Trace-Penalty Minimization for Large-scale Eigenspace Computation

Abstract

The Rayleigh-Ritz (RR) procedure, including orthogonalization, constitutes a major bottleneck in computing relatively high-dimensional eigenspaces of large sparse matrices. Although operations involved in RR steps can be parallelized to a certain level, their parallel scalability, which is limited by some inherent sequential steps, is lower than dense matrix-matrix multiplications. The primary motivation of this paper is to develop a methodology that reduces the use of the RR procedure in exchange for matrix-matrix multiplications. We propose an unconstrained penalty model and establish its equivalence to the eigenvalue problem. This model enables us to deploy gradient-type algorithms that makes heavy use of dense matrix-matrix multiplications. Although the proposed algorithm does not necessarily reduce the total number of arithmetic operations, it leverages highly optimized operations on modern high performance computers to achieve parallel scalability. Numerical results based on a preliminary implementation, parallelized using OpenMP, show that our approach is promising.

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Document Details

Document Type
Technical Report
Publication Date
Mar 06, 2013
Accession Number
ADA585471

Entities

People

  • Chao Yang
  • Xin Liu
  • Yin Zhang
  • Zaiwen Wen

Organizations

  • Rice University

Tags

Communities of Interest

  • C4I

DTIC Thesaurus Topics

  • Accuracy
  • Algebra
  • Algorithms
  • Applied Mathematics
  • Computational Complexity
  • Computational Fluid Dynamics
  • Computations
  • Computers
  • Density Functional Theory
  • Eigenvalues
  • Equations
  • Interdisciplinary Science
  • Linear Algebra
  • Mathematics
  • Scalability
  • Sparse Matrix
  • Systems Science

Fields of Study

  • Computer science

Readers

  • Distributed Systems and Data Platform Development
  • Linear Algebra
  • Parallel and Distributed Computing.