Related papers: A Density Matrix-based Algorithm for Solving Eigen…
In multi-objective optimization, computing the entire non-dominated set (also known as the Pareto front or the Pareto frontier) is often intractable. However, for any multiplicative factor greater than one, an approximation set can be…
In this paper, we consider the tensor eigenvalue complementarity problem which is closely related to the optimality conditions for polynomial optimization, as well as a class of differential inclusions with nonconvex processes. By…
We present an algorithm and its parallel implementation for solving a self consistent problem as encountered in Hartree Fock or Density Functional Theory. The algorithm takes advantage of the sparsity of matrices through the use of local…
An algorithm named EigenWave is described to compute eigenvalues and eigenvectors of elliptic boundary value problems. The algorithm, based on the recently developed WaveHoltz scheme, solves a related time-dependent wave equation as part of…
This paper proposes a new hybrid high-order discretization for the biharmonic problem and the corresponding eigenvalue problem. The discrete ansatz space includes degrees of freedom in $n-2$ dimensional submanifolds (e.g., nodal values in…
We describe a numerical algorithm for approximating the equilibrium-reduced density matrix and the effective (mean force) Hamiltonian for a set of system spins coupled strongly to a set of bath spins when the total system (system+bath) is…
Auto-Encoder (AE)-based deep subspace clustering (DSC) methods have achieved impressive performance due to the powerful representation extracted using deep neural networks while prioritizing categorical separability. However,…
In two and three dimensions, we analyze a finite element method to approximate the solutions of an eigenvalue problem arising from neutron transport. We derive the eigenvalue problem of interest, which results to be non-symmetric. Under a…
Coupled decompositions are a widely used tool for data fusion. As the volume of data increases, so does the dimensionality of matrices and tensors, highlighting the need for more efficient coupled decomposition algorithms. This paper…
An efficient algorithm for computing eigenvectors of a matrix of integers by exact computation is proposed. The components of calculated eigenvectors are expressed as polynomials in the eigenvalue to which the eigenvector is associated, as…
The developments of quantum computing algorithms and experiments for atomic scale simulations have largely focused on quantum chemistry for molecules, while their application in condensed matter systems is scarcely explored. Here we present…
A general framework based on Gaussian models and a MAP-EM algorithm is introduced in this paper for solving matrix/table completion problems. The numerical experiments with the standard and challenging movie ratings data show that the…
This paper studies stochastic minimization of a finite-sum loss $ F (\mathbf{x}) = \frac{1}{N} \sum_{\xi=1}^N f(\mathbf{x};\xi) $. In many real-world scenarios, the Hessian matrix of such objectives exhibits a low-rank structure on a batch…
Recently we proposed an information entropy based method for electronic structure calculations within the density-matrix functional theory(DMFT) (Phys. Rev. Lett. 128, 013001), dubbed as $i$-DMFT. Comments have been raised regarding the…
This paper proposes a new algorithm, named Householder Dice (HD), for simulating dynamics on dense random matrix ensembles with translation-invariant properties. Examples include the Gaussian ensemble, the Haar-distributed random orthogonal…
In this paper, we present a nonnested augmented subspace algorithm and its multilevel correction method for solving eigenvalue problems with curved interfaces. The augmented subspace algorithm and the corresponding multilevel correction…
In this paper we present an efficient algorithm to compute the eigen decomposition of a matrix that is a weighted sum of the self outer products of vectors such as a covariance matrix of data. A well known algorithm to compute the eigen…
Convolutional Neural Network (CNN) is a very powerful approach to extract discriminative local descriptors for effective image search. Recent work adopts fine-tuned strategies to further improve the discriminative power of the descriptors.…
In this work, we introduce a highly efficient algorithm to address the nonnegative matrix underapproximation (NMU) problem, i.e., nonnegative matrix factorization (NMF) with an additional underapproximation constraint. NMU results are…
Quantum Approximate Optimization Algorithm (QAOA) and Quantum Annealing are prominent approaches for solving combinatorial optimization problems, such as those formulated as Quadratic Unconstrained Binary Optimization (QUBO). These…