79,299 research outputs found

    Hybrid preconditioning for iterative diagonalization of ill-conditioned generalized eigenvalue problems in electronic structure calculations

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    The iterative diagonalization of a sequence of large ill-conditioned generalized eigenvalue problems is a computational bottleneck in quantum mechanical methods employing a nonorthogonal basis for {\em ab initio} electronic structure calculations. We propose a hybrid preconditioning scheme to effectively combine global and locally accelerated preconditioners for rapid iterative diagonalization of such eigenvalue problems. In partition-of-unity finite-element (PUFE) pseudopotential density-functional calculations, employing a nonorthogonal basis, we show that the hybrid preconditioned block steepest descent method is a cost-effective eigensolver, outperforming current state-of-the-art global preconditioning schemes, and comparably efficient for the ill-conditioned generalized eigenvalue problems produced by PUFE as the locally optimal block preconditioned conjugate-gradient method for the well-conditioned standard eigenvalue problems produced by planewave methods

    Nonlinear Markov Processes in Big Networks

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    Big networks express various large-scale networks in many practical areas such as computer networks, internet of things, cloud computation, manufacturing systems, transportation networks, and healthcare systems. This paper analyzes such big networks, and applies the mean-field theory and the nonlinear Markov processes to set up a broad class of nonlinear continuous-time block-structured Markov processes, which can be applied to deal with many practical stochastic systems. Firstly, a nonlinear Markov process is derived from a large number of interacting big networks with symmetric interactions, each of which is described as a continuous-time block-structured Markov process. Secondly, some effective algorithms are given for computing the fixed points of the nonlinear Markov process by means of the UL-type RG-factorization. Finally, the Birkhoff center, the Lyapunov functions and the relative entropy are used to analyze stability or metastability of the big network, and several interesting open problems are proposed with detailed interpretation. We believe that the results given in this paper can be useful and effective in the study of big networks.Comment: 28 pages in Special Matrices; 201

    CSWA: Aggregation-Free Spatial-Temporal Community Sensing

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    In this paper, we present a novel community sensing paradigm -- {C}ommunity {S}ensing {W}ithout {A}ggregation}. CSWA is designed to obtain the environment information (e.g., air pollution or temperature) in each subarea of the target area, without aggregating sensor and location data collected by community members. CSWA operates on top of a secured peer-to-peer network over the community members and proposes a novel \emph{Decentralized Spatial-Temporal Compressive Sensing} framework based on \emph{Parallelized Stochastic Gradient Descent}. Through learning the \emph{low-rank structure} via distributed optimization, CSWA approximates the value of the sensor data in each subarea (both covered and uncovered) for each sensing cycle using the sensor data locally stored in each member's mobile device. Simulation experiments based on real-world datasets demonstrate that CSWA exhibits low approximation error (i.e., less than 0.2∘0.2 ^\circC in city-wide temperature sensing task and 1010 units of PM2.5 index in urban air pollution sensing) and performs comparably to (sometimes better than) state-of-the-art algorithms based on the data aggregation and centralized computation.Comment: This paper has been accepted by AAAI 2018. First two authors are equally contribute

    An odyssey into local refinement and multilevel preconditioning III: Implementation and numerical experiments

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    In this paper, we examine a number of additive and multiplicative multilevel iterative methods and preconditioners in the setting of two-dimensional local mesh refinement. While standard multilevel methods are effective for uniform refinement-based discretizations of elliptic equations, they tend to be less effective for algebraic systems, which arise from discretizations on locally refined meshes, losing their optimal behavior in both storage and computational complexity. Our primary focus here is on Bramble, Pasciak, and Xu (BPX)-style additive and multiplicative multilevel preconditioners, and on various stabilizations of the additive and multiplicative hierarchical basis (HB) method, and their use in the local mesh refinement setting. In parts I and II of this trilogy, it was shown that both BPX and wavelet stabilizations of HB have uniformly bounded condition numbers on several classes of locally refined two- and three-dimensional meshes based on fairly standard (and easily implementable) red and red-green mesh refinement algorithms. In this third part of the trilogy, we describe in detail the implementation of these types of algorithms, including detailed discussions of the data structures and traversal algorithms we employ for obtaining optimal storage and computational complexity in our implementations. We show how each of the algorithms can be implemented using standard data types, available in languages such as C and FORTRAN, so that the resulting algorithms have optimal (linear) storage requirements, and so that the resulting multilevel method or preconditioner can be applied with optimal (linear) computational costs. We have successfully used these data structure ideas for both MATLAB and C implementations using the FEtk, an open source finite element software package. We finish the paper with a sequence of numerical experiments illustrating the effectiveness of a number of BPX and stabilized HB variants for several examples requiring local refinement
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