Stability of the Lanczos Method for Matrix Function Approximation
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A Parallel Lanczos Algorithm for Eigensystem Calculation
A Parallel Lanczos Algorithm for Eigensystem Calculation Hans-Peter Kersken / Uwe Küster Eigenvalue problems arise in many fields of physics and engineering science for example in structural engineering from prediction of dynamic stability of structures or vibrations of a fluid in a closed cavity. Their solution consumes a large amount of memory and CPU time if more than very few (1-5) vibrational modes are desired. Both make the problem a natural candidate for parallel processing. Here we shall present some aspects of the solution of the generalized eigenvalue problem on parallel architectures with distributed memory. The research was carried out as a part of the EC founded project ACTIVATE. This project combines various activities to increase the performance vibro-acoustic software. It brings together end users form space, aviation, and automotive industry with software developers and numerical analysts. Introduction The algorithm we shall describe in the next sections is based on the Lanczos algorithm for solving large sparse eigenvalue problems. It became popular during the past two decades because of its superior convergence properties compared to more traditional methods like inverse vector iteration. Some experiments with an new algorithm described in [Bra97] showed that it is competitive with the Lanczos algorithm only if very few eigenpairs are needed. Therefore we decided to base our implementation on the Lanczos algorithm. However, when implementing the Lanczos algorithm one has to pay attention to some subtle algorithmic details. A state of the art algorithm is described in [Gri94]. On parallel architectures further problems arise concerning the robustness of the algorithm. We implemented the algorithm almost entirely by using numerical libraries. -
A Fast Method for Computing the Inverse of Symmetric Block Arrowhead Matrices
Appl. Math. Inf. Sci. 9, No. 2L, 319-324 (2015) 319 Applied Mathematics & Information Sciences An International Journal http://dx.doi.org/10.12785/amis/092L06 A Fast Method for Computing the Inverse of Symmetric Block Arrowhead Matrices Waldemar Hołubowski1, Dariusz Kurzyk1,∗ and Tomasz Trawi´nski2 1 Institute of Mathematics, Silesian University of Technology, Kaszubska 23, Gliwice 44–100, Poland 2 Mechatronics Division, Silesian University of Technology, Akademicka 10a, Gliwice 44–100, Poland Received: 6 Jul. 2014, Revised: 7 Oct. 2014, Accepted: 8 Oct. 2014 Published online: 1 Apr. 2015 Abstract: We propose an effective method to find the inverse of symmetric block arrowhead matrices which often appear in areas of applied science and engineering such as head-positioning systems of hard disk drives or kinematic chains of industrial robots. Block arrowhead matrices can be considered as generalisation of arrowhead matrices occurring in physical problems and engineering. The proposed method is based on LDLT decomposition and we show that the inversion of the large block arrowhead matrices can be more effective when one uses our method. Numerical results are presented in the examples. Keywords: matrix inversion, block arrowhead matrices, LDLT decomposition, mechatronic systems 1 Introduction thermal and many others. Considered subsystems are highly differentiated, hence formulation of uniform and simple mathematical model describing their static and A square matrix which has entries equal zero except for dynamic states becomes problematic. The process of its main diagonal, a one row and a column, is called the preparing a proper mathematical model is often based on arrowhead matrix. Wide area of applications causes that the formulation of the equations associated with this type of matrices is popular subject of research related Lagrangian formalism [9], which is a convenient way to with mathematics, physics or engineering, such as describe the equations of mechanical, electromechanical computing spectral decomposition [1], solving inverse and other components. -
Exact Diagonalization of Quantum Lattice Models on Coprocessors
Exact diagonalization of quantum lattice models on coprocessors T. Siro∗, A. Harju Aalto University School of Science, P.O. Box 14100, 00076 Aalto, Finland Abstract We implement the Lanczos algorithm on an Intel Xeon Phi coprocessor and compare its performance to a multi-core Intel Xeon CPU and an NVIDIA graphics processor. The Xeon and the Xeon Phi are parallelized with OpenMP and the graphics processor is programmed with CUDA. The performance is evaluated by measuring the execution time of a single step in the Lanczos algorithm. We study two quantum lattice models with different particle numbers, and conclude that for small systems, the multi-core CPU is the fastest platform, while for large systems, the graphics processor is the clear winner, reaching speedups of up to 7.6 compared to the CPU. The Xeon Phi outperforms the CPU with sufficiently large particle number, reaching a speedup of 2.5. Keywords: Tight binding, Hubbard model, exact diagonalization, GPU, CUDA, MIC, Xeon Phi 1. Introduction hopping amplitude is denoted by t. The tight-binding model describes free electrons hopping around a lattice, and it gives a In recent years, there has been tremendous interest in utiliz- crude approximation of the electronic properties of a solid. The ing coprocessors in scientific computing, including condensed model can be made more realistic by adding interactions, such matter physics[1, 2, 3, 4]. Most of the work has been done as on-site repulsion, which results in the well-known Hubbard on graphics processing units (GPU), resulting in impressive model[9]. In our basis, however, such interaction terms are di- speedups compared to CPUs in problems that exhibit high data- agonal, rendering their effect on the computational complexity parallelism and benefit from the high throughput of the GPU. -
An Implementation of a Generalized Lanczos Procedure for Structural Dynamic Analysis on Distributed Memory Computers
NU~IERICAL ANALYSIS PROJECT AUGUST 1992 MANUSCRIPT ,NA-92-09 An Implementation of a Generalized Lanczos Procedure for Structural Dynamic Analysis on Distributed Memory Computers . bY David R. Mackay and Kincho H. Law NUMERICAL ANALYSIS PROJECT COMPUTER SCIENCE DEPARTMENT STANFORD UNIVERSITY STANFORD, CALIFORNIA 94305 An Implementation of a Generalized Lanczos Procedure for Structural Dynamic Analysis on Distributed Memory Computers’ David R. Mackay and Kincho H. Law Department of Civil Engineering Stanford University Stanford, CA 94305-4020 Abstract This paper describes a parallel implementation of a generalized Lanczos procedure for struc- tural dynamic analysis on a distributed memory parallel computer. One major cost of the gener- alized Lanczos procedure is the factorization of the (shifted) stiffness matrix and the forward and backward solution of triangular systems. In this paper, we discuss load assignment of a sparse matrix and propose a strategy for inverting the principal block submatrix factors to facilitate the forward and backward solution of triangular systems. We also discuss the different strategies in the implementation of mass matrix-vector multiplication on parallel computer and how they are used in the Lanczos procedure. The Lanczos procedure implemented includes partial and external selective reorthogonalizations and spectral shifts. Experimental results are presented to illustrate the effectiveness of the parallel generalized Lanczos procedure. The issues of balancing the com- putations among the basic steps of the Lanczos procedure on distributed memory computers are discussed. IThis work is sponsored by the National Science Foundation grant number ECS-9003107, and the Army Research Office grant number DAAL-03-91-G-0038. Contents List of Figures ii . -
Lanczos Vectors Versus Singular Vectors for Effective Dimension Reduction Jie Chen and Yousef Saad
1 Lanczos Vectors versus Singular Vectors for Effective Dimension Reduction Jie Chen and Yousef Saad Abstract— This paper takes an in-depth look at a technique for a) Latent Semantic Indexing (LSI): LSI [3], [4] is an effec- computing filtered matrix-vector (mat-vec) products which are tive information retrieval technique which computes the relevance required in many data analysis applications. In these applications scores for all the documents in a collection in response to a user the data matrix is multiplied by a vector and we wish to perform query. In LSI, a collection of documents is represented as a term- this product accurately in the space spanned by a few of the major singular vectors of the matrix. We examine the use of the document matrix X = [xij] where each column vector represents Lanczos algorithm for this purpose. The goal of the method is a document and xij is the weight of term i in document j. A query identical with that of the truncated singular value decomposition is represented as a pseudo-document in a similar form—a column (SVD), namely to preserve the quality of the resulting mat-vec vector q. By performing dimension reduction, each document xj product in the major singular directions of the matrix. The T T (j-th column of X) becomes Pk xj and the query becomes Pk q Lanczos-based approach achieves this goal by using a small in the reduced-rank representation, where P is the matrix whose number of Lanczos vectors, but it does not explicitly compute k column vectors are the k major left singular vectors of X. -
Accurate Eigenvalue Decomposition of Arrowhead Matrices and Applications
Accurate eigenvalue decomposition of arrowhead matrices and applications Accurate eigenvalue decomposition of arrowhead matrices and applications Nevena Jakovˇcevi´cStor FESB, University of Split joint work with Ivan Slapniˇcar and Jesse Barlow IWASEP9 June 4th, 2012. 1/31 Accurate eigenvalue decomposition of arrowhead matrices and applications Introduction We present a new algorithm (aheig) for computing eigenvalue decomposition of real symmetric arrowhead matrix. 2/31 Accurate eigenvalue decomposition of arrowhead matrices and applications Introduction We present a new algorithm (aheig) for computing eigenvalue decomposition of real symmetric arrowhead matrix. Under certain conditions, the aheig algorithm computes all eigenvalues and all components of corresponding eigenvectors with high rel. acc. in O(n2) operations. 2/31 Accurate eigenvalue decomposition of arrowhead matrices and applications Introduction We present a new algorithm (aheig) for computing eigenvalue decomposition of real symmetric arrowhead matrix. Under certain conditions, the aheig algorithm computes all eigenvalues and all components of corresponding eigenvectors with high rel. acc. in O(n2) operations. 2/31 Accurate eigenvalue decomposition of arrowhead matrices and applications Introduction We present a new algorithm (aheig) for computing eigenvalue decomposition of real symmetric arrowhead matrix. Under certain conditions, the aheig algorithm computes all eigenvalues and all components of corresponding eigenvectors with high rel. acc. in O(n2) operations. The algorithm is based on shift-and-invert technique and limited finite O(n) use of double precision arithmetic when necessary. 2/31 Accurate eigenvalue decomposition of arrowhead matrices and applications Introduction We present a new algorithm (aheig) for computing eigenvalue decomposition of real symmetric arrowhead matrix. Under certain conditions, the aheig algorithm computes all eigenvalues and all components of corresponding eigenvectors with high rel. -
High Performance Selected Inversion Methods for Sparse Matrices
High performance selected inversion methods for sparse matrices Direct and stochastic approaches to selected inversion Doctoral Dissertation submitted to the Faculty of Informatics of the Università della Svizzera italiana in partial fulfillment of the requirements for the degree of Doctor of Philosophy presented by Fabio Verbosio under the supervision of Olaf Schenk February 2019 Dissertation Committee Illia Horenko Università della Svizzera italiana, Switzerland Igor Pivkin Università della Svizzera italiana, Switzerland Matthias Bollhöfer Technische Universität Braunschweig, Germany Laura Grigori INRIA Paris, France Dissertation accepted on 25 February 2019 Research Advisor PhD Program Director Olaf Schenk Walter Binder i I certify that except where due acknowledgement has been given, the work presented in this thesis is that of the author alone; the work has not been sub- mitted previously, in whole or in part, to qualify for any other academic award; and the content of the thesis is the result of work which has been carried out since the official commencement date of the approved research program. Fabio Verbosio Lugano, 25 February 2019 ii To my whole family. In its broadest sense. iii iv Le conoscenze matematiche sono proposizioni costruite dal nostro intelletto in modo da funzionare sempre come vere, o perché sono innate o perché la matematica è stata inventata prima delle altre scienze. E la biblioteca è stata costruita da una mente umana che pensa in modo matematico, perché senza matematica non fai labirinti. Umberto Eco, “Il nome della rosa” v vi Abstract The explicit evaluation of selected entries of the inverse of a given sparse ma- trix is an important process in various application fields and is gaining visibility in recent years. -
Master of Science in Advanced Mathematics and Mathematical
Master of Science in Advanced Mathematics and Mathematical Engineering Title: Cholesky-Factorized Sparse Kernel in Support Vector Machines Author: Alhasan Abdellatif Advisors: Jordi Castro, Lluís A. Belanche Departments: Department of Statistics and Operations Research and Department of Computer Science Academic year: 2018-2019 Universitat Polit`ecnicade Catalunya Facultat de Matem`atiquesi Estad´ıstica Master in Advanced Mathematics and Mathematical Engineering Master's thesis Cholesky-Factorized Sparse Kernel in Support Vector Machines Alhasan Abdellatif Supervised by Jordi Castro and Llu´ısA. Belanche June, 2019 I would like to express my gratitude to my supervisors Jordi Castro and Llu´ıs A. Belanche for the continuous support, guidance and advice they gave me during working on the project and writing the thesis. The enthusiasm and dedication they show have pushed me forward and will always be an inspiration for me. I am forever grateful to my family who have always been there for me. They have encouraged me to pursue my passion and seek my own destiny. This journey would not have been possible without their support and love. Abstract Support Vector Machine (SVM) is one of the most powerful machine learning algorithms due to its convex optimization formulation and handling non-linear classification. However, one of its main drawbacks is the long time it takes to train large data sets. This limitation is often aroused when applying non-linear kernels (e.g. RBF Kernel) which are usually required to obtain better separation for linearly inseparable data sets. In this thesis, we study an approach that aims to speed-up the training time by combining both the better performance of RBF kernels and fast training by a linear solver, LIBLINEAR. -
Restarted Lanczos Bidiagonalization for the SVD in Slepc
Scalable Library for Eigenvalue Problem Computations SLEPc Technical Report STR-8 Available at http://slepc.upv.es Restarted Lanczos Bidiagonalization for the SVD in SLEPc V. Hern´andez J. E. Rom´an A. Tom´as Last update: June, 2007 (slepc 2.3.3) Previous updates: { About SLEPc Technical Reports: These reports are part of the documentation of slepc, the Scalable Library for Eigenvalue Problem Computations. They are intended to complement the Users Guide by providing technical details that normal users typically do not need to know but may be of interest for more advanced users. Restarted Lanczos Bidiagonalization for the SVD in SLEPc STR-8 Contents 1 Introduction 2 2 Description of the Method3 2.1 Lanczos Bidiagonalization...............................3 2.2 Dealing with Loss of Orthogonality..........................6 2.3 Restarted Bidiagonalization..............................8 2.4 Available Implementations............................... 11 3 The slepc Implementation 12 3.1 The Algorithm..................................... 12 3.2 User Options...................................... 13 3.3 Known Issues and Applicability............................ 14 1 Introduction The singular value decomposition (SVD) of an m × n complex matrix A can be written as A = UΣV ∗; (1) ∗ where U = [u1; : : : ; um] is an m × m unitary matrix (U U = I), V = [v1; : : : ; vn] is an n × n unitary matrix (V ∗V = I), and Σ is an m × n diagonal matrix with nonnegative real diagonal entries Σii = σi for i = 1;:::; minfm; ng. If A is real, U and V are real and orthogonal. The vectors ui are called the left singular vectors, the vi are the right singular vectors, and the σi are the singular values. In this report, we will assume without loss of generality that m ≥ n. -
A Parallel Implementation of Lanczos Algorithm in SVD Computation
A Parallel Implementation of Lanczos Algorithm in SVD 1 Computation SRIKANTH KALLURKAR Abstract This work presents a parallel implementation of Lanczos algorithm for SVD Computation using MPI. We investigate exe- cution time as a function of matrix sparsity, matrix size, and the number of processes. We observe speedup and slowdown for parallelized Lanczos algorithm. Reasons for the speedups and the slowdowns are discussed in the report. I. INTRODUCTION Singular Value Decomposition (SVD) is an important classical technique which is used for many pur- poses [8]. Deerwester et al [5] described a new method for automatic indexing and retrieval using SVD wherein a large term by document matrix was decomposed into a set of 100 orthogonal factors from which the original matrix was approximated by linear combinations. The method was called Latent Semantic Indexing (LSI). In addition to a significant problem dimensionality reduction it was believed that the LSI had the potential to improve precision and recall. Studies [11] have shown that LSI based retrieval has not produced conclusively better results than vector-space modeled retrieval. Recently, however, there is a renewed interest in SVD based approach to Information Retrieval and Text Mining [4], [6]. The rapid increase in digital and online information has presented the task of efficient information pro- cessing and management. Standard term statistic based techniques may have potentially reached a limit for effective text retrieval. One of key new emerging areas for text retrieval is language models, that can provide not just structural but also semantic insights about the documents. Exploration of SVD based LSI is therefore a strategic research direction. -
A High Performance Block Eigensolver for Nuclear Configuration Interaction Calculations Hasan Metin Aktulga, Md
1 A High Performance Block Eigensolver for Nuclear Configuration Interaction Calculations Hasan Metin Aktulga, Md. Afibuzzaman, Samuel Williams, Aydın Buluc¸, Meiyue Shao, Chao Yang, Esmond G. Ng, Pieter Maris, James P. Vary Abstract—As on-node parallelism increases and the performance gap between the processor and the memory system widens, achieving high performance in large-scale scientific applications requires an architecture-aware design of algorithms and solvers. We focus on the eigenvalue problem arising in nuclear Configuration Interaction (CI) calculations, where a few extreme eigenpairs of a sparse symmetric matrix are needed. We consider a block iterative eigensolver whose main computational kernels are the multiplication of a sparse matrix with multiple vectors (SpMM), and tall-skinny matrix operations. We present techniques to significantly improve the SpMM and the transpose operation SpMMT by using the compressed sparse blocks (CSB) format. We achieve 3–4× speedup on the requisite operations over good implementations with the commonly used compressed sparse row (CSR) format. We develop a performance model that allows us to correctly estimate the performance of our SpMM kernel implementations, and we identify cache bandwidth as a potential performance bottleneck beyond DRAM. We also analyze and optimize the performance of LOBPCG kernels (inner product and linear combinations on multiple vectors) and show up to 15× speedup over using high performance BLAS libraries for these operations. The resulting high performance LOBPCG solver achieves 1.4× to 1.8× speedup over the existing Lanczos solver on a series of CI computations on high-end multicore architectures (Intel Xeons). We also analyze the performance of our techniques on an Intel Xeon Phi Knights Corner (KNC) processor. -
Presto: Distributed Machine Learning and Graph Processing with Sparse Matrices
Presto: Distributed Machine Learning and Graph Processing with Sparse Matrices Shivaram Venkataraman1 Erik Bodzsar2 Indrajit Roy Alvin AuYoung Robert S. Schreiber 1UC Berkeley, 2University of Chicago, HP Labs [email protected], ferik.bodzsar, indrajitr, alvina, [email protected] Abstract Array-based languages such as R and MATLAB provide It is cumbersome to write machine learning and graph al- an appropriate programming model to express such machine gorithms in data-parallel models such as MapReduce and learning and graph algorithms. The core construct of arrays Dryad. We observe that these algorithms are based on matrix makes these languages suitable to represent vectors and ma- computations and, hence, are inefficient to implement with trices, and perform matrix computations. R has thousands the restrictive programming and communication interface of of freely available packages and is widely used by data min- such frameworks. ers and statisticians, albeit for problems with relatively small In this paper we show that array-based languages such amounts of data. It has serious limitations when applied to as R [3] are suitable for implementing complex algorithms very large datasets: limited support for distributed process- and can outperform current data parallel solutions. Since R ing, no strategy for load balancing, no fault tolerance, and is is single-threaded and does not scale to large datasets, we constrained by a server’s DRAM capacity. have built Presto, a distributed system that extends R and 1.1 Towards an efficient distributed R addresses many of its limitations. Presto efficiently shares sparse structured data, can leverage multi-cores, and dynam- We validate our hypothesis that R can be used to efficiently ically partitions data to mitigate load imbalance.