334 research outputs found
Restarted Q-Arnoldi-type methods exploiting symmetry in quadratic eigenvalue problems
The final publication is available at Springer via http://dx.doi.org/ 10.1007/s10543-016-0601-5.We investigate how to adapt the Q-Arnoldi method for the case of symmetric quadratic eigenvalue problems, that is, we are interested in computing a few eigenpairs of with M, C, K symmetric matrices. This problem has no particular structure, in the sense that eigenvalues can be complex or even defective. Still, symmetry of the matrices can be exploited to some extent. For this, we perform a symmetric linearization , where A, B are symmetric matrices but the pair (A, B) is indefinite and hence standard Lanczos methods are not applicable. We implement a symmetric-indefinite Lanczos method and enrich it with a thick-restart technique. This method uses pseudo inner products induced by matrix B for the orthogonalization of vectors (indefinite Gram-Schmidt). The projected problem is also an indefinite matrix pair. The next step is to write a specialized, memory-efficient version that exploits the block structure of A and B, referring only to the original problem matrices M, C, K as in the Q-Arnoldi method. This results in what we have called the Q-Lanczos method. Furthermore, we define a stabilized variant analog of the TOAR method. We show results obtained with parallel implementations in SLEPc.This work was supported by the Spanish Ministry of Economy and Competitiveness under Grant TIN2013-41049-P. Carmen Campos was supported by the Spanish Ministry of Education, Culture and Sport through an FPU Grant with reference AP2012-0608.Campos, C.; Román Moltó, JE. (2016). Restarted Q-Arnoldi-type methods exploiting symmetry in quadratic eigenvalue problems. BIT Numerical Mathematics. 56(4):1213-1236. https://doi.org/10.1007/s10543-016-0601-5S12131236564Bai, Z., Su, Y.: SOAR: a second-order Arnoldi method for the solution of the quadratic eigenvalue problem. SIAM J. Matrix Anal. 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Parallel eigensolvers in plane-wave Density Functional Theory
We consider the problem of parallelizing electronic structure computations in
plane-wave Density Functional Theory. Because of the limited scalability of
Fourier transforms, parallelism has to be found at the eigensolver level. We
show how a recently proposed algorithm based on Chebyshev polynomials can scale
into the tens of thousands of processors, outperforming block conjugate
gradient algorithms for large computations
A Hamiltonian Krylov-Schur-type method based on the symplectic Lanczos process
We discuss a Krylov-Schur like restarting technique applied within the symplectic Lanczos algorithm for the Hamiltonian eigenvalue problem. This allows to easily implement a purging and locking strategy in order to improve the convergence properties of the symplectic Lanczos algorithm. The Krylov-Schur-like restarting is based on the SR algorithm. Some ingredients of the latter need to be adapted to the structure of the symplectic Lanczos recursion. We demonstrate the efficiency of the new method for several Hamiltonian eigenproblems
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
Thick-restarted joint Lanczos bidiagonalization for the GSVD
The computation of the partial generalized singular value decomposition
(GSVD) of large-scale matrix pairs can be approached by means of iterative
methods based on expanding subspaces, particularly Krylov subspaces. We
consider the joint Lanczos bidiagonalization method, and analyze the
feasibility of adapting the thick restart technique that is being used
successfully in the context of other linear algebra problems. Numerical
experiments illustrate the effectiveness of the proposed method. We also
compare the new method with an alternative solution via equivalent eigenvalue
problems, considering accuracy as well as computational performance. The
analysis is done using a parallel implementation in the SLEPc library
The Anderson model of localization: a challenge for modern eigenvalue methods
We present a comparative study of the application of modern eigenvalue
algorithms to an eigenvalue problem arising in quantum physics, namely, the
computation of a few interior eigenvalues and their associated eigenvectors for
the large, sparse, real, symmetric, and indefinite matrices of the Anderson
model of localization. We compare the Lanczos algorithm in the 1987
implementation of Cullum and Willoughby with the implicitly restarted Arnoldi
method coupled with polynomial and several shift-and-invert convergence
accelerators as well as with a sparse hybrid tridiagonalization method. We
demonstrate that for our problem the Lanczos implementation is faster and more
memory efficient than the other approaches. This seemingly innocuous problem
presents a major challenge for all modern eigenvalue algorithms.Comment: 16 LaTeX pages with 3 figures include
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