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The well-known spatial integration schemes in molecular electronic structure theory, immune to cusps and point singularities of some kind at atomic positions, use a set of weighting functions to split the integrand into a sum of…

Chemical Physics · Physics 2022-09-14 Dimitri N. Laikov

Orthogonality regularization has been developed to prevent deep CNNs from training instability and feature redundancy. Among existing proposals, kernel orthogonality regularization enforces orthogonality by minimizing the residual between…

Computer Vision and Pattern Recognition · Computer Science 2023-06-19 Changhao Wu , Shenan Zhang , Fangsong Long , Ziliang Yin , Tuo Leng

Modeling statistical regularity plays an essential role in ill-posed image processing problems. Recently, deep learning based methods have been presented to implicitly learn statistical representation of pixel distributions in natural…

Computer Vision and Pattern Recognition · Computer Science 2018-08-22 Jing Zhang , Yang Cao , Yang Wang , Chenglin Wen , Chang Wen Chen

Small corrections in the argument of the latitude can be used to improve the accuracy of the SGP4 orbit propagator. These corrections have been obtained by applying the hybrid methodology for orbit propagation to SGP4, therefore yielding a…

In this work, we propose a novel methodology for robustly estimating particle size distributions from optical scattering measurements using constrained Gaussian process regression. The estimation of particle size distributions is commonly…

Machine Learning · Statistics 2025-07-08 Fahime Seyedheydari , Mahdi Nasiri , Marcin Mińkowski , Simo Särkkä

Support vector data description (SVDD) is a popular anomaly detection technique. The SVDD classifier partitions the whole data space into an inlier region, which consists of the region near the training data, and an outlier region, which…

The Gaussian process (GP) is a popular statistical technique for stochastic function approximation and uncertainty quantification from data. GPs have been adopted into the realm of machine learning in the last two decades because of their…

Machine Learning · Statistics 2024-10-02 Marcus M. Noack , Hengrui Luo , Mark D. Risser

3D Gaussian Splatting (3DGS) has emerged as a leading representation for real-time novel view synthesis and has been widely adopted in various downstream applications. The core strength of 3DGS lies in its efficient kernel-based scene…

Computer Vision and Pattern Recognition · Computer Science 2026-05-18 Xiangru Wu , Ke Fan , Yanwei Fu

Stein Variational Gradient Descent (SVGD) is an important alternative to the Langevin-type algorithms for sampling from probability distributions of the form $\pi(x) \propto \exp(-V(x))$. In the existing theory of Langevin-type algorithms…

Statistics Theory · Mathematics 2022-06-02 Lukang Sun , Avetik Karagulyan , Peter Richtarik

We study the convergence properties of our implementation of the 'moving punctures' approach at very high resolutions for an equal-mass, non-spinning, black-hole binary. We find convergence of the Hamiltonian constraint on the horizons and…

General Relativity and Quantum Cosmology · Physics 2012-12-03 Yosef Zlochower , Marcelo Ponce , Carlos O. Lousto

Can graded meshes yield more accurate numerical solution than uniform meshes? A time-dependent nonlocal diffusion problem with a weakly singular kernel is considered using collocation method. For its steady-state counterpart, under the…

Numerical Analysis · Mathematics 2024-02-01 Minghua Chen , Chao Min , Jiankang Shi , Jizeng Wang

As a mesh-free method, smoothed particle hydrodynamics (SPH) has been widely used for modeling and simulating fluid-structure interaction (FSI) problems. While the kernel gradient correction (KGC) method is commonly applied in structural…

Computational Engineering, Finance, and Science · Computer Science 2025-03-17 Bo Zhang , Jianfeng Zhu , Xiangyu Hu

In this work, a simple fourth-order accurate finite volume semi-discrete scheme is introduced to solve astrophysical magnetohydrodynamics (MHD) problems on Cartesian meshes. Hydrodynamic quantities like density, momentum and energy are…

Computational Physics · Physics 2018-03-23 Prabal Singh Verma , Jean-Mathieu Teissier , Oliver Henze , Wolf-Christian Müller

Kernel methods such as kernel ridge regression and Gaussian process regressions with Matern type kernels have been increasingly used, in particular, to fit potential energy surfaces (PES) and density functionals, and for materials…

Computational Physics · Physics 2024-06-26 Sergei Manzhos , Manabu Ihara

In this paper we present results from a series of hydrodynamical tests aimed at validating the performance of a smoothed particle hydrodynamics (SPH) formulation in which gradients are derived from an integral approach. We specifically…

Instrumentation and Methods for Astrophysics · Physics 2016-11-09 R. Valdarnini

In this article we present a refined convergence analysis for a second order accurate in time, fourth order finite difference numerical scheme for the 3-D Cahn-Hilliard equation, with an improved convergence constant. A modified backward…

Numerical Analysis · Mathematics 2024-04-09 Jing Guo , Cheng Wang , Yue Yan , Xingye Yue

We provide finite-particle convergence rates for the Stein Variational Gradient Descent (SVGD) algorithm in the Kernelized Stein Discrepancy ($\mathsf{KSD}$) and Wasserstein-2 metrics. Our key insight is that the time derivative of the…

Statistics Theory · Mathematics 2025-06-10 Sayan Banerjee , Krishnakumar Balasubramanian , Promit Ghosal

Adaptive filtering algorithms operating in reproducing kernel Hilbert spaces have demonstrated superiority over their linear counterpart for nonlinear system identification. Unfortunately, an undesirable characteristic of these methods is…

Machine Learning · Statistics 2013-06-25 Wei Gao , Jie Chen , Cédric Richard , Jianguo Huang

This paper develops an in-depth treatment concerning the problem of approximating the Gaussian smoothing and Gaussian derivative computations in scale-space theory for application on discrete data. With close connections to previous…

Computer Vision and Pattern Recognition · Computer Science 2024-06-25 Tony Lindeberg

Stochastic gradient descent (SGD) is commonly used for optimization in large-scale machine learning problems. Langford et al. (2009) introduce a sparse online learning method to induce sparsity via truncated gradient. With high-dimensional…

Machine Learning · Statistics 2017-05-10 Yuting Ma , Tian Zheng