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This paper presents an analysis of properties of two hybrid discretization methods for Gaussian derivatives, based on convolutions with either the normalized sampled Gaussian kernel or the integrated Gaussian kernel followed by central…

Numerical Analysis · Mathematics 2025-01-31 Tony Lindeberg

Aggregation equations are broadly used to model population dynamics with nonlocal interactions, characterized by a potential in the equation. This paper considers the inverse problem of identifying the potential from a single noisy…

Numerical Analysis · Mathematics 2022-10-12 Yuchen He , Sung Ha Kang , Wenjing Liao , Hao Liu , Yingjie Liu

We have developed a computational package for the calculation of numerically exact internal and external gravitational potential, its functional derivatives and sensitivity kernels, in an aspherical, heterogeneous planet. We detail our…

Geophysics · Physics 2025-08-12 Alex D. C. Myhill , Matthew A. Maitra , David Al-Attar

Efficient and accurate spectral solvers for nonlocal models in any spatial dimension are presented. The approach we pursue is based on the Fourier multipliers of nonlocal Laplace operators introduced in a previous work. It is demonstrated…

Numerical Analysis · Mathematics 2019-07-30 Bacim Alali , Nathan Albin

We propose an accurate algorithm for a novel sum-of-exponentials (SOE) approximation of kernel functions, and develop a fast algorithm for convolution quadrature based on the SOE, which allows an order $N$ calculation for $N$ time steps of…

Numerical Analysis · Mathematics 2021-10-25 Zixuan Gao , Jiuyang Liang , Zhenli Xu

Tomographic reconstruction, despite its revolutionary impact on a wide range of applications, suffers from its ill-posed nature in that there is no unique solution because of limited and noisy measurements. Therefore, in the absence of…

Applications · Statistics 2023-04-10 Agnimitra Dasgupta , Carlo Graziani , Zichao Wendy Di

We reconsider a nonparametric density model based on Gaussian processes. By augmenting the model with latent P\'olya--Gamma random variables and a latent marked Poisson process we obtain a new likelihood which is conjugate to the model's…

Machine Learning · Statistics 2018-05-30 Christian Donner , Manfred Opper

We present pseudo-potential coefficients for the first two rows of the periodic table. The pseudo potential is of a novel analytic form, that gives optimal efficiency in numerical calculations using plane waves as basis set. At most 7…

mtrl-th · Physics 2009-10-28 S. Goedecker , M. Teter , J. Hutter

An interesting fundamental problem in density-functional theory of electronic structure of matter is to construct the exact Kohn-Sham (KS) potential for a given density. The exact potential can then be used to assess the accuracy of…

Atomic and Molecular Clusters · Physics 2019-05-22 Ashish Kumar , Rabeet Singh , Manoj K. Harbola

Here we present a density matrix based KS inversion method formulated entirely within a Gaussian basis representation to optimize a KS potential matrix that reproduces a target electron density. Inverse Kohn-Sham (KS) density functional…

Chemical Physics · Physics 2026-03-24 Ziwei Chai , Sandra Luber

A recently developed density functional method, within Hohenberg-Kohn-Sham framework, is used for faithful description of atoms, molecules in Cartesian coordinate grid, by using an LCAO-MO ansatz. Classical Coulomb potential is obtained by…

Chemical Physics · Physics 2013-07-16 Amlan K. Roy

Density estimation is a fundamental problem that arises in many areas of astronomy, with applications ranging from selecting quasars using color distributions to characterizing stellar abundances. Astronomical observations are inevitably…

Instrumentation and Methods for Astrophysics · Physics 2024-12-05 Yi Kang , Joseph F. Hennawi , Jan-Torge Schindler , John Tamanas , Riccardo Nanni

Distribution estimation for noisy data via density deconvolution is a notoriously difficult problem for typical noise distributions like Gaussian. We develop a density deconvolution estimator based on quadratic programming (QP) that can…

Methodology · Statistics 2018-12-06 Ran Yang , Daniel Apley , Jeremy Staum , David Ruppert

We present a simple and accurate method to constrain galaxy bias based on the distribution of counts in cells. The most unique feature of our technique is that it is applicable to non-linear scales, where both dark matter statistics and the…

Astrophysics · Physics 2009-11-10 Istvan Szapudi , Jun Pan

3D gaussian splatting has advanced simultaneous localization and mapping (SLAM) technology by enabling real-time positioning and the construction of high-fidelity maps. However, the uncertainty in gaussian position and initialization…

Computer Vision and Pattern Recognition · Computer Science 2025-06-26 Yansong Xu , Junlin Li , Wei Zhang , Siyu Chen , Shengyong Zhang , Yuquan Leng , Weijia Zhou

This work introduces efficient and accurate spectral solvers for nonlocal equations on bounded domains. These spectral solvers exploit the fact that integration in the nonlocal formulation transforms into multiplication in Fourier space and…

Numerical Analysis · Mathematics 2025-12-01 Ilyas Mustapha , Bacim Alali , Nathan Albin

We present a spectrally accurate method for the rapid evaluation of free-space Stokes potentials, i.e. sums involving a large number of free space Green's functions. We consider sums involving stokeslets, stresslets and rotlets that appear…

Numerical Analysis · Mathematics 2018-01-18 Ludvig af Klinteberg , Davoud Saffar Shamshirgar , Anna-Karin Tornberg

A fundamental drawback of kernel-based statistical models is their limited scalability to large data sets, which requires resorting to approximations. In this work, we focus on the popular Gaussian kernel and on techniques to linearize…

Machine Learning · Statistics 2022-04-13 Jonas Wacker , Maurizio Filippone

Current tools for multivariate density estimation struggle when the density is concentrated near a nonlinear subspace or manifold. Most approaches require choice of a kernel, with the multivariate Gaussian by far the most commonly used.…

Methodology · Statistics 2021-10-07 Minerva Mukhopadhyay , Didong Li , David B Dunson

Kohn-Sham density functional theory calculations using conventional diagonalization based methods become increasingly expensive as temperature increases due to the need to compute increasing numbers of partially occupied states. We present…

Chemical Physics · Physics 2022-03-23 Qimen Xu , Xin Jing , Boqin Zhang , John E. Pask , Phanish Suryanarayana