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The determination of ultra-long-range molecular potential curves has been reformulated using the Coulomb Greens function to give a solution in terms of the roots of an analytical determinantal equation. For a system consisting of one…

Atomic Physics · Physics 2025-11-25 Chris H. Greene , Matthew T. Eiles

Kernel methods are extensively employed for nonlinear data clustering, yet their effectiveness heavily relies on selecting suitable kernels and associated parameters, posing challenges in advance determination. In response, Multiple Kernel…

Machine Learning · Computer Science 2024-05-28 Yan Chen , Liang Du , Lei Duan

We introduce a fast Fourier spectral method for the spatially homogeneous Boltzmann equation with non-cutoff collision kernels. Such kernels contain non-integrable singularity in the deviation angle which arise in a wide range of…

Computational Physics · Physics 2020-10-28 Jingwei Hu , Kunlun Qi

In this paper we present a novel multiscale splitting approach to solve multiscale Schroedinger equation, which have large different time-scales. The energy potential is based on highly oscillating functions, which are magnitudes faster…

Numerical Analysis · Mathematics 2018-05-31 Juergen Geiser , Amirbahador Nasari

This article presents a new high-order accurate algorithm for finding a particular solution to a linear, constant-coefficient partial differential equation (PDE) by means of a convolution of the volumetric source function with the Green's…

Numerical Analysis · Mathematics 2022-10-20 Thomas G. Anderson , Hai Zhu , Shravan Veerapaneni

Ensembles of deep neural networks have achieved great success recently, but they do not offer a proper Bayesian justification. Moreover, while they allow for averaging of predictions over several hypotheses, they do not provide any…

Machine Learning · Computer Science 2021-06-23 Francesco D'Angelo , Vincent Fortuin , Florian Wenzel

Distributed functional scalar quantization (DFSQ) theory provides optimality conditions and predicts performance of data acquisition systems in which a computation on acquired data is desired. We address two limitations of previous works:…

Information Theory · Computer Science 2015-03-24 John Z. Sun , Vinith Misra , Vivek K Goyal

Distributed optimization has gained a surge of interest in recent years. In this paper we propose a distributed projection free algorithm named Distributed Conditional Gradient Sliding(DCGS). Compared to the state-of-the-art distributed…

Optimization and Control · Mathematics 2018-05-22 Yan Li , Chao Qu , Huan Xu

Kernels are key in machine learning for modeling interactions. Unfortunately, brute-force computation of the related kernel sums scales quadratically with the number of samples. Recent Fourier-slicing methods lead to an improved linear…

Numerical Analysis · Mathematics 2025-10-14 Nicolaj Rux , Johannes Hertrich , Sebastian Neumayer

Linear scaling quantum chemical methods for Density Functional Theory are extended to the condensed phase at the $\Gamma$-point. For the two-electron Coulomb matrix, this is achieved with a tree-code algorithm for fast Coulomb summation [J.…

Materials Science · Physics 2009-11-10 C. J. Tymczak , Matt Challacombe

Dense wavelength division multiplexing (DWDM) is one of the most successful methods for enhancing data transmission rates in both classical and quantum communication networks. Although signal multiplexing and demultiplexing are equally…

This paper introduces a new Windowed Green Function (WGF) method for the numerical integral-equation solution of problems of electromagnetic scattering by obstacles in presence of dielectric or conducting half-planes. The WGF method, which…

Computational Physics · Physics 2015-08-05 Oscar Bruno , Mark Lyon , Carlos Perez-Arancibia , Catalin Turc

Motivated by the discrete dipole approximation (DDA) for the scattering of electromagnetic waves by a dielectric obstacle that can be considered as a simple discretization of a Lippmann-Schwinger style volume integral equation for…

Numerical Analysis · Mathematics 2025-08-01 Martin Costabel , Monique Dauge , Khadijeh Nedaiasl

We propose a randomized block-coordinate variant of the classic Frank-Wolfe algorithm for convex optimization with block-separable constraints. Despite its lower iteration cost, we show that it achieves a similar convergence rate in duality…

Machine Learning · Computer Science 2013-01-15 Simon Lacoste-Julien , Martin Jaggi , Mark Schmidt , Patrick Pletscher

The Fast Multipole Method (FMM) is an efficient numerical algorithm for computation of long-ranged forces in $N$-body problems within gravitational and electrostatic fields. This method utilizes multipole expansions of the Green's function…

Machine Learning · Computer Science 2025-09-26 Emilio McAllister Fognini , Marta M. Betcke , Ben T. Cox

Two fundamental difficulties are encountered in the numerical evaluation of time-dependent layer potentials. One is the quadratic cost of history dependence, which has been successfully addressed by splitting the potentials into two parts -…

Numerical Analysis · Mathematics 2018-11-06 Leslie Greengard , Shidong Jiang , Jun Wang

We discuss efficient algorithms for the accurate forward and reverse evaluation of the discrete Fourier-Bessel transform (dFBT) as numerical tools to assist in the 2D polar convolution of two radially symmetric functions, relevant, e.g., to…

Computational Physics · Physics 2016-11-08 O. Melchert , M. Wollweber , B. Roth

Distributed training with synchronous stochastic gradient descent (SGD) on GPU clusters has been widely used to accelerate the training process of deep models. However, SGD only utilizes the first-order gradient in model parameter updates,…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-07-15 Shaohuai Shi , Lin Zhang , Bo Li

We present and analyze a new embedded--hybridized discontinuous Galerkin finite element method for the Stokes problem. The method has the attractive properties of full hybridized methods, namely an $H({\rm div})$-conforming velocity field,…

Numerical Analysis · Mathematics 2023-07-06 Sander Rhebergen , Garth N. Wells

The quantum correlations of $N$ noninteracting spinless fermions in their ground state can be expressed in terms of a two-point function called the kernel. Here we develop a general and compact method for computing the kernel in a general…

Statistical Mechanics · Physics 2021-03-05 David S. Dean , Pierre Le Doussal , Satya N. Majumdar , Gregory Schehr , Naftali R. Smith
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