Related papers: Improved automatic computation of Hessian matrix s…
We provide two new methods for computing lower bounds of eigenvalues of symmetric elliptic second-order differential operators with mixed boundary conditions of Dirichlet, Neumann, and Robin type. The methods generalize ideas of Weinstein's…
Large-scale eigenvalue problems pose a significant challenge to classical computers. While there are efficient quantum algorithms for unitary or Hermitian matrices, eigenvalue problems for non-normal matrices remain open in quantum…
We propose two easy-to-implement fast algorithms based on moment-matching to compute the nonlocal potential $\varphi(\textbf{x})=(U\ast \rho)(\textbf{x})$ on bounded domain, where the kernel $U$ is singular at the origin and the density…
In this paper we present an iterative method, inspired by the inverse iteration with shift technique of finite linear algebra, designed to find the eigenvalues and eigenfunctions of the Laplacian with homogeneous Dirichlet boundary…
Nonlinear spectral problems arise across a range of fields, including mechanical vibrations, fluid-solid interactions, and photonic crystals. Discretizing infinite-dimensional nonlinear spectral problems often introduces significant…
Subspace methods are commonly used for finding approximate eigenvalues and singular values of large-scale matrices. Once a subspace is found, the Rayleigh-Ritz method (for symmetric eigenvalue problems) and Petrov-Galerkin projection (for…
To understand the dynamics of optimization in deep neural networks, we develop a tool to study the evolution of the entire Hessian spectrum throughout the optimization process. Using this, we study a number of hypotheses concerning…
Eigenvalue estimates that are optimal in some sense have self-evident appeal and leave estimators with a sense of virtue and economy. So, it is natural that ongoing searches for effective strategies for difficult tasks such as estimating…
Two numerical algorithms are proposed for computing an interval matrix containing the matrix gamma function. In 2014, the author presented algorithms for enclosing all the eigenvalues and basis of invariant subspaces of $A \in \mathbb{C}^{n…
We propose a numerical method for solving high dimensional fully nonlinear partial differential equations (PDEs). Our algorithm estimates simultaneously by backward time induction the solution and its gradient by multi-layer neural…
In this work we revisit the arithmetic and bit complexity of Hermitian eigenproblems. Recently, [BGVKS, FOCS 2020] proved that a (non-Hermitian) matrix can be diagonalized with a randomized algorithm in $O(n^{\omega}\log^2(n/\epsilon))$…
An algorithm for the direct inversion of the linear systems arising from Nystrom discretization of integral equations on one-dimensional domains is described. The method typically has O(N) complexity when applied to boundary integral…
A simple and efficient variational method is introduced to accelerate the convergence of the eigenenergy computations for a Hamiltonian H with singular potentials. Closed-form analytic expressions in N dimensions are obtained for the matrix…
We study the problem of approximating the eigenspectrum of a symmetric matrix $\mathbf A \in \mathbb{R}^{n \times n}$ with bounded entries (i.e., $\|\mathbf A\|_{\infty} \leq 1$). We present a simple sublinear time algorithm that…
Starting from a comparison of some established numerical algorithms for the computation of the eigenvalues (discrete or solitonic spectrum) of the non-Hermitian version of the Zakharov-Shabat spectral problem, this article delivers new…
This work presents a novel matrix-based method for constructing an approximation Hessian using only function evaluations. The method requires less computational power than interpolation-based methods and is easy to implement in matrix-based…
The self-consistent procedure in electronic structure calculations is revisited using a highly efficient and robust algorithm for solving the non-linear eigenvector problem i.e. H({{\psi}}){\psi} = E{\psi}. This new scheme is derived from a…
The performance of optimization methods is often tied to the spectrum of the objective Hessian. Yet, conventional assumptions, such as smoothness, do often not enable us to make finely-grained convergence statements -- particularly not for…
Linear scaling density matrix methods typically do not provide individual eigenvectors and eigenvalues of the Fock/Kohn-Sham matrix, so additional work has to be performed if they are needed. Spectral transformation techniques facilitate…
Nonlinear optical spectroscopies are powerful tools for probing quantum dynamics in molecular and nanoscale systems. While intuition about ultrafast spectroscopies is often built by considering impulsive optical pulses, actual experiments…