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Based on the weighted and shifted Gr\"{u}nwald difference (WSGD) operators [24], we further construct the compact finite difference discretizations for the fractional operators. Then the discretization schemes are used to approximate the…
We present a novel graph-theoretic approach to simplifying generic many-body Hamiltonians. Our primary result introduces a recursive twin-collapse algorithm, leveraging the identification and elimination of symmetric vertex pairs (twins),…
In this article, we present an interpolative separable density fitting (ISDF) based algorithm to calculate exact exchange in periodic mean field calculations. In the past, decomposing the two-electron integrals into tensor hypercontraction…
Consider a population consisting of clusters of sampling units, evolving temporally, spatially, or according to other dynamics. We wish to monitor the evolution of its means, medians, or other parameters. For administrative convenience and…
Bayesian inference for models with intractable likelihoods, such as Markov random fields, poses a fundamental computational challenge due to the tradeoff between inferential accuracy and computational cost. Various MCMC methods have been…
A variety of problems in computational physics and engineering require the convolution of the heat kernel (a Gaussian) with either discrete sources, densities supported on boundaries, or continuous volume distributions. We present a unified…
We study representation theory of the partially transposed permutation matrix algebra, a matrix representation of the diagrammatic walled Brauer algebra. This algebra plays a prominent role in mixed Schur-Weyl duality that appears in…
We describe and demonstrate the potential of a new and very efficient method for simulating certain classes of modified gravity theories, such as the widely studied $f(R)$ gravity models. High resolution simulations for such models are…
We explore two classes of exponential integrators in this letter to design nonlinear Fourier transform (NFT) algorithms with a desired accuracy-complexity trade-off and a convergence order of $4$ on an equispaced grid. The integrating…
The most advanced techniques using fault-tolerant quantum computers to estimate the ground-state energy of a chemical Hamiltonian involve compression of the Coulomb operator through tensor factorizations, enabling efficient block-encodings…
Electric power systems require accurate, scalable, distributed, and near real-time state estimation (SE) to support reliable monitoring and control under increasingly complex operating conditions. Limited monitoring capabilities can lead to…
In this work, we extend the fractional linear multistep methods in [C. Lubich, SIAM J. Math. Anal., 17 (1986), pp.704--719] to the tempered fractional integral and derivative operators in the sense that the tempered fractional derivative…
Response calculations in density functional theory aim at computing the change in ground-state density induced by an external perturbation. At finite temperature these are usually performed by computing variations of orbitals, which involve…
In this paper we want to propose practical numerical methods to solve a class of initial-boundary problem of time-space fractional convection-diffusion equations (TSFCDEs). To start with, an implicit difference method based on two-sided…
In a recent work we presented a recursive algorithm to compute the matrix elements of a generic Gaussian transformation in the photon-number basis. Its purpose was to evolve a quantum state by building the transformation matrix and…
We present a new adaptive method for electronic structure calculations based on novel fast algorithms for reduction of multivariate mixtures. In our calculations, spatial orbitals are maintained as Gaussian mixtures whose terms are selected…
In this paper, we propose a new exogenous model to address the problem of negative interest rates that preserves the analytical tractability of the original Cox-Ingersoll-Ross (CIR) model with a perfect fit to the observed term-structure.…
We develop and study stability properties of a hybrid approximation of functionals of the Bates jump model with stochastic interest rate that uses a tree method in the direction of the volatility and the interest rate and a…
We consider the problem of graph estimation in a zero-inflated Gaussian model. In this model, zero-inflation is obtained by double truncation (right and left) of a Gaussian vector. The goal is to recover the latent graph structure of the…
In the present scenario the recent engineering and industrial built-up units are facing hodgepodge of problems in a lot of aspects such as machining time, electricity, man power, raw material and customers constraints. The job-shop…