How long does it take to compute the eigenvalues of a random symmetric matrix?
J.P. Morgan Securities LLC（摩根大通证券）；Courant Institute for Mathematical Sciences, New York University（纽约大学柯朗数学科学研究所）；Division of Applied Mathematics, Brown University（布朗大学应用数学系）
Christian W. Pfrang, Percy Deift, Govind Menon
备注：
20 Figures; Revision includes a treatment of the QR algorithm with shifts
We present the results of an empirical study of the performance of the QR algorithm (with and without shifts) and the Toda algorithm on random symmetric matrices. The random matrices are chosen from six ensembles, four of which lie in the Wigner class. For all three algorithms, we observe a form of universality for the deflation time statistics for random matrices within the Wigner class. For these ensembles, the empirical distribution of a normalized deflation time is found to collapse onto a curve that depends only on the algorithm, but not on the matrix size or deflation tolerance provided the matrix size is large enough (see Figure 4, Figure 7 and Figure 10). For the QR algorithm with the Wilkinson shift, the observed universality is even stronger and includes certain non-Wigner ensembles. Our experiments also provide a quantitative statistical picture of the accelerated convergence with shifts.
In this paper, by introducing a class of relaxed filtered Krylov subspaces, we propose the relaxed filtered Krylov subspace method for computing the eigenvalues with the largest real parts and the corresponding eigenvectors of non-symmetric matrices. As by-products, the generalizations of the filtered Krylov subspace method and the Chebyshev-Davidson method for solving non-symmetric eigenvalue problems are also presented. We give the convergence analysis of the complex Chebyshev polynomial, which plays a significant role in the polynomial acceleration technique. In addition, numerical experime…
Recently, Ogita and Aishima proposed an efficient eigendecomposition refinement algorithm for the symmetric eigenproblem. Their basic algorithm involves division by the difference of two approximate eigenvalues, and can become unstable when there are multiple eigenvalues. To resolve this problem, they proposed to replace those equations that casue instability with different equations and gave a convergence proof of the resulting algorithm. However, it is not straightforward to understand intuitively why the modified algorithm works, because it removes some of the necessary and sufficient condi…
A new iterative method for solving large scale symmetric nonlinear eigenvalue problems is presented. We firstly derive an infinite dimensional symmetric linearization of the nonlinear eigenvalue problem, then we apply the indefinite Lanczos method to this specific linearization, resulting in a short-term recurrence. We show how, under specific assumption on the starting vector, this method can be carried out in finite arithmetic and how the exploitation of the problem structure leads to improvements in terms of computation time. The eigenpair approximations are extracted with the nonlinear Ray…
In this paper, we consider the Newton-Schur method in Hilbert space and obtain quadratic convergence. For the symmetric elliptic eigenvalue problem discretized by the standard finite element method and non-overlapping domain decomposition method, we use the Steklov-Poincaré operator to reduce the eigenvalue problem on the domain $Ω$ into the nonlinear eigenvalue subproblem on $Γ$, which is the union of subdomain boundaries. We prove that the convergence rate for the Newton-Schur method is $ε_{N}\leq CH^{2}(1+\ln(H/h))^{2}ε^{2}$, where the constant $C$ is independent of the fine mesh size $h$ a…
We present a high-performance solver for dense skew-symmetric matrix eigenvalue problems. Our work is motivated by applications in computational quantum physics, where one solution approach to solve the so-called Bethe-Salpeter equation involves the solution of a large, dense, skew-symmetric eigenvalue problem. The computed eigenpairs can be used to compute the optical absorption spectrum of molecules and crystalline systems. One state-of-the art high-performance solver package for symmetric matrices is the ELPA (Eigenvalue SoLvers for Petascale Applications) library. We extend the methods ava…
For a Hermitian matrix $H \in \mathbb C^{n,n}$ and symmetric matrices $S_0, S_1,\ldots,S_k \in \mathbb C^{n,n}$, we consider the problem of computing the supremum of $\left\{ \frac{v^*Hv}{v^*v}:~v\in \mathbb C^{n}\setminus \{0\},\,v^TS_iv=0~\text{for}~i=0,\ldots,k\right\}$. For this, we derive an estimation in the form of minimizing the second largest eigenvalue of a parameter depending Hermitian matrix, which is exact when the eigenvalue at the optimal is simple. The results are then applied to compute the eigenvalue backward errors of higher degree matrix polynomials with T-palindromic, T-an…
A thorough backward stability analysis of Hotelling's deflation, an explicit external deflation procedure through low-rank updates for computing many eigenpairs of a symmetric matrix, is presented. Computable upper bounds of the loss of the orthogonality of the computed eigenvectors and the symmetric backward error norm of the computed eigenpairs are derived. Sufficient conditions for the backward stability of the explicit external deflation procedure are revealed. Based on these theoretical results, the strategy for achieving numerical backward stability by dynamically selecting the shifts is…
We are interested in the optimization of convex domains under a PDE constraint. Due to the difficulties of approximating convex domains in $\mathbb{R}^3$, the restriction to rotationally symmetric domains is used to reduce shape optimization problems to a two-dimensional setting. For the optimization of an eigenvalue arising in a problem of optimal insulation, the existence of an optimal domain is proven. An algorithm is proposed that can be applied to general shape optimization problems under the geometric constraints of convexity and rotational symmetry. The approximated optimal domains for …
Many large-scale scientific computations require eigenvalue solvers in a scaling regime where efficiency is limited by data movement. We introduce a parallel algorithm for computing the eigenvalues of a dense symmetric matrix, which performs asymptotically less communication than previously known approaches. We provide analysis in the Bulk Synchronous Parallel (BSP) model with additional consideration for communication between a local memory and cache. Given sufficient memory to store $c$ copies of the symmetric matrix, our algorithm requires $Θ(\sqrt{c})$ less interprocessor communication tha…
An a posteriori verification method is proposed for the generalized real-symmetric eigenvalue problem and is applied to densely clustered eigenvalue problems in large-scale electronic state calculations. The proposed method is realized by a two-stage process in which the approximate solution is computed by existing numerical libraries and is then verified in a moderate computational time. The procedure returns intervals containing one exact eigenvalue in each interval. Test calculations were carried out for organic device materials, and the verification method confirms that all exact eigenvalu…
Many eigenvalue problems arising in practice are often of the generalized form $A\x=λB\x$. One particularly important case is symmetric, namely $A, B$ are Hermitian and $B$ is positive definite. The standard algorithm for solving this class of eigenvalue problems is to reduce them to Hermitian eigenvalue problems. For a quantum computer, quantum phase estimation is a useful technique to solve Hermitian eigenvalue problems. In this work, we propose a new quantum algorithm for symmetric generalized eigenvalue problems using ordinary differential equations. The algorithm has lower complexity than…
In this paper, we are interested in developing an accelerated Difference-of-Convex (DC) programming algorithm based on the exact line search for efficiently solving the Symmetric Eigenvalue Complementarity Problem (SEiCP) and Symmetric Quadratic Eigenvalue Complementarity Problem (SQEiCP). We first proved that any SEiCP is equivalent to SEiCP with symmetric positive definite matrices only. Then, we established DC programming formulations for two equivalent formulations of SEiCP (namely, the logarithmic formulation and the quadratic formulation), and proposed the accelerated DC algorithm (BDCA)…
Efficient solution of the lowest eigenmodes is studied for a family of related eigenvalue problems with common $2\times 2$ block structure. It is assumed that the upper diagonal block varies between different versions while the lower diagonal block and the range of the coupling blocks remains unchanged. Such block structure naturally arises when studying the effect of a subsystem to the eigenmodes of the full system. The proposed method is based on interpolation of the resolvent function after some of its singularities have been removed by a spectral projection. Singular value decomposition ca…
Motivated by the conjectures formulated in 2003 by Tunçel et al., we study interlacing properties of the eigenvalues of $A\otimes B + B\otimes A$ for pairs of $n$-by-$n$ matrices $A, B$. We prove that for every pair of symmetric matrices (and skew-symmetric matrices) with one of them at most rank two, the \emph{odd spectrum} (those eigenvalues determined by skew-symmetric eigenvectors) of $A\otimes B + B\otimes A$ interlaces its \emph{even spectrum} (those eigenvalues determined by symmetric eigenvectors). Using this result, we also show that when $n \leq 3$, the odd spectrum of $A\otimes B + …
The central importance of large scale eigenvalue problems in scientific computation necessitates the development of massively parallel algorithms for their solution. Recent advances in dense numerical linear algebra have enabled the routine treatment of eigenvalue problems with dimensions on the order of hundreds of thousands on the world's largest supercomputers. In cases where dense treatments are not feasible, Krylov subspace methods offer an attractive alternative due to the fact that they do not require storage of the problem matrices. However, demonstration of scalability of either of th…
A thick-restart Lanczos type algorithm is proposed for Hermitian $J$-symmetric matrices. Since Hermitian $J$-symmetric matrices possess doubly degenerate spectra or doubly multiple eigenvalues with a simple relation between the degenerate eigenvectors, we can improve the convergence of the Lanczos algorithm by restricting the search space of the Krylov subspace to that spanned by one of each pair of the degenerate eigenvector pairs. We show that the Lanczos iteration is compatible with the $J$-symmetry, so that the subspace can be split into two subspaces that are orthogonal to each other. The…
