Related papers: Efficient evaluation of AGP reduced density matric…
We develop and modify the Adomian decomposition method (ADecM) to work for a new type of nonlinear matrix differential equations (MDE's) which arise in general relativity (GR) and possibly in other applications. The approach consists in…
We study the one-body reduced density matrix of a system of $N$ one-dimensional impenetrable anyons trapped by a harmonic potential. To this purpose we extend two methods developed to tackle related problems, namely the determinant approach…
Large models and enormous data are essential driving forces of the unprecedented successes achieved by modern algorithms, especially in scientific computing and machine learning. Nevertheless, the growing dimensionality and model…
Following several decades of successive algorithmic improvements, works from the 2010s have showed how to compute the Hermite normal form (HNF) of a univariate polynomial matrix within a complexity bound which is essentially that of…
Renewed interest in mixed-precision algorithms has emerged due to growing data capacity and bandwidth concerns, as well as the advancement of GPUs, which enable significant speedup for low precision arithmetic. In light of this, we propose…
Algebraic multigrid (AMG) is often an effective solver for symmetric positive definite (SPD) linear systems resulting from the discretization of general elliptic PDEs, or the spatial discretization of parabolic PDEs. However, convergence…
The purpose of this paper is to introduce two new classes of accelerated distributed proximal conjugate gradient algorithms for multi-agent constrained optimization problems; given as minimization of a function decomposed as a sum of M…
We present a new paradigm for speeding up randomized computations of several frequently used functions in machine learning. In particular, our paradigm can be applied for improving computations of kernels based on random embeddings. Above…
Traditional numerical methods for calculating matrix eigenvalues are prohibitively expensive for high-dimensional problems. Iterative random sparsification methods allow for the estimation of a single dominant eigenvalue at reduced cost by…
We present an approach for the calculation of spin density distributions for molecules that require very large active spaces for a qualitatively correct description of their electronic structure. Our approach is based on the density-matrix…
High-Entropy Materials are composed of multiple elements on comparatively simpler lattices. Due to the multicomponent nature of such materials, the atomic scale sampling is computationally expensive due to the combinatorial complexity. We…
A new method is presented which allows time averaged density matrices of closed quantum systems to be computed via a constraint overlap maximization. Due to its simplicity, this method can be combined with algorithms based on tensor…
In order to treat tensor force explicitly, we propose a microscopic model for nuclear structure based on antisymmetrized molecular dynamics (AMD). As a result of the present study, it is found that some extentions of the AMD method are…
We give polynomial-time randomized algorithms for computing the girth and the cogirth of binary matroids that are low-rank perturbations of graphic matroids.
We introduce the Nuclear Electronic All-Particle Density Matrix Renormalization Group (NEAP-DMRG) method for solving the time-independent Schr\"odinger equation simultaneously for electrons and other quantum species. In contrast to already…
We develop a density matrix renormalization group (DMRG) algorithm for constrained quantum lattice models that successfully {\it{implements the local constraints as symmetries in the contraction of the matrix product states and matrix…
A new O(N) algorithm based on a recursion method, in which the computational effort is proportional to the number of atoms N, is presented for calculating the inverse of an overlap matrix which is needed in electronic structure calculations…
In this paper, we investigate the reconstruction of a bivariate function from weighted edge integrals on a triangular mesh, a problem of central importance in tomography, computer vision, and numerical approximation. Our approach is based…
We propose a strategy for the generation of fast and accurate versions of non-commutative recursive matrix multiplication algorithms. To generate these algorithms, we consider matrix and tensor norm bounds governing the stability and…
We consider the problem of recovering an unknown low-rank matrix X with (possibly) non-orthogonal, effectively sparse rank-1 decomposition from measurements y gathered in a linear measurement process A. We propose a variational formulation…