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Markov chain Monte Carlo methods have become popular in statistics as versatile techniques to sample from complicated probability distributions. In this work, we propose a method to parameterize and train transition kernels of Markov chains…
Weight binarization has emerged as a promising strategy to reduce the complexity of large language models (LLMs). Existing approaches fall into post-training binarization, which is simple but causes severe performance loss, and…
Using the message-passing mechanism in machine learning (ML) instead of self-consistent iterations to directly build the mapping from structures to electronic Hamiltonian matrices will greatly improve the efficiency of density functional…
We present simple, user-friendly bounds for the expected operator norm of a random kernel matrix under general conditions on the kernel function $k(\cdot,\cdot)$. Our approach uses decoupling results for U-statistics and the non-commutative…
In the present work, an attempted was made to develop a numerical algorithm by the use of new orthogonal hybrid functions formed from hybrid of piecewise constant orthogonal sample-and-hold functions and piecewise linear orthogonal…
The structure of weighting coefficient matrices of Harmonic Differential Quadrature (HDQ) is found to be either centrosymmetric or skew centrosymmetric depending on the order of the corresponding derivatives. The properties of both matrices…
Many quantum algorithms for numerical linear algebra assume black-box access to a block-encoding of the matrix of interest, which is a strong assumption when the matrix is not sparse. Kernel matrices, which arise from discretizing a kernel…
The bilateral and nonlocal means filters are instances of kernel-based filters that are popularly used in image processing. It was recently shown that fast and accurate bilateral filtering of grayscale images can be performed using a…
This manuscript presents an adaptive high order discretization technique for elliptic boundary value problems. The technique is applied to an updated version of the Hierarchical Poincar\'e-Steklov (HPS) method. Roughly speaking, the HPS…
In an iterative approach for solving linear systems with ill-conditioned, symmetric positive definite (SPD) kernel matrices, both fast matrix-vector products and fast preconditioning operations are required. Fast (linear-scaling)…
We introduce a novel kernel-based framework for learning differential equations and their solution maps that is efficient in data requirements, in terms of solution examples and amount of measurements from each example, and computational…
In the present work, we demonstrate how the pseudoinverse concept from linear algebra can be used to represent and analyze the boundary conditions of linear systems of partial differential equations. This approach has theoretical and…
Hardware trends favor algorithm designs that maximize data reuse per FLOP. We develop and benchmark high-performance Multipole-to-Local (M2L) translation operators for the kernel-independent Fast Multipole Method (kiFMM), a widely adopted…
While quantum algorithms for solving large scale systems of linear equations offer potentially exponential speedups, their application has largely been confined to sparse matrices. This work extends the scope of these algorithms to a broad…
In this paper we show that we can use a modified version of the h-p spectral element method proposed in \cite{duttora1,duttom,duttora2,tomarth} to solve elliptic problems with general boundary conditions to exponential accuracy on polygonal…
This article deals with the adaptive and approximative computation of the Lam\'e equations. The equations of linear elasticity are considered as boundary integral equations and solved in the setting of the boundary element method (BEM).…
A typical system of k difference (or differential) equations can be compressed, or folded into a difference (or ordinary differential) equation of order k. Such foldings appear in control theory as the canonical forms of the controllability…
This article considers a model problem of elastoplasticity with linearly kinematic hardening and presents hp-finite element discretizations of two equivalent weak formulations each having their respective advantages. A mixed variational…
We consider a compression method for boundary element matrices arising in the context of the computation of electrostatic fields. Green cross approximation combines an analytic approximation of the kernel function based on Green's…
Semi-empirical quantum chemistry has recently seen a renaissance with applications in high-throughput virtual screening and machine learning. The simplest semi-empirical model still in widespread use in chemistry is H\"uckel's…