42 research outputs found
Structure Preserving Parallel Algorithms for Solving the Bethe-Salpeter Eigenvalue Problem
The Bethe-Salpeter eigenvalue problem is a dense structured eigenvalue
problem arising from discretized Bethe-Salpeter equation in the context of
computing exciton energies and states. A computational challenge is that at
least half of the eigenvalues and the associated eigenvectors are desired in
practice. We establish the equivalence between Bethe-Salpeter eigenvalue
problems and real Hamiltonian eigenvalue problems. Based on theoretical
analysis, structure preserving algorithms for a class of Bethe-Salpeter
eigenvalue problems are proposed. We also show that for this class of problems
all eigenvalues obtained from the Tamm-Dancoff approximation are overestimated.
In order to solve large scale problems of practical interest, we discuss
parallel implementations of our algorithms targeting distributed memory
systems. Several numerical examples are presented to demonstrate the efficiency
and accuracy of our algorithms
Mixed-Precision Numerical Linear Algebra Algorithms: Integer Arithmetic Based LU Factorization and Iterative Refinement for Hermitian Eigenvalue Problem
Mixed-precision algorithms are a class of algorithms that uses low precision in part of the algorithm in order to save time and energy with less accurate computation and communication. These algorithms usually utilize iterative refinement processes to improve the approximate solution obtained from low precision to the accuracy we desire from doing all the computation in high precision. Due to the demand of deep learning applications, there are hardware developments offering different low-precision formats including half precision (FP16), Bfloat16 and integer operations for quantized integers, which uses integers with a shared scalar to represent a set of equally spaced numbers. As new hardware architectures focus on bringing performance in these formats, the mixed-precision algorithms have more potential leverage on them and outmatch traditional fixed-precision algorithms. This dissertation consists of two articles. In the first article, we adapt one of the most fundamental algorithms in numerical linear algebra---LU factorization with partial pivoting--- to use integer arithmetic. With the goal of obtaining a low accuracy factorization as the preconditioner of generalized minimal residual (GMRES) to solve systems of linear equations, the LU factorization is adapted to use two different fixed-point formats for matrices L and U. A left-looking variant is also proposed for matrices with unbounded column growth. Finally, GMRES iterative refinement has shown that it can work on matrices with condition numbers up to 10000 with the algorithm that uses int16 as input and int32 accumulator for the update step. The second article targets symmetric and Hermitian eigenvalue problems. In this section we revisit the SICE algorithm from Dongarra et al. By applying the Sherman-Morrison formula on the diagonally-shifted tridiagonal systems, we propose an updated SICE-SM algorithm. By incorporating the latest two-stage algorithms from the PLASMA and MAGMA software libraries for numerical linear algebra, we achieved up to 3.6x speedup using the mixed-precision eigensolver with the blocked SICE-SM algorithm for iterative refinement when compared with full double complex precision solvers for the cases with a portion of eigenvalues and eigenvectors requested
The LAPW method with eigendecomposition based on the Hari--Zimmermann generalized hyperbolic SVD
In this paper we propose an accurate, highly parallel algorithm for the
generalized eigendecomposition of a matrix pair , given in a factored
form . Matrices and are generally complex
and Hermitian, and is positive definite. This type of matrices emerges from
the representation of the Hamiltonian of a quantum mechanical system in terms
of an overcomplete set of basis functions. This expansion is part of a class of
models within the broad field of Density Functional Theory, which is considered
the golden standard in condensed matter physics. The overall algorithm consists
of four phases, the second and the fourth being optional, where the two last
phases are computation of the generalized hyperbolic SVD of a complex matrix
pair , according to a given matrix defining the hyperbolic scalar
product. If , then these two phases compute the GSVD in parallel very
accurately and efficiently.Comment: The supplementary material is available at
https://web.math.pmf.unizg.hr/mfbda/papers/sm-SISC.pdf due to its size. This
revised manuscript is currently being considered for publicatio
Efficient Algorithms for Solving Structured Eigenvalue Problems Arising in the Description of Electronic Excitations
Matrices arising in linear-response time-dependent density functional theory and many-body perturbation theory, in particular in the Bethe-Salpeter approach, show a 2 × 2 block structure. The motivation to devise new algorithms, instead of using general purpose eigenvalue solvers, comes from the need to solve large problems on high performance computers. This requires parallelizable and communication-avoiding algorithms and implementations. We point out various novel directions for diagonalizing structured matrices. These include the solution of skew-symmetric eigenvalue problems in ELPA, as well as structure preserving spectral divide-and-conquer schemes employing generalized polar decompostions
大量の小さな問題のための効率的なGPU実装に関する研究
広島大学(Hiroshima University)博士(工学)Doctor of Engineeringdoctora
An Optimized and Scalable Eigensolver for Sequences of Eigenvalue Problems
In many scientific applications the solution of non-linear differential
equations are obtained through the set-up and solution of a number of
successive eigenproblems. These eigenproblems can be regarded as a sequence
whenever the solution of one problem fosters the initialization of the next. In
addition, in some eigenproblem sequences there is a connection between the
solutions of adjacent eigenproblems. Whenever it is possible to unravel the
existence of such a connection, the eigenproblem sequence is said to be
correlated. When facing with a sequence of correlated eigenproblems the current
strategy amounts to solving each eigenproblem in isolation. We propose a
alternative approach which exploits such correlation through the use of an
eigensolver based on subspace iteration and accelerated with Chebyshev
polynomials (ChFSI). The resulting eigensolver is optimized by minimizing the
number of matrix-vector multiplications and parallelized using the Elemental
library framework. Numerical results show that ChFSI achieves excellent
scalability and is competitive with current dense linear algebra parallel
eigensolvers.Comment: 23 Pages, 6 figures. First revision of an invited submission to
special issue of Concurrency and Computation: Practice and Experienc