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Solvation is a notoriously difficult and nagging problem for the rigorous theoretical description of chemistry in the liquid phase. Successes and failures of various approaches ranging from implicit solvation modeling through dielectric…

Chemical Physics · Physics 2020-04-01 Gregor N. Simm , Paul L. Türtscher , Markus Reiher

A method for the multifidelity Monte Carlo (MFMC) estimation of statistical quantities is proposed which is applicable to computational budgets of any size. Based on a sequence of optimization problems each with a globally minimizing…

Numerical Analysis · Mathematics 2022-11-15 Anthony Gruber , Max Gunzburger , Lili Ju , Zhu Wang

The present work provides a critical assessment of numerical solutions of the space-fractional diffusion-advection equation, which is of high significance for applications in various natural sciences. In view of the fact that, in contrast…

Statistical Mechanics · Physics 2014-10-27 Robin Stern , Frederic Effenberger , Horst Fichtner , Tobias Schaefer

Stochastic collocation methods for approximating the solution of partial differential equations with random input data (e.g., coefficients and forcing terms) suffer from the curse of dimensionality whereby increases in the stochastic…

Numerical Analysis · Mathematics 2014-05-23 Aretha L. Teckentrup , Peter Jantsch , Clayton G. Webster , Max Gunzburger

In this work, we propose multicontinuum splitting schemes for the wave equation with a high-contrast coefficient, extending our previous research on multiscale flow problems. The proposed approach consists of two main parts: decomposing the…

Numerical Analysis · Mathematics 2025-06-03 Mohsen Alshahrani , Buzheng Shan

Existence and local-uniqueness theorems for weak solutions of a system consisting of the drift-diffusion-Poisson equations and the Poisson-Boltzmann equation, all with stochastic coefficients, are presented. For the numerical approximation…

Analysis of PDEs · Mathematics 2017-04-05 Leila Taghizadeh , Amirreza Khodadadian , Clemens Heitzinger

In this article, we introduce a new parameterized family of topological descriptors, taking the form of candidate decompositions, for multi-parameter persistence modules, and we identify a subfamily of these descriptors, that we call…

Algebraic Topology · Mathematics 2025-10-30 David Loiseaux , Mathieu Carrière , Andrew J. Blumberg

In the following article we consider approximate Bayesian computation (ABC) inference. We introduce a method for numerically approximating ABC posteriors using the multilevel Monte Carlo (MLMC). A sequential Monte Carlo version of the…

Methodology · Statistics 2017-02-14 Ajay Jasra , Seongil Jo , David Nott , Christine Shoemaker , Raul Tempone

This paper considers an optimization problem for a dynamical system whose evolution depends on a collection of binary decision variables. We develop scalable approximation algorithms with provable suboptimality bounds to provide…

Optimization and Control · Mathematics 2016-10-31 Insoon Yang , Samuel A. Burden , Ram Rajagopal , S. Shankar Sastry , Claire J. Tomlin

Homographies -- a mathematical formalism for relating image points across different camera viewpoints -- are at the foundations of geometric methods in computer vision and are used in geometric camera calibration, image registration, and…

Computer Vision and Pattern Recognition · Computer Science 2016-08-02 Graham D. Finlayson , Han Gong , Robert B. Fisher

A variational model for reconstruction of damaged color images is studied, in particular in the case where only finitely many colors are admissible for the reconstructed image. An existence result and regularity properties of minimizers are…

Optimization and Control · Mathematics 2018-03-30 Riccardo Cristoferi , Irene Fonseca

Adaptive Molecular Resolution approaches in Molecular Dynamics are becoming relevant tools for the analysis of molecular liquids characterized by the interplay of different physical scales. The essential difference among these methods is in…

Computational Physics · Physics 2016-11-23 Jinglong Zhu , Rupert Klein , Luigi Delle Site

Many authors have studied the numerical computation of conformal mappings (numerical conformal mapping), and there are nowadays several efficient numerical schemes. Among them, Amano's method offers a straightforward numerical procedure for…

Numerical Analysis · Mathematics 2019-11-25 Koya Sakakibara

Solutions to the stochastic wave equation on the unit sphere are approximated by spectral methods. Strong, weak, and almost sure convergence rates for the proposed numerical schemes are provided and shown to depend only on the smoothness of…

Numerical Analysis · Mathematics 2023-12-06 David Cohen , Annika Lang

Solutions of initial-boundary value problems for systems of conservation laws depend on the underlying viscous mechanism, namely different viscosity operators lead to different limit solutions. Standard numerical schemes for approximating…

Numerical Analysis · Mathematics 2011-09-08 Siddhartha Mishra , Laura V. Spinolo

A numerical scheme is described for including radiation in multi-dimensional general-relativistic conservative fluid dynamics codes. In this method, a covariant form of the M1 closure scheme is used to close the radiation moments, and the…

High Energy Astrophysical Phenomena · Physics 2013-01-16 Aleksander Sadowski , Ramesh Narayan , Alexander Tchekhovskoy , Yucong Zhu

We adapt the quasi-monotone method from [2] for composite convex minimization in the stochastic setting. For the proposed numerical scheme we derive the optimal convergence rate in terms of the last iterate, rather than on average as it is…

Optimization and Control · Mathematics 2021-07-09 Vyacheslav Kungurtsev , Vladimir Shikhman

We present a numerical method for approximating the solutions of degenerate parabolic equations with a formal gradient flow structure. The numerical method we propose preserves at the discrete level the formal gradient flow structure,…

Analysis of PDEs · Mathematics 2016-02-11 Clément Cancès , Cindy Guichard

This paper introduces a novel algorithmic solution for the approximation of a given multivariate function by a nomographic function that is composed of a one-dimensional continuous and monotone outer function and a sum of univariate…

Information Theory · Computer Science 2015-07-14 Steffen Limmer , Jafar Mohammadi , Slawomir Stanczak

In this paper we provide a rigorous mathematical foundation for continuous approximations of a class of systems with piece-wise continuous functions. By using techniques from the theory of differential inclusions, the underlying piece-wise…

Chaotic Dynamics · Physics 2014-08-20 Marius-F. Danca
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