A Bi-Orthogonal Structure-Preserving eigensolver for large-scale linear response eigenvalue problem

Fuente: arXiv
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Autores principales: Li, Yu, Wang, Zijing, Zhang, Yong
Formato: Preprint
Publicado: 2025
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author Li, Yu
Wang, Zijing
Zhang, Yong
author_facet Li, Yu
Wang, Zijing
Zhang, Yong
contents The linear response eigenvalue problem, which arises from many scientific and engineering fields, is quite challenging numerically for large-scale sparse/dense system, especially when it has zero eigenvalues. Based on a direct sum decomposition of biorthogonal invariant subspaces and the minimization principles in the biorthogonal complement, using the structure of generalized nullspace, we propose a Bi-Orthogonal Structure-Preserving subspace iterative solver, which is stable, efficient, and of excellent parallel scalability. The biorthogonality is of essential importance and created by a modified Gram-Schmidt biorthogonalization (MGS-Biorth) algorithm. We naturally deflate out converged eigenvectors by computing the rest eigenpairs in the biorthogonal complementary subspace without introducing any artificial parameters. When the number of requested eigenpairs is large, we propose a moving mechanism to compute them batch by batch such that the projection matrix size is small and independent of the requested eigenpair number. For large-scale problems, one only needs to provide the matrix-vector product, thus waiving explicit matrix storage. The numerical performance is further improved when the matrix-vector product is implemented using parallel computing. Ample numerical examples are provided to demonstrate the stability, efficiency, and parallel scalability.
format Preprint
id arxiv_https___arxiv_org_abs_2506_08355
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle A Bi-Orthogonal Structure-Preserving eigensolver for large-scale linear response eigenvalue problem
Li, Yu
Wang, Zijing
Zhang, Yong
Numerical Analysis
The linear response eigenvalue problem, which arises from many scientific and engineering fields, is quite challenging numerically for large-scale sparse/dense system, especially when it has zero eigenvalues. Based on a direct sum decomposition of biorthogonal invariant subspaces and the minimization principles in the biorthogonal complement, using the structure of generalized nullspace, we propose a Bi-Orthogonal Structure-Preserving subspace iterative solver, which is stable, efficient, and of excellent parallel scalability. The biorthogonality is of essential importance and created by a modified Gram-Schmidt biorthogonalization (MGS-Biorth) algorithm. We naturally deflate out converged eigenvectors by computing the rest eigenpairs in the biorthogonal complementary subspace without introducing any artificial parameters. When the number of requested eigenpairs is large, we propose a moving mechanism to compute them batch by batch such that the projection matrix size is small and independent of the requested eigenpair number. For large-scale problems, one only needs to provide the matrix-vector product, thus waiving explicit matrix storage. The numerical performance is further improved when the matrix-vector product is implemented using parallel computing. Ample numerical examples are provided to demonstrate the stability, efficiency, and parallel scalability.
title A Bi-Orthogonal Structure-Preserving eigensolver for large-scale linear response eigenvalue problem
topic Numerical Analysis
url https://arxiv.org/abs/2506.08355