An operator analogue of the FEAST matrix eigensolver is developed to compute the discrete part of the spectrum of a differential operator in a region of interest in the complex plane. Unbounded search regions are handled with a novel rational filter for the right half-plane. If the differential operator is normal or self-adjoint, then the operator analogue preserves that structure and robustly computes eigenvalues to near machine precision accuracy. The algorithm is particularly adept at computing high-frequency modes of differential operators that possess self-adjoint structure with respect to weighted Hilbert spaces.
The FEAST eigenvalue algorithm is a subspace iteration algorithm that uses contour integration in the complex plane to obtain the eigenvectors of a matrix for the eigenvalues that are located in any user-defined search interval. By computing small numbers of eigenvalues in specific regions of the complex plane, FEAST is able to naturally parallelize the solution of eigenvalue problems by solving for multiple eigenpairs simultaneously. The traditional FEAST algorithm is implemented by directly solving collections of shifted linear systems of equations; in this paper, we describe a variation of …
The linear FEAST algorithm is a method for solving linear eigenvalue problems. It uses complex contour integration to calculate the eigenvectors whose eigenvalues that are located inside some user-defined region in the complex plane. This makes it possible to parallelize the process of solving eigenvalue problems by simply dividing the complex plane into a collection of disjoint regions and calculating the eigenpairs in each region independently of the eigenpairs in the other regions. In this paper we present a generalization of the linear FEAST algorithm that can be used to solve nonlinear ei…
The FEAST algorithm is a subspace iteration method that uses a spectral projector as a rational filter in order to efficiently solve interior eigenvalue problems in parallel. Although the solutions from the FEAST algorithm converge rapidly in many cases, convergence can be slow in situations where the eigenvalues of a matrix are densely populated near the edges of the search interval of interest, which can be detrimental to parallel load balancing. This work introduces two methods that allow one to improve the convergence robustness of the FEAST algorithm in these situations without having to …
We present a variant of the FEAST matrix eigensolver for solving restricted real and symmetric eigenvalue problems. The method is derived from a combination of a variant of the FEAST method, which employs two contour integrals per iteration, and a power subspace iteration process. Compared with the original FEAST method, our new method does not require that the search subspace dimension must be greater than or equal to the number of eigenvalues inside a search interval, and can deal with narrow search intervals more effectively. Empirically, the FEAST iteration and the power subspace iteration…
The FEAST method for solving large sparse eigenproblems is equivalent to subspace iteration with an approximate spectral projector and implicit orthogonalization. This relation allows to characterize the convergence of this method in terms of the error of a certain rational approximant to an indicator function. We propose improved rational approximants leading to FEAST variants with faster convergence, in particular, when using rational approximants based on the work of Zolotarev. Numerical experiments demonstrate the possible computational savings especially for pencils whose eigenvalues are …
A detailed new upgrade of the FEAST eigensolver targeting non-Hermitian eigenvalue problems is presented and thoroughly discussed. It aims at broadening the class of eigenproblems that can be addressed within the framework of the FEAST algorithm. The algorithm is ideally suited for computing selected interior eigenvalues and their associated right/left bi-orthogonal eigenvectors,located within a subset of the complex plane. It combines subspace iteration with efficient contour integration techniques that approximate the left and right spectral projectors. We discuss the various algorithmic cho…
This paper considers computing partial eigenpairs of differential eigenvalue problems (DEPs) such that eigenvalues are in a certain region on the complex plane. Recently, based on a "solve-then-discretize" paradigm, an operator analogue of the FEAST method has been proposed for DEPs without discretization of the coefficient operators. Compared to conventional "discretize-then-solve" approaches that discretize the operators and solve the resulting matrix problem, the operator analogue of FEAST exhibits much higher accuracy; however, it involves solving a large number of ordinary differential eq…
Calculating portions of eigenvalues and eigenvectors of matrices or matrix pencils has many applications. An approach to this calculation for Hermitian problems based on a density matrix has been proposed in 2009 and a software package called FEAST has been developed. The density-matrix approach allows FEAST's implementation to exploit a key strength of modern computer architectures, namely, multiple levels of parallelism. Consequently, the software package has been well received and subsequently commercialized. A detailed theoretical analysis of Hermitian FEAST has also been established very …
Contour integration techniques have become a popular choice for solving the linear and non-linear eigenvalue problems. They principally include the Sakurai-Sugiura methods, the Beyn's algorithm, the FEAST/NLFEAST algorithms and other rational filtering techniques. While these methods can result in effective 'black-box' approach for solving linear eigenvalue problems, they still present several shortcomings for addressing nonlinear eigenvalue problems which are both mathematically and practically far more challenging. In this paper, we introduce a new hybrid algorithm that advantageously combin…
Non-Linear Least-Squares Optimization of Rational Filters for the Solution of Interior Eigenvalue Problems
RWTH Aachen University（亚琛工业大学）；Jülich Supercomputing Centre, Institute for Advanced Simulation, Forschungszentrum Jülich GmbH（于利希超级计算中心，先进模拟研究所，于利希研究中心有限公司）
In this paper, a Parallel Direct Eigensolver for Sequences of Hermitian Eigenvalue Problems with no tridiagonalization is proposed, denoted by \texttt{PDESHEP}, and it combines direct methods with iterative methods. \texttt{PDESHEP} first reduces a Hermitian matrix to its banded form, then applies a spectrum slicing algorithm to the banded matrix, and finally computes the eigenvectors of the original matrix via backtransform. Therefore, compared with conventional direct eigensolvers, \texttt{PDESHEP} avoids tridiagonalization, which consists of many memory-bounded operations. In this work, the…
In this paper we present benchmark problems for non-selfadjoint elliptic eigenvalue problems with large defect and ascent. We describe the derivation of the benchmark problem with a discontinuous coefficient and mixed boundary conditions. Numerical experiments are performed to investigate the convergence of a Galerkin finite element method with respect to the discretization parameters, the regularity of the problem, and the ascent of the eigenvalue. This allows us to verify the sharpness of the theoretical estimates from the literature with respect to these parameters. We provide numerical evi…
Jacobi-Galerkin spectral method for eigenvalue problems of Riesz fractional differential equations
Beijing Computational Sciences and Research Center（北京计算科学研究中心）；Division of Applied Mathematics, Brown University（布朗大学应用数学系）；State Key Laboratory of Computer Science/Laboratory of Parallel Computing, Institute of Software, Chinese Academy of Sciences（中国科学院软件研究所）
In this paper a novel numerical approximation of parametric eigenvalue problems is presented. We motivate our study with the analysis of a POD reduced order model for a simple one dimensional example. In particular, we introduce a new algorithm capable to track the matching of eigenvalues when the parameters vary.
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…
We discuss the solution of eigenvalue problems associated with partial differential equations that can be written in the generalized form $\m{A}x=λ\m{B}x$, where the matrices $\m{A}$ and/or $\m{B}$ may depend on a scalar parameter. Parameter dependent matrices occur frequently when stabilized formulations are used for the numerical approximation of partial differential equations. With the help of classical numerical examples we show that the presence of one (or both) parameters can produce unexpected results.
We discuss the approximation of eigenvalue problems associated with elliptic partial differential equations using the virtual element method. After recalling the abstract theory, we present a model problem, describing in detail the features of the scheme, and highligting the effects of the stabilizing parameters. We conlcude the discussion with a survey of several application examples.
In this paper we discuss spectral properties of operators associated with the least-squares finite element approximation of elliptic partial differential equations. The convergence of the discrete eigenvalues and eigenfunctions towards the corresponding continuous eigenmodes is studied and analyzed with the help of appropriate $L^2$ error estimates. A priori and a posteriori estimates are proved.
Often the easiest way to discretize an ordinary or partial differential equation is by a rectangular numerical method, in which n basis functions are sampled at m>>n collocation points. We show how eigenvalue problems can be solved in this setting by QR reduction to square matrix generalized eigenvalue problems. The method applies equally in the limit "m=infinity" of eigenvalue problems for quasimatrices. Numerical examples are presented as well as pointers to some related literature.
This paper introduces bootstrap multigrid methods for solving eigenvalue problems arising from the discretization of partial differential equations. Inspired by the full bootstrap algebraic multigrid (BAMG) setup algorithm that includes an AMG eigensolver, it is illustrated how the algorithm can be simplified for the case of a discretized partial differential equation (PDE), thereby developing a bootstrap geometric multigrid (BMG) approach. We illustrate numerically the efficacy of the BMG method for: (1) recovering eigenvalues having large multiplicity, (2) computing interior eigenvalues, and…
In this paper the discrete eigenvalues of elliptic second order differential operators in $L^2(\mathbb{R}^n)$, $n \in \mathbb{N}$, with singular $δ$- and $δ'$-interactions are studied. We show the self-adjointness of these operators and derive equivalent formulations for the eigenvalue problems involving boundary integral operators. These formulations are suitable for the numerical computations of the discrete eigenvalues and the corresponding eigenfunctions by boundary element methods. We provide convergence results and show numerical examples.
Contour-integral based quantum eigenvalue transformation: analysis and applications
School of Mathematical Sciences, Peking University（北京大学数学科学学院）；Beijing International Center for Mathematical Research, Peking University（北京大学北京国际数学研究中心）
A new approach to solving eigenvalue optimization problems for large structured matrices is proposed and studied. The class of optimization problems considered is related to computing structured pseudospectra and their extremal points, and to structured matrix nearness problems such as computing the structured distance to instability or to singularity. The structure can be a general linear structure and includes, for example, large matrices with a given sparsity pattern, matrices with given range and co-range, and Hamiltonian matrices. Remarkably, the eigenvalue optimization can be performed o…
Department of Mathematics, Princeton University（普林斯顿大学数学系）；Department of Mathematics, Duke University（杜克大学数学系）；Department of Physics, and Department of Chemistry, Duke University（杜克大学物理系和杜克大学化学系）
We propose a new method to solve eigenvalue problems for linear and semilinear second order differential operators in high dimensions based on deep neural networks. The eigenvalue problem is reformulated as a fixed point problem of the semigroup flow induced by the operator, whose solution can be represented by Feynman-Kac formula in terms of forward-backward stochastic differential equations. The method shares a similar spirit with diffusion Monte Carlo but augments a direct approximation to the eigenfunction through neural-network ansatz. The criterion of fixed point provides a natural loss …
