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We introduce an efficient method to construct optimal and system adaptive basis sets for use in electronic structure and quantum Monte Carlo calculations. The method is based on an embedding scheme in which a reference atom is singled out…
We study several variants of decomposing a symmetric matrix into a sum of a low-rank positive semidefinite matrix and a diagonal matrix. Such decompositions have applications in factor analysis and they have been studied for many decades.…
Algebraic multigrid (AMG) coarse spaces are commonly constructed so that they exhibit the so-called weak approximation (WAP) property which is necessary and sufficient condition for uniform two-grid convergence. This paper studies a…
We propose new algorithms for computing triangular decompositions of polynomial systems incrementally. With respect to previous works, our improvements are based on a {\em weakened} notion of a polynomial GCD modulo a regular chain, which…
We develop a variant of the density matrix renormalization group (DMRG) algorithm for two-dimensional cylinders that uses a real space representation along the cylinder and a momentum space representation in the perpendicular direction. The…
The antisymmetrized geminal power (AGP), a wave function equivalent to number-projected Hartree--Fock--Bogoliubov (HFB), and number-projected Bardeen--Cooper--Schrieffer (BCS) when working in the paired (natural orbitals) basis, has proven…
Image reconstruction by Algebraic Methods (AM) outperforms the transform methods in situations where the data collection procedure is constrained by time, space, and radiation dose. AM algorithms can also be applied for the cases where…
The tensor rank decomposition, also known as canonical polyadic(CP) or simply tensor decomposition, has a long history in multilinear algebra. However, computing a rank decomposition becomes particularly challenging when the rank lies…
In this paper we give an introduction to the numerical density matrix renormalization group (DMRG) algorithm, from the perspective of the more general matrix product state (MPS) formulation. We cover in detail the differences between the…
In the numerical analysis of strongly correlated quantum lattice models one of the leading algorithms developed to balance the size of the effective Hilbert space and the accuracy of the simulation is the density matrix renormalization…
The numerical study of anyonic systems is known to be highly challenging due to their non-bosonic, non-fermionic particle exchange statistics, and with the exception of certain models for which analytical solutions exist, very little is…
General Matrix Multiplication (GEMM) is a fundamental operation in many scientific workloads, signal processing, and particularly deep learning. It is often a bottleneck for performance and energy efficiency, especially in edge environments…
Algebraic Multigrid (AMG) methods are state-of-the-art algebraic solvers for partial differential equations. Still, their efficiency depends heavily on the choice of suitable parameters and/or ingredients. Paradigmatic examples include the…
This paper proposes Inverse Gram Matrix (IGM) methods to prioritize the Pairwise Reciprocal Matrix (PRM) in the Analytic Hierarchy Process. The IGM methods include Pseudo-IGM, Normalized-IGM, and Lagrange-IGM. Interestingly, the proposed…
We present an algorithm to reduce the computational effort for the multiplication of a given matrix with an unknown column vector. The algorithm decomposes the given matrix into a product of matrices whose entries are either zero or integer…
We introduce a hybrid approach to applying the density matrix renormalization group (DMRG) to continuous systems, combining a grid approximation along one direction with a finite Gaussian basis set along the remaining two directions. This…
Two targeting schemes have been known for the density matrix renormalization group (DMRG) applied to non-Hermitian problems; one uses an asymmetric density matrix and the other uses symmetric density matrix. We compare the numerical…
We describe a new algorithm for Gaussian Elimination suitable for general (unsymmetric and possibly singular) sparse matrices, of any entry type, which has a natural parallel and distributed-memory formulation but degrades gracefully to…
We present an algorithm for computing a spectral decomposition of an interval matrix as an enclosure of spectral decompositions of particular realizations of interval matrices. The algorithm relies on tight outer estimations of eigenvalues…
We evaluate typical performance of irregular low-density generator-matrix (LDGM) codes, which is defined by sparse matrices with arbitrary irregular bit degree distribution and arbitrary check degree distribution, for lossy compression. We…