English
Related papers

Related papers: Accurate and efficient algorithm for Bader charge …

200 papers

Combining sum factorization, weighted quadrature, and row-based assembly enables efficient higher-order computations for tensor product splines. We aim to transfer these concepts to immersed boundary methods, which perform simulations on a…

Computational Engineering, Finance, and Science · Computer Science 2023-09-06 Benjamin Marussig , René Hiemstra , Dominik Schillinger

We study the complexity of approximating Wassertein barycenter of $m$ discrete measures, or histograms of size $n$ by contrasting two alternative approaches, both using entropic regularization. The first approach is based on the Iterative…

Optimization and Control · Mathematics 2020-02-21 Alexey Kroshnin , Darina Dvinskikh , Pavel Dvurechensky , Alexander Gasnikov , Nazarii Tupitsa , Cesar Uribe

There is great interest in numerical relativity simulations involving matter due to the likelihood that binary compact objects involving neutron stars will be detected by gravitational wave observatories in the coming years, as well as to…

General Relativity and Quantum Cosmology · Physics 2012-06-06 William E. East , Frans Pretorius , Branson C. Stephens

A upscaled lattice Boltzmann method (LBM) for flow simulations in heterogeneous porous media, at both pore and Darcy scales, is proposed in this paper. In the micro-scale simulations, we model flows using LBM with the modified Guo et al.…

Computational Physics · Physics 2013-12-03 Jun Li , Donald Brown

We introduce an algorithm for estimating the entropy of pairwise, probabilistic graph models by leveraging bridges between social communities and an accurate entropy estimator on sparse samples. We propose using a measure of investment from…

Computational Physics · Physics 2023-01-13 Edward D. Lee

This paper presents an improved immersed moving boundary model (IBM) for solving complex fluid-particle interactions in a coupled lattice Boltzmann method (LBM) and an adhesive discrete element method (DEM), using the "partially saturated…

Soft Condensed Matter · Physics 2020-10-21 Wenwei Liu , Chuan-Yu Wu

A simple application of classical density functional theory is derived and applied to a system of polymers grafted to a plane. The system is assumed to have symmetry in directions parallel to the grafting plane hence it being a…

Soft Condensed Matter · Physics 2016-12-02 Luke Kristopher Davis

We present a hybrid scheme based on classical density functional theory and machine learning for determining the equilibrium structure and thermodynamics of inhomogeneous fluids. The exact functional map from the density profile to the…

Soft Condensed Matter · Physics 2023-12-12 Florian Sammüller , Sophie Hermann , Daniel de las Heras , Matthias Schmidt

We propose novel smooth approximations to the classical rounding function, suitable for differentiable optimization and machine learning applications. Our constructions are based on two approaches: (1) localized sigmoid window functions…

Machine Learning · Computer Science 2025-04-29 Stanislav Semenov

Numerous infinite dimensional dynamical systems arising in different fields have been shown to exhibit a gradient flow structure in the Wasserstein space. We construct Two Point Flux Approximation Finite Volume schemes discretizing such…

Numerical Analysis · Mathematics 2020-06-29 Andrea Natale , Gabriele Todeschi

Numerical integration and emulation are fundamental topics across scientific fields. We propose novel adaptive quadrature schemes based on an active learning procedure. We consider an interpolative approach for building a surrogate…

Computation · Statistics 2021-01-20 F. Llorente , L. Martino , V. Elvira , D. Delgado , J. López-Santiago

In many high-impact applications, it is important to ensure the quality of output of a machine learning algorithm as well as its reliability in comparison with the complexity of the algorithm used. In this paper, we have initiated a…

Machine Learning · Computer Science 2023-03-03 Katarina Doctor , Tong Mao , Hrushikesh Mhaskar

We present a novel approximate inference method for diffusion processes, based on the Wasserstein gradient flow formulation of the diffusion. In this formulation, the time-dependent density of the diffusion is derived as the limit of…

Machine Learning · Statistics 2018-06-13 Charlie Frogner , Tomaso Poggio

In this paper we propose a new diffuse interface model for the numerical simulation of inviscid compressible flows around fixed and moving solid bodies of arbitrary shape. The solids are assumed to be moving rigid bodies, without any…

Numerical Analysis · Mathematics 2020-03-27 Friedemann Kemm , Elena Gaburro , Ferdinand Thein , Michael Dumbser

The watershed is a powerful tool for segmenting objects whose contours appear as crest lines on a gradient image. The watershed transform associates to a topographic surface a partition into catchment basins, defined as attraction zones of…

Computer Vision and Pattern Recognition · Computer Science 2012-04-11 Fernand Meyer

In this paper, C1-conforming element methods are analyzed for the stream function formulation of a single layer non-stationary quasi-geostrophic equation in the ocean circulation model. In its first part, some new regularity results are…

Numerical Analysis · Mathematics 2024-11-19 Dohyun Kim , Amiya K. Pani , Eun-Jae Park

We present an efficient dimension-by-dimension finite-volume method which solves the adiabatic magnetohydrodynamics equations at high discretization order, using the constrained-transport approach on Cartesian grids. Results are presented…

Numerical Analysis · Mathematics 2024-07-29 Jean-Mathieu Teissier , Wolf-Christian Müller

This paper presents a graph bundling algorithm that agglomerates edges taking into account both spatial proximity as well as user-defined criteria in order to reveal patterns that were not perceivable with previous bundling techniques. Each…

Graphics · Computer Science 2015-04-13 Daniel C. Moura

The direct-forcing immersed boundary method (DF-IBM) algorithm previously developed by the authors is extended by coupling the Navier-Stokes equations with the Newton-Euler equations for rigid body dynamics within the DF-IBM framework. This…

Fluid Dynamics · Physics 2026-04-28 E. Farah , A. Ouahsine , P. G. Verdin , B. Kaoui

We present an experiment that systematically probes the basins of attraction of two fixed points of a nonlinear nanomechanical resonator and maps them out with high resolution. We observe a separatrix which progressively alters shape for…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 I. Kozinsky , H. W. Ch. Postma , O. Kogan , A. Husain , M. L. Roukes