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We present algorithms for computing strongly singular and near-singular surface integrals over curved triangular patches, based on singularity subtraction, the continuation approach, and transplanted Gauss quadrature. We demonstrate the…

Numerical Analysis · Mathematics 2024-06-24 Hadrien Montanelli , Francis Collino , Houssem Haddar

The paper studies several approaches to numerical integration over a domain defined implicitly by an indicator function such as the level set function. The integration methods are based on subdivision, moment--fitting, local…

Numerical Analysis · Mathematics 2016-01-26 Maxim Olshanskii , Danil Safin

In this paper, we introduce a new method for calculating fractional integrals and differentials. The method involves an equation that we have obtained from infinite applied integration by parts. The equation works for special class of…

General Mathematics · Mathematics 2023-09-08 Oleg Yaremko , Andrey Yachmenev

The Euler scheme is up to date the most important numerical method for ordinary differential inclusions, because the use of the available higher-order methods is prohibited by their enormous complexity after spatial discretization.…

Numerical Analysis · Mathematics 2013-08-19 Janosch Rieger

A method for computing singular or nearly singular integrals on closed surfaces was presented by J. T. Beale, W. Ying, and J. R. Wilson [Comm. Comput. Phys. 20 (2016), 733--753, arXiv:1508.00265] and applied to single and double layer…

Numerical Analysis · Mathematics 2021-08-24 J. Thomas Beale

Neural implicit functions have emerged as a powerful representation for surfaces in 3D. Such a function can encode a high quality surface with intricate details into the parameters of a deep neural network. However, optimizing for the…

Computer Vision and Pattern Recognition · Computer Science 2021-04-13 Wang Yifan , Shihao Wu , Cengiz Oztireli , Olga Sorkine-Hornung

A high-order quadrature algorithm is presented for computing integrals over curved surfaces and volumes whose geometry is implicitly defined by the level sets of (one or more) multivariate polynomials. The algorithm recasts the implicitly…

Numerical Analysis · Mathematics 2021-11-24 Robert I. Saye

We present a new algorithm for computing integral bases in algebraic function fields of one variable, or equivalently for constructing the normalization of a plane curve. Our basic strategy makes use of the concepts of localization and…

Commutative Algebra · Mathematics 2021-03-10 Janko Boehm , Wolfram Decker , Santiago Laplagne , Gerhard Pfister

In this paper, we present dSASA (differentiable SASA), an exact geometric method to calculate solvent accessible surface area (SASA) analytically along with atomic derivatives on GPUs. The atoms in a molecule are first assigned to…

Biomolecules · Quantitative Biology 2024-04-26 Xin Cao , Michelle H. Hummel , Yuzhang Wang , Carlos Simmerling , Evangelos A. Coutsias

We present a novel method to perform numerical integration over curved polyhedra enclosed by high-order parametric surfaces. Such a polyhedron is first decomposed into a set of triangular and/or rectangular pyramids, whose certain faces…

Numerical Analysis · Mathematics 2022-05-11 Pablo Antolin , Xiaodong Wei , Annalisa Buffa

This study presents a generalized multiscale multimesh finite element method ($\text{M}^2$-FEM) that addresses several long-standing challenges in the numerical simulation of integral structural theories, often used to model multiscale and…

Numerical Analysis · Mathematics 2022-10-27 Wei Ding , Sansit Patnaik , Fabio Semperlotti

Multilevel methods are among the most efficient numerical methods for solving large-scale linear systems that arise from discretized partial differential equations. The fundamental module of such methods is a two-level procedure, which…

Numerical Analysis · Mathematics 2021-11-09 Xuefeng Xu

This paper describes a mixed direct-iterative method for boundary integral formulations of dielectric solvation models. We give an example for which a direct solution at thermal accuracy is nontrivial and for which Gauss-Seidel iteration…

chem-ph · Physics 2008-02-03 S. A. Corcelli , J. D. Kress , L. R. Pratt , G. J. Tawa

Casting nonlocal problems in variational form and discretizing them with the finite element (FE) method facilitates the use of nonlocal vector calculus to prove well-posedeness, convergence, and stability of such schemes. Employing an FE…

Numerical Analysis · Mathematics 2022-05-25 Marco Pasetto , Zhaoxiang Shen , Marta D'Elia , Xiaochuan Tian , Nathaniel Trask , David Kamensky

Isogeometric Analysis (IGA) is a computational technique for the numerical approximation of partial differential equations (PDEs). This technique is based on the use of spline-type basis functions, that are able to hold a global smoothness…

Numerical Analysis · Mathematics 2020-09-04 Álvaro Pé de la Riva , Carmen Rodrigo , Francisco J. Gaspar

Subdivision surfaces are proven to be a powerful tool in geometric modeling and computer graphics, due to the great flexibility they offer in capturing irregular topologies. This paper discusses the robust and efficient implementation of an…

Numerical Analysis · Mathematics 2015-03-13 Bert Jüttler , Angelos Mantzaflaris , Ricardo Perl , Martin Rumpf

In the calculation of thermodynamic properties and three dimensional structures of macromolecules, such as proteins, it is important to have a good algorithm for computing solvent accessible surface area of macromolecules. Here we propose a…

Condensed Matter · Physics 2007-05-23 Shura Hayryan , Chin-Kun Hu , Jaroslav Skřivánek , Edik Hayryan , Imrich Pokorny

This paper introduces a novel method for the efficient and accurate computation of the volume of a domain whose boundary is given by an orientable hypersurface which is implicitly given as the iso-contour of a sufficiently smooth level-set…

Fluid Dynamics · Physics 2021-01-13 Johannes Kromer , Dieter Bothe

In this paper, we issue an error analysis for integration over discrete surfaces using the surface parametrization presented in [PS22] as well as prove why even-degree polynomials exhibit a higher convergence rate than odd-degree…

Numerical Analysis · Mathematics 2024-02-06 Gentian Zavalani , Elima Shehu , Michael Hecht

We introduce Exhaustive Symbolic Integration (ESI), a method that enumerates all symbolic functions up to a given complexity $k$ within a specified operator basis and determines which admit closed-form antiderivatives within the same class.…

Symbolic Computation · Computer Science 2026-05-07 Harry Desmond