Related papers: An error control framework for computing the expon…
Given a set of matrices, modeled as samples of a matrix-valued function, we suggest a method to approximate the underline function using a product approximation operator. This operator extends known approximation methods by exploiting the…
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 consider learning to optimize a classification metric defined by a black-box function of the confusion matrix. Such black-box learning settings are ubiquitous, for example, when the learner only has query access to the metric of…
As a cornerstone of automated reasoning, equational reasoning finds equivalences between symbolic expressions and fuels advances across scientific disciplines. Yet, its potential remains limited by the exponential growth of equivalent…
This study introduces a novel estimation method for the entries and structure of a matrix $A$ in the linear factor model $\mathbf{X} = A\textbf{Z} + \textbf{E}$. This is applied to an observable vector $\mathbf{X} \in \mathbb{R}^d$ with…
The iterative method of Sinkhorn allows, starting from an arbitrary real matrix with non-negative entries, to find a so-called 'scaled matrix' which is doubly stochastic, i.e. a matrix with all entries in the interval (0, 1) and with all…
We propose a new nonconforming finite element algorithm to approximate the solution to the elliptic problem involving the fractional Laplacian. We first derive an integral representation of the bilinear form corresponding to the variational…
The data input model is a fundamental component of every quantum algorithm, as its efficiency is crucial for achieving potential speed-ups over classical methods. For quantum linear algebra tasks that utilize quantum eigenvalue or singular…
Understanding the confidence with which a machine learning model classifies an input datum is an important, and perhaps under-investigated, concept. In this paper, we propose a new calibration metric, the Entropic Calibration Difference…
A fast algorithm for the approximate multiplication of matrices with decay is introduced; the Sparse Approximate Matrix Multiply (SpAMM) reduces complexity in the product space, a different approach from current methods that economize…
We present new algorithms to detect and correct errors in the product of two matrices, or the inverse of a matrix, over an arbitrary field. Our algorithms do not require any additional information or encoding other than the original inputs…
Fast estimation of the single-particle density matrix is key to many applications in quantum chemistry and condensed matter physics. The best numerical methods leverage the fact that the density matrix elements $f(H)_{ij}$ decay rapidly…
Bayesian Model Calibration is used to revisit the problem of scaling factor calibration for semi-empirical correction of ab initio harmonic properties (e.g. vibrational frequencies and zero-point energies). A particular attention is devoted…
In this thesis, a Bayes linear methodology for the adjustment of covariance matrices is presented and discussed. A geometric framework for quantifying uncertainties about covariance matrices is set up, and an inner-product for spaces of…
The polar decomposition for a matrix $A$ is $A=UB$, where $B$ is a positive Hermitian matrix and $U$ is unitary (or, if $A$ is not square, an isometry). This paper shows that the ability to apply a Hamiltonian $\pmatrix{ 0 & A^\dagger \cr A…
Approximate Bayesian Computation (ABC) is a powerful method for carrying out Bayesian inference when the likelihood is computationally intractable. However, a drawback of ABC is that it is an approximate method that induces a systematic…
A novel matrix approximation problem is considered herein: observations based on a few fully sampled columns and quasi-polynomial structural side information are exploited. The framework is motivated by quantum chemistry problems wherein…
In this paper, we consider an image coding process consisting of the following four steps: a direct transformation, a direct quantization, an inverse quantization, and an inverse transformation, where Hadamard transforms are used for the…
The complexity of matrix multiplication (hereafter MM) has been intensively studied since 1969, when Strassen surprisingly decreased the exponent 3 in the cubic cost of the straightforward classical MM to log 2 (7) $\approx$ 2.8074.…
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…