single and multiple object tracking using log-euclidean Riemannian subspace and block-division appearance model.

PubMed

Hu, Weiming; Li, Xi; Luo, Wenhan; Zhang, Xiaoqin; Maybank, Stephen; Zhang, Zhongfei

2012-12-01

Object appearance modeling is crucial for tracking objects, especially in videos captured by nonstationary cameras and for reasoning about occlusions between multiple moving objects. Based on the log-euclidean Riemannian metric on symmetric positive definite matrices, we propose an incremental log-euclidean Riemannian subspace learning algorithm in which covariance matrices of image features are mapped into a vector space with the log-euclidean Riemannian metric. Based on the subspace learning algorithm, we develop a log-euclidean block-division appearance model which captures both the global and local spatial layout information about object appearances. Single object tracking and multi-object tracking with occlusion reasoning are then achieved by particle filtering-based Bayesian state inference. During tracking, incremental updating of the log-euclidean block-division appearance model captures changes in object appearance. For multi-object tracking, the appearance models of the objects can be updated even in the presence of occlusions. Experimental results demonstrate that the proposed tracking algorithm obtains more accurate results than six state-of-the-art tracking algorithms.

3D deformable image matching: a hierarchical approach over nested subspaces

NASA Astrophysics Data System (ADS)

Musse, Olivier; Heitz, Fabrice; Armspach, Jean-Paul

2000-06-01

This paper presents a fast hierarchical method to perform dense deformable inter-subject matching of 3D MR Images of the brain. To recover the complex morphological variations in neuroanatomy, a hierarchy of 3D deformations fields is estimated, by minimizing a global energy function over a sequence of nested subspaces. The nested subspaces, generated from a single scaling function, consist of deformation fields constrained at different scales. The highly non linear energy function, describing the interactions between the target and the source images, is minimized using a coarse-to-fine continuation strategy over this hierarchy. The resulting deformable matching method shows low sensitivity to local minima and is able to track large non-linear deformations, with moderate computational load. The performances of the approach are assessed both on simulated 3D transformations and on a real data base of 3D brain MR Images from different individuals. The method has shown efficient in putting into correspondence the principle anatomical structures of the brain. An application to atlas-based MRI segmentation, by transporting a labeled segmentation map on patient data, is also presented.

Multi-subject subspace alignment for non-stationary EEG-based emotion recognition.

PubMed

Chai, Xin; Wang, Qisong; Zhao, Yongping; Liu, Xin; Liu, Dan; Bai, Ou

2018-01-01

Emotion recognition based on EEG signals is a critical component in Human-Machine collaborative environments and psychiatric health diagnoses. However, EEG patterns have been found to vary across subjects due to user fatigue, different electrode placements, and varying impedances, etc. This problem renders the performance of EEG-based emotion recognition highly specific to subjects, requiring time-consuming individual calibration sessions to adapt an emotion recognition system to new subjects. Recently, domain adaptation (DA) strategies have achieved a great deal success in dealing with inter-subject adaptation. However, most of them can only adapt one subject to another subject, which limits their applicability in real-world scenarios. To alleviate this issue, a novel unsupervised DA strategy called Multi-Subject Subspace Alignment (MSSA) is proposed in this paper, which takes advantage of subspace alignment solution and multi-subject information in a unified framework to build personalized models without user-specific labeled data. Experiments on a public EEG dataset known as SEED verify the effectiveness and superiority of MSSA over other state of the art methods for dealing with multi-subject scenarios.

Moving Sound Source Localization Based on Sequential Subspace Estimation in Actual Room Environments

NASA Astrophysics Data System (ADS)

Tsuji, Daisuke; Suyama, Kenji

This paper presents a novel method for moving sound source localization and its performance evaluation in actual room environments. The method is based on the MUSIC (MUltiple SIgnal Classification) which is one of the most high resolution localization methods. When using the MUSIC, a computation of eigenvectors of correlation matrix is required for the estimation. It needs often a high computational costs. Especially, in the situation of moving source, it becomes a crucial drawback because the estimation must be conducted at every the observation time. Moreover, since the correlation matrix varies its characteristics due to the spatial-temporal non-stationarity, the matrix have to be estimated using only a few observed samples. It makes the estimation accuracy degraded. In this paper, the PAST (Projection Approximation Subspace Tracking) is applied for sequentially estimating the eigenvectors spanning the subspace. In the PAST, the eigen-decomposition is not required, and therefore it is possible to reduce the computational costs. Several experimental results in the actual room environments are shown to present the superior performance of the proposed method.

A Tensor-Based Subspace Approach for Bistatic MIMO Radar in Spatial Colored Noise

PubMed Central

Wang, Xianpeng; Wang, Wei; Li, Xin; Wang, Junxiang

2014-01-01

In this paper, a new tensor-based subspace approach is proposed to estimate the direction of departure (DOD) and the direction of arrival (DOA) for bistatic multiple-input multiple-output (MIMO) radar in the presence of spatial colored noise. Firstly, the received signals can be packed into a third-order measurement tensor by exploiting the inherent structure of the matched filter. Then, the measurement tensor can be divided into two sub-tensors, and a cross-covariance tensor is formulated to eliminate the spatial colored noise. Finally, the signal subspace is constructed by utilizing the higher-order singular value decomposition (HOSVD) of the cross-covariance tensor, and the DOD and DOA can be obtained through the estimation of signal parameters via rotational invariance technique (ESPRIT) algorithm, which are paired automatically. Since the multidimensional inherent structure and the cross-covariance tensor technique are used, the proposed method provides better angle estimation performance than Chen's method, the ESPRIT algorithm and the multi-SVD method. Simulation results confirm the effectiveness and the advantage of the proposed method. PMID:24573313

Beamforming using subspace estimation from a diagonally averaged sample covariance.

PubMed

Quijano, Jorge E; Zurk, Lisa M

2017-08-01

The potential benefit of a large-aperture sonar array for high resolution target localization is often challenged by the lack of sufficient data required for adaptive beamforming. This paper introduces a Toeplitz-constrained estimator of the clairvoyant signal covariance matrix corresponding to multiple far-field targets embedded in background isotropic noise. The estimator is obtained by averaging along subdiagonals of the sample covariance matrix, followed by covariance extrapolation using the method of maximum entropy. The sample covariance is computed from limited data snapshots, a situation commonly encountered with large-aperture arrays in environments characterized by short periods of local stationarity. Eigenvectors computed from the Toeplitz-constrained covariance are used to construct signal-subspace projector matrices, which are shown to reduce background noise and improve detection of closely spaced targets when applied to subspace beamforming. Monte Carlo simulations corresponding to increasing array aperture suggest convergence of the proposed projector to the clairvoyant signal projector, thereby outperforming the classic projector obtained from the sample eigenvectors. Beamforming performance of the proposed method is analyzed using simulated data, as well as experimental data from the Shallow Water Array Performance experiment.

Exploiting active subspaces to quantify uncertainty in the numerical simulation of the HyShot II scramjet

NASA Astrophysics Data System (ADS)

Constantine, P. G.; Emory, M.; Larsson, J.; Iaccarino, G.

2015-12-01

We present a computational analysis of the reactive flow in a hypersonic scramjet engine with focus on effects of uncertainties in the operating conditions. We employ a novel methodology based on active subspaces to characterize the effects of the input uncertainty on the scramjet performance. The active subspace identifies one-dimensional structure in the map from simulation inputs to quantity of interest that allows us to reparameterize the operating conditions; instead of seven physical parameters, we can use a single derived active variable. This dimension reduction enables otherwise infeasible uncertainty quantification, considering the simulation cost of roughly 9500 CPU-hours per run. For two values of the fuel injection rate, we use a total of 68 simulations to (i) identify the parameters that contribute the most to the variation in the output quantity of interest, (ii) estimate upper and lower bounds on the quantity of interest, (iii) classify sets of operating conditions as safe or unsafe corresponding to a threshold on the output quantity of interest, and (iv) estimate a cumulative distribution function for the quantity of interest.

Stochastic subspace identification for operational modal analysis of an arch bridge

NASA Astrophysics Data System (ADS)

Loh, Chin-Hsiung; Chen, Ming-Che; Chao, Shu-Hsien

2012-04-01

In this paer the application of output-only system identification technique, known as Stochastic Subspace Identification (SSI) algorithms, for civil infrastructures is carried out. The ability of covariance driven stochastic subspace identification (SSI-COV) was proved through the analysis of the ambient data of an arch bridge under operational condition. A newly developed signal processing technique, Singular Spectrum analysis (SSA), capable to smooth noisy signals, is adopted for pre-processing the recorded data before the SSI. The conjunction of SSA and SSICOV provides a useful criterion for the system order determination. With the aim of estimating accurate modal parameters of the structure in off-line analysis, a stabilization diagram is constructed by plotting the identified poles of the system with increasing the size of data Hankel matrix. Identification task of a real structure, Guandu Bridge, is carried out to identify the system natural frequencies and mode shapes. The uncertainty of the identified model parameters from output-only measurement of the bridge under operation condition, such as temperature and traffic loading conditions, is discussed.

A tensor-based subspace approach for bistatic MIMO radar in spatial colored noise.

PubMed

Wang, Xianpeng; Wang, Wei; Li, Xin; Wang, Junxiang

2014-02-25

In this paper, a new tensor-based subspace approach is proposed to estimate the direction of departure (DOD) and the direction of arrival (DOA) for bistatic multiple-input multiple-output (MIMO) radar in the presence of spatial colored noise. Firstly, the received signals can be packed into a third-order measurement tensor by exploiting the inherent structure of the matched filter. Then, the measurement tensor can be divided into two sub-tensors, and a cross-covariance tensor is formulated to eliminate the spatial colored noise. Finally, the signal subspace is constructed by utilizing the higher-order singular value decomposition (HOSVD) of the cross-covariance tensor, and the DOD and DOA can be obtained through the estimation of signal parameters via rotational invariance technique (ESPRIT) algorithm, which are paired automatically. Since the multidimensional inherent structure and the cross-covariance tensor technique are used, the proposed method provides better angle estimation performance than Chen's method, the ESPRIT algorithm and the multi-SVD method. Simulation results confirm the effectiveness and the advantage of the proposed method.

CLAss-Specific Subspace Kernel Representations and Adaptive Margin Slack Minimization for Large Scale Classification.

PubMed

Yu, Yinan; Diamantaras, Konstantinos I; McKelvey, Tomas; Kung, Sun-Yuan

2018-02-01

In kernel-based classification models, given limited computational power and storage capacity, operations over the full kernel matrix becomes prohibitive. In this paper, we propose a new supervised learning framework using kernel models for sequential data processing. The framework is based on two components that both aim at enhancing the classification capability with a subset selection scheme. The first part is a subspace projection technique in the reproducing kernel Hilbert space using a CLAss-specific Subspace Kernel representation for kernel approximation. In the second part, we propose a novel structural risk minimization algorithm called the adaptive margin slack minimization to iteratively improve the classification accuracy by an adaptive data selection. We motivate each part separately, and then integrate them into learning frameworks for large scale data. We propose two such frameworks: the memory efficient sequential processing for sequential data processing and the parallelized sequential processing for distributed computing with sequential data acquisition. We test our methods on several benchmark data sets and compared with the state-of-the-art techniques to verify the validity of the proposed techniques.

Development of Subspace-based Hybrid Monte Carlo-Deterministric Algorithms for Reactor Physics Calculations

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

Abdel-Khalik, Hany S.; Zhang, Qiong

2014-05-20

The development of hybrid Monte-Carlo-Deterministic (MC-DT) approaches, taking place over the past few decades, have primarily focused on shielding and detection applications where the analysis requires a small number of responses, i.e. at the detector locations(s). This work further develops a recently introduced global variance reduction approach, denoted by the SUBSPACE approach is designed to allow the use of MC simulation, currently limited to benchmarking calculations, for routine engineering calculations. By way of demonstration, the SUBSPACE approach is applied to assembly level calculations used to generate the few-group homogenized cross-sections. These models are typically expensive and need to be executedmore » in the order of 10 3 - 10 5 times to properly characterize the few-group cross-sections for downstream core-wide calculations. Applicability to k-eigenvalue core-wide models is also demonstrated in this work. Given the favorable results obtained in this work, we believe the applicability of the MC method for reactor analysis calculations could be realized in the near future.« less

Optimal sensor placement for spatial lattice structure based on genetic algorithms

NASA Astrophysics Data System (ADS)

Liu, Wei; Gao, Wei-cheng; Sun, Yi; Xu, Min-jian

2008-10-01

Optimal sensor placement technique plays a key role in structural health monitoring of spatial lattice structures. This paper considers the problem of locating sensors on a spatial lattice structure with the aim of maximizing the data information so that structural dynamic behavior can be fully characterized. Based on the criterion of optimal sensor placement for modal test, an improved genetic algorithm is introduced to find the optimal placement of sensors. The modal strain energy (MSE) and the modal assurance criterion (MAC) have been taken as the fitness function, respectively, so that three placement designs were produced. The decimal two-dimension array coding method instead of binary coding method is proposed to code the solution. Forced mutation operator is introduced when the identical genes appear via the crossover procedure. A computational simulation of a 12-bay plain truss model has been implemented to demonstrate the feasibility of the three optimal algorithms above. The obtained optimal sensor placements using the improved genetic algorithm are compared with those gained by exiting genetic algorithm using the binary coding method. Further the comparison criterion based on the mean square error between the finite element method (FEM) mode shapes and the Guyan expansion mode shapes identified by data-driven stochastic subspace identification (SSI-DATA) method are employed to demonstrate the advantage of the different fitness function. The results showed that some innovations in genetic algorithm proposed in this paper can enlarge the genes storage and improve the convergence of the algorithm. More importantly, the three optimal sensor placement methods can all provide the reliable results and identify the vibration characteristics of the 12-bay plain truss model accurately.

Efficient parallel implicit methods for rotary-wing aerodynamics calculations

NASA Astrophysics Data System (ADS)

Wissink, Andrew M.

Euler/Navier-Stokes Computational Fluid Dynamics (CFD) methods are commonly used for prediction of the aerodynamics and aeroacoustics of modern rotary-wing aircraft. However, their widespread application to large complex problems is limited lack of adequate computing power. Parallel processing offers the potential for dramatic increases in computing power, but most conventional implicit solution methods are inefficient in parallel and new techniques must be adopted to realize its potential. This work proposes alternative implicit schemes for Euler/Navier-Stokes rotary-wing calculations which are robust and efficient in parallel. The first part of this work proposes an efficient parallelizable modification of the Lower Upper-Symmetric Gauss Seidel (LU-SGS) implicit operator used in the well-known Transonic Unsteady Rotor Navier Stokes (TURNS) code. The new hybrid LU-SGS scheme couples a point-relaxation approach of the Data Parallel-Lower Upper Relaxation (DP-LUR) algorithm for inter-processor communication with the Symmetric Gauss Seidel algorithm of LU-SGS for on-processor computations. With the modified operator, TURNS is implemented in parallel using Message Passing Interface (MPI) for communication. Numerical performance and parallel efficiency are evaluated on the IBM SP2 and Thinking Machines CM-5 multi-processors for a variety of steady-state and unsteady test cases. The hybrid LU-SGS scheme maintains the numerical performance of the original LU-SGS algorithm in all cases and shows a good degree of parallel efficiency. It experiences a higher degree of robustness than DP-LUR for third-order upwind solutions. The second part of this work examines use of Krylov subspace iterative solvers for the nonlinear CFD solutions. The hybrid LU-SGS scheme is used as a parallelizable preconditioner. Two iterative methods are tested, Generalized Minimum Residual (GMRES) and Orthogonal s-Step Generalized Conjugate Residual (OSGCR). The Newton method demonstrates good parallel performance on the IBM SP2, with OS-GCR giving slightly better performance than GMRES on large numbers of processors. For steady and quasi-steady calculations, the convergence rate is accelerated but the overall solution time remains about the same as the standard hybrid LU-SGS scheme. For unsteady calculations, however, the Newton method maintains a higher degree of time-accuracy which allows tbe use of larger timesteps and results in CPU savings of 20-35%.

Universal non-adiabatic holonomic quantum computation in decoherence-free subspaces with quantum dots inside a cavity

NASA Astrophysics Data System (ADS)

Liu, Jun; Dong, Ping; Zhou, Jian; Cao, Zhuo-Liang

2017-05-01

A scheme for implementing the non-adiabatic holonomic quantum computation in decoherence-free subspaces is proposed with the interactions between a microcavity and quantum dots. A universal set of quantum gates can be constructed on the encoded logical qubits with high fidelities. The current scheme can suppress both local and collective noises, which is very important for achieving universal quantum computation. Discussions about the gate fidelities with the experimental parameters show that our schemes can be implemented in current experimental technology. Therefore, our scenario offers a method for universal and robust solid-state quantum computation.

Computing interior eigenvalues of nonsymmetric matrices: application to three-dimensional metamaterial composites.

PubMed

Terao, Takamichi

2010-08-01

We propose a numerical method to calculate interior eigenvalues and corresponding eigenvectors for nonsymmetric matrices. Based on the subspace projection technique onto expanded Ritz subspace, it becomes possible to obtain eigenvalues and eigenvectors with sufficiently high precision. This method overcomes the difficulties of the traditional nonsymmetric Lanczos algorithm, and improves the accuracy of the obtained interior eigenvalues and eigenvectors. Using this algorithm, we investigate three-dimensional metamaterial composites consisting of positive and negative refractive index materials, and it is demonstrated that the finite-difference frequency-domain algorithm is applicable to analyze these metamaterial composites.

Subspace techniques to remove artifacts from EEG: a quantitative analysis.

PubMed

Teixeira, A R; Tome, A M; Lang, E W; Martins da Silva, A

2008-01-01

In this work we discuss and apply projective subspace techniques to both multichannel as well as single channel recordings. The single-channel approach is based on singular spectrum analysis(SSA) and the multichannel approach uses the extended infomax algorithm which is implemented in the opensource toolbox EEGLAB. Both approaches will be evaluated using artificial mixtures of a set of selected EEG signals. The latter were selected visually to contain as the dominant activity one of the characteristic bands of an electroencephalogram (EEG). The evaluation is performed both in the time and frequency domain by using correlation coefficients and coherence function, respectively.

Scalable Methods for Uncertainty Quantification, Data Assimilation and Target Accuracy Assessment for Multi-Physics Advanced Simulation of Light Water Reactors

NASA Astrophysics Data System (ADS)

Khuwaileh, Bassam

High fidelity simulation of nuclear reactors entails large scale applications characterized with high dimensionality and tremendous complexity where various physics models are integrated in the form of coupled models (e.g. neutronic with thermal-hydraulic feedback). Each of the coupled modules represents a high fidelity formulation of the first principles governing the physics of interest. Therefore, new developments in high fidelity multi-physics simulation and the corresponding sensitivity/uncertainty quantification analysis are paramount to the development and competitiveness of reactors achieved through enhanced understanding of the design and safety margins. Accordingly, this dissertation introduces efficient and scalable algorithms for performing efficient Uncertainty Quantification (UQ), Data Assimilation (DA) and Target Accuracy Assessment (TAA) for large scale, multi-physics reactor design and safety problems. This dissertation builds upon previous efforts for adaptive core simulation and reduced order modeling algorithms and extends these efforts towards coupled multi-physics models with feedback. The core idea is to recast the reactor physics analysis in terms of reduced order models. This can be achieved via identifying the important/influential degrees of freedom (DoF) via the subspace analysis, such that the required analysis can be recast by considering the important DoF only. In this dissertation, efficient algorithms for lower dimensional subspace construction have been developed for single physics and multi-physics applications with feedback. Then the reduced subspace is used to solve realistic, large scale forward (UQ) and inverse problems (DA and TAA). Once the elite set of DoF is determined, the uncertainty/sensitivity/target accuracy assessment and data assimilation analysis can be performed accurately and efficiently for large scale, high dimensional multi-physics nuclear engineering applications. Hence, in this work a Karhunen-Loeve (KL) based algorithm previously developed to quantify the uncertainty for single physics models is extended for large scale multi-physics coupled problems with feedback effect. Moreover, a non-linear surrogate based UQ approach is developed, used and compared to performance of the KL approach and brute force Monte Carlo (MC) approach. On the other hand, an efficient Data Assimilation (DA) algorithm is developed to assess information about model's parameters: nuclear data cross-sections and thermal-hydraulics parameters. Two improvements are introduced in order to perform DA on the high dimensional problems. First, a goal-oriented surrogate model can be used to replace the original models in the depletion sequence (MPACT -- COBRA-TF - ORIGEN). Second, approximating the complex and high dimensional solution space with a lower dimensional subspace makes the sampling process necessary for DA possible for high dimensional problems. Moreover, safety analysis and design optimization depend on the accurate prediction of various reactor attributes. Predictions can be enhanced by reducing the uncertainty associated with the attributes of interest. Accordingly, an inverse problem can be defined and solved to assess the contributions from sources of uncertainty; and experimental effort can be subsequently directed to further improve the uncertainty associated with these sources. In this dissertation a subspace-based gradient-free and nonlinear algorithm for inverse uncertainty quantification namely the Target Accuracy Assessment (TAA) has been developed and tested. The ideas proposed in this dissertation were first validated using lattice physics applications simulated using SCALE6.1 package (Pressurized Water Reactor (PWR) and Boiling Water Reactor (BWR) lattice models). Ultimately, the algorithms proposed her were applied to perform UQ and DA for assembly level (CASL progression problem number 6) and core wide problems representing Watts Bar Nuclear 1 (WBN1) for cycle 1 of depletion (CASL Progression Problem Number 9) modeled via simulated using VERA-CS which consists of several multi-physics coupled models. The analysis and algorithms developed in this dissertation were encoded and implemented in a newly developed tool kit algorithms for Reduced Order Modeling based Uncertainty/Sensitivity Estimator (ROMUSE).

Application of reduced order modeling techniques to problems in heat conduction, isoelectric focusing and differential algebraic equations

NASA Astrophysics Data System (ADS)

Mathai, Pramod P.

This thesis focuses on applying and augmenting 'Reduced Order Modeling' (ROM) techniques to large scale problems. ROM refers to the set of mathematical techniques that are used to reduce the computational expense of conventional modeling techniques, like finite element and finite difference methods, while minimizing the loss of accuracy that typically accompanies such a reduction. The first problem that we address pertains to the prediction of the level of heat dissipation in electronic and MEMS devices. With the ever decreasing feature sizes in electronic devices, and the accompanied rise in Joule heating, the electronics industry has, since the 1990s, identified a clear need for computationally cheap heat transfer modeling techniques that can be incorporated along with the electronic design process. We demonstrate how one can create reduced order models for simulating heat conduction in individual components that constitute an idealized electronic device. The reduced order models are created using Krylov Subspace Techniques (KST). We introduce a novel 'plug and play' approach, based on the small gain theorem in control theory, to interconnect these component reduced order models (according to the device architecture) to reliably and cheaply replicate whole device behavior. The final aim is to have this technique available commercially as a computationally cheap and reliable option that enables a designer to optimize for heat dissipation among competing VLSI architectures. Another place where model reduction is crucial to better design is Isoelectric Focusing (IEF) - the second problem in this thesis - which is a popular technique that is used to separate minute amounts of proteins from the other constituents that are present in a typical biological tissue sample. Fundamental questions about how to design IEF experiments still remain because of the high dimensional and highly nonlinear nature of the differential equations that describe the IEF process as well as the uncertainty in the parameters of the differential equations. There is a clear need to design better experiments for IEF without the current overhead of expensive chemicals and labor. We show how with a simpler modeling of the underlying chemistry, we can still achieve the accuracy that has been achieved in existing literature for modeling small ranges of pH (hydrogen ion concentration) in IEF, but with far less computational time. We investigate a further reduction of time by modeling the IEF problem using the Proper Orthogonal Decomposition (POD) technique and show why POD may not be sufficient due to the underlying constraints. The final problem that we address in this thesis addresses a certain class of dynamics with high stiffness - in particular, differential algebraic equations. With the help of simple examples, we show how the traditional POD procedure will fail to model certain high stiffness problems due to a particular behavior of the vector field which we will denote as twist. We further show how a novel augmentation to the traditional POD algorithm can model-reduce problems with twist in a computationally cheap manner without any additional data requirements.

Towards a generalized computational fluid dynamics technique for all Mach numbers

NASA Technical Reports Server (NTRS)

Walters, R. W.; Slack, D. C.; Godfrey, A. G.

1993-01-01

Currently there exists no single unified approach for efficiently and accurately solving computational fluid dynamics (CFD) problems across the Mach number regime, from truly low speed incompressible flows to hypersonic speeds. There are several CFD codes that have evolved into sophisticated prediction tools with a wide variety of features including multiblock capabilities, generalized chemistry and thermodynamics models among other features. However, as these codes evolve, the demand placed on the end user also increases simply because of the myriad of features that are incorporated into these codes. In order for a user to be able to solve a wide range of problems, several codes may be needed requiring the user to be familiar with the intricacies of each code and their rather complicated input files. Moreover, the cost of training users and maintaining several codes becomes prohibitive. The objective of the current work is to extend the compressible, characteristic-based, thermochemical nonequilibrium Navier-Stokes code GASP to very low speed flows and simultaneously improve convergence at all speeds. Before this work began, the practical speed range of GASP was Mach numbers on the order of 0.1 and higher. In addition, a number of new techniques have been developed for more accurate physical and numerical modeling. The primary focus has been on the development of optimal preconditioning techniques for the Euler and the Navier-Stokes equations with general finite-rate chemistry models and both equilibrium and nonequilibrium thermodynamics models. We began with the work of Van Leer, Lee, and Roe for inviscid, one-dimensional perfect gases and extended their approach to include three-dimensional reacting flows. The basic steps required to accomplish this task were a transformation to stream-aligned coordinates, the formulation of the preconditioning matrix, incorporation into both explicit and implicit temporal integration schemes, and modification of the numerical flux formulae. In addition, we improved the convergence rate of the implicit time integration schemes in GASP through the use of inner iteration strategies and the use of the GMRES (General Minimized Resisual) which belongs to the class of algorithms referred to as Krylov subspace iteration. Finally, we significantly improved the practical utility of GASP through the addition of mesh sequencing, a technique in which computations begin on a coarse grid and get interpolated onto successively finer grids. The fluid dynamic problems of interest to the propulsion community involve complex flow physics spanning different velocity regimes and possibly involving chemical reactions. This class of problems results in widely disparate time scales causing numerical stiffness. Even in the absence of chemical reactions, eigenvalue stiffness manifests itself at transonic and very low speed flows which can be quantified by the large condition number of the system and evidenced by slow convergence rates. This results in the need for thorough numerical analysis and subsequent implementation of sophisticated numerical techniques for these difficult yet practical problems. As a result of this work, we have been able to extend the range of applicability of compressible codes to very low speed inviscid flows (M = .001) and reacting flows.

The Role of High-Dimensional Diffusive Search, Stabilization, and Frustration in Protein Folding

PubMed Central

Rimratchada, Supreecha; McLeish, Tom C.B.; Radford, Sheena E.; Paci, Emanuele

2014-01-01

Proteins are polymeric molecules with many degrees of conformational freedom whose internal energetic interactions are typically screened to small distances. Therefore, in the high-dimensional conformation space of a protein, the energy landscape is locally relatively flat, in contrast to low-dimensional representations, where, because of the induced entropic contribution to the full free energy, it appears funnel-like. Proteins explore the conformation space by searching these flat subspaces to find a narrow energetic alley that we call a hypergutter and then explore the next, lower-dimensional, subspace. Such a framework provides an effective representation of the energy landscape and folding kinetics that does justice to the essential characteristic of high-dimensionality of the search-space. It also illuminates the important role of nonnative interactions in defining folding pathways. This principle is here illustrated using a coarse-grained model of a family of three-helix bundle proteins whose conformations, once secondary structure has formed, can be defined by six rotational degrees of freedom. Two folding mechanisms are possible, one of which involves an intermediate. The stabilization of intermediate subspaces (or states in low-dimensional projection) in protein folding can either speed up or slow down the folding rate depending on the amount of native and nonnative contacts made in those subspaces. The folding rate increases due to reduced-dimension pathways arising from the mere presence of intermediate states, but decreases if the contacts in the intermediate are very stable and introduce sizeable topological or energetic frustration that needs to be overcome. Remarkably, the hypergutter framework, although depending on just a few physically meaningful parameters, can reproduce all the types of experimentally observed curvature in chevron plots for realizations of this fold. PMID:24739172

Margin-Wide Earthquake Subspace Scanning Along the Cascadia Subduction Zone Using the Cascadia Initiative Amphibious Dataset

NASA Astrophysics Data System (ADS)

Morton, E.; Bilek, S. L.; Rowe, C. A.

2017-12-01

Understanding the spatial extent and behavior of the interplate contact in the Cascadia Subduction Zone (CSZ) may prove pivotal to preparation for future great earthquakes, such as the M9 event of 1700. Current and historic seismic catalogs are limited in their integrity by their short duration, given the recurrence rate of great earthquakes, and by their rather high magnitude of completeness for the interplate seismic zone, due to its offshore distance from these land-based networks. This issue is addressed via the 2011-2015 Cascadia Initiative (CI) amphibious seismic array deployment, which combined coastal land seismometers with more than 60 ocean-bottom seismometers (OBS) situated directly above the presumed plate interface. We search the CI dataset for small, previously undetected interplate earthquakes to identify seismic patches on the megathrust. Using the automated subspace detection method, we search for previously undetected events. Our subspace comprises eigenvectors derived from CI OBS and on-land waveforms extracted for existing catalog events that appear to have occurred on the plate interface. Previous work focused on analysis of two repeating event clusters off the coast of Oregon spanning all 4 years of deployment. Here we expand earlier results to include detection and location analysis to the entire CSZ margin during the first year of CI deployment, with more than 200 new events detected for the central portion of the margin. Template events used for subspace scanning primarily occurred beneath the land surface along the coast, at the downdip edge of modeled high slip patches for the 1700 event, with most concentrated at the northwestern edge of the Olympic Peninsula.

Updating Hawaii Seismicity Catalogs with Systematic Relocations and Subspace Detectors

NASA Astrophysics Data System (ADS)

Okubo, P.; Benz, H.; Matoza, R. S.; Thelen, W. A.

2015-12-01

We continue the systematic relocation of seismicity recorded in Hawai`i by the United States Geological Survey's (USGS) Hawaiian Volcano Observatory (HVO), with interests in adding to the products derived from the relocated seismicity catalogs published by Matoza et al., (2013, 2014). Another goal of this effort is updating the systematically relocated HVO catalog since 2009, when earthquake cataloging at HVO was migrated to the USGS Advanced National Seismic System Quake Management Software (AQMS) systems. To complement the relocation analyses of the catalogs generated from traditional STA/LTA event-triggered and analyst-reviewed approaches, we are also experimenting with subspace detection of events at Kilauea as a means to augment AQMS procedures for cataloging seismicity to lower magnitudes and during episodes of elevated volcanic activity. Our earlier catalog relocations have demonstrated the ability to define correlated or repeating families of earthquakes and provide more detailed definition of seismogenic structures, as well as the capability for improved automatic identification of diverse volcanic seismic sources. Subspace detectors have been successfully applied to cataloging seismicity in situations of low seismic signal-to-noise and have significantly increased catalog sensitivity to lower magnitude thresholds. We anticipate similar improvements using event subspace detections and cataloging of volcanic seismicity that include improved discrimination among not only evolving earthquake sequences but also diverse volcanic seismic source processes. Matoza et al., 2013, Systematic relocation of seismicity on Hawai`i Island from 1992 to 2009 using waveform cross correlation and cluster analysis, J. Geophys. Res., 118, 2275-2288, doi:10.1002/jgrb.580189 Matoza et al., 2014, High-precision relocation of long-period events beneath the summit region of Kīlauea Volcano, Hawai`i, from 1986 to 2009, Geophys. Res. Lett., 41, 3413-3421, doi:10.1002/2014GL059819

Symmetry properties of the configuration interaction space in relation to one- and two-particle operators: The splitting theorem

NASA Astrophysics Data System (ADS)

Živković, Tomislav P.

1984-09-01

The configuration interaction (CI) space Xn built upon n electrons moving over 2n orthonormalized orbitals χi is considered. It is shown that the space Xn splits into two complementary subspaces X+n and X-n having special properties: each state Ψ+∈X+n and Ψ-∈X-n is ``alternantlike'' in the sense that it has a uniform charge density distribution over all orbitals χi and vanishing bond-orders between all orbitals of the same parity. In addition, matrix elements Γ(ij;kl) of a two-particle density matrix vanish whenever four distinct orbitals are involved and there is an odd number of orbitals of the same parity. Further, Γ(ij;lj)=γ(il)/4 ( j≠i,l), whenever (i) and (l) are of different parity. This last relation shows the connection between a two-particle (Γ) and a one-particle (γ) density matrix. ``Elementary'' alternant and antialternant operators are identified. These operators connect either only the states in the same subspace, or only the states in different subspaces, and each one- and two-particle symmetric operator can be represented by their linear combination. Alternant Hamiltonians, which can be represented as linear combinations of elementary alternant operators, have alternantlike eigenstates. It is also shown that each symmetric Hamiltonian possessing alternantlike eigenstates can be represented as such a linear combination. In particular, the PPP Hamiltonian describing an alternant hydrocarbon system is such a case. Complementary subspaces X+n and X-n can be explicitly constructed using the so-called regular resonance structures (RRS's) which are normalized determinants containing mutually disjunct bond orbitals. Expressions for the derivation of matrix elements of one- and two-particle operators between different RRS's are also derived.