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Since its foundations, more than one hundred years ago, the field of structural biology has strived to understand and analyze the properties of molecules and their interactions by studying the structure that they take in 3D space. However,…

Biomolecules · Quantitative Biology 2023-02-27 Gabriele Corso

A linear semi-implicit hybridizable discontinuous Galerkin (HDG) scheme is proposed to solve the diffusive Peterlin viscoelastic model, allowing the diffusion coefficient $\ep$ of the conformation tensor to be arbitrarily small. We…

Numerical Analysis · Mathematics 2025-03-12 Sibang Gou , Jingyan Hu , Qi Wang , Feifei Jing , Guanyu Zhou

This paper presents a new resolution strategy for multi-scale streamer discharge simulations based on a second order time adaptive integration and space adaptive multiresolution. A classical fluid model is used to describe plasma…

Numerical Analysis · Mathematics 2012-04-10 Max Duarte , Zdenek Bonaventura , Marc Massot , Anne Bourdon , Stéphane Descombes , Thierry Dumont

Diffusion models represent a class of generative models that produce data by denoising a sample corrupted by white noise. Despite the success of diffusion models in computer vision, audio synthesis, and point cloud generation, so far they…

Statistical Mechanics · Physics 2025-01-17 Kanta Masuki , Yuto Ashida

In this paper, we study an optimal control problem for a coupled non-linear system of reaction-diffusion equations with degenerate diffusion, consisting of two partial differential equations representing the density of cells and the…

Optimization and Control · Mathematics 2024-07-11 Georges Chamoun , Mazen Saad , Toni Sayah , Sarah Serhal

Real-world data generation often involves complex inter-dependencies among instances, violating the IID-data hypothesis of standard learning paradigms and posing a challenge for uncovering the geometric structures for learning desired…

Machine Learning · Computer Science 2023-05-30 Qitian Wu , Chenxiao Yang , Wentao Zhao , Yixuan He , David Wipf , Junchi Yan

We introduce an immersed high-order discontinuous Galerkin method for solving the compressible Navier-Stokes equations on non-boundary-fitted meshes. The flow equations are discretised with a mixed discontinuous Galerkin formulation and are…

Numerical Analysis · Mathematics 2020-01-08 Hong Xiao , Eky Febrianto , Qiaoling Zhang , Fehmi Cirak

Over the recent past data-driven algorithms for solving stochastic optimal control problems in face of model uncertainty have become an increasingly active area of research. However, for singular controls and underlying diffusion dynamics…

Optimization and Control · Mathematics 2024-10-15 Sören Christensen , Asbjørn Holk Thomsen , Lukas Trottner

We propose a framework to perform Bayesian inference using conditional score-based diffusion models to solve a class of inverse problems in mechanics involving the inference of a specimen's spatially varying material properties from noisy…

We consider combustion problems in the presence of complex chemistry and nonlinear diffusion laws leading to fully nonlinear multispecies reaction-diffusion equations. We establish results of existence of solution and maximum principle,…

Analysis of PDEs · Mathematics 2013-10-11 Martine Marion , Roger Temam

Standard diffusion models are flexible estimators of complex distributions, but they do not encode causal structures and therefore do not by themselves support causal analysis. We propose a causality-encoded diffusion framework that…

Methodology · Statistics 2026-04-24 Li Chen , Xiaotong Shen , Wei Pan

We consider constrained bilinear optimal control of second-order linear evolution partial differential equations (PDEs) with a reaction term on the half line, where control arises as a time-dependent reaction coefficient and constraints are…

Computational Physics · Physics 2025-11-20 Zhexian Li , Felipe de Barros , Ketan Savla

The reconstruction of unsteady flow fields from limited measurements is a challenging and crucial task for many engineering applications. Machine learning models are gaining popularity for solving this problem due to their ability to learn…

Fluid Dynamics · Physics 2026-01-09 Marc Amorós-Trepat , Luis Medrano-Navarro , Qiang Liu , Luca Guastoni , Nils Thuerey

For the case of approximation of convection--diffusion equations using piecewise affine continuous finite elements a new edge-based nonlinear diffusion operator is proposed that makes the scheme satisfy a discrete maximum principle. The…

Numerical Analysis · Mathematics 2015-09-30 Gabriel R. Barrenechea , Erik Burman , Fotini Karakatsani

This paper is devoted to the numerical analysis of a control constrained distributed optimal control problem subject to a time fractional diffusion equation with non-smooth initial data. The solutions of state and co-state are decomposed…

Numerical Analysis · Mathematics 2020-10-06 Tao Wang , Binjie Li , Xiaoping Xie

This article presents a multi-physics methodology for the numerical simulation of physical systems that involve the non-linear interaction of multi-phase reactive fluids and elastoplastic solids, inducing high strain-rates and high…

Computational Physics · Physics 2021-06-04 Tim Wallis , Philip T. Barton , Nikolaos Nikiforakis

In this paper we present a non-local numerical scheme based on the Local Discontinuous Galerkin method for a non-local diffusive partial differential equation with application to traffic flow. In this model, the velocity is determined by…

Numerical Analysis · Mathematics 2023-11-14 D. Do , H. Nick Zinat Matin , M. L. Delle Monache

We extend the applicability of the popular interior-penalty discontinuous Galerkin (dG) method discretizing advection-diffusion-reaction problems to meshes comprising extremely general, essentially arbitrarily-shaped element shapes. In…

Numerical Analysis · Mathematics 2021-05-11 Andrea Cangiani , Zhaonan Dong , Emmanuil H. Georgoulis

Different relaxation approximations to partial differential equations, including conservation laws, Hamilton-Jacobi equations, convection-diffusion problems, gas dynamics problems, have been recently proposed. The present paper focuses onto…

Numerical Analysis · Mathematics 2007-05-23 Fausto Cavalli , Matteo Semplice

The large dimensionality of environments is the limiting factor in applying optimal control to open quantum systems beyond Markovian approximations. Multiple methods exist to simulate non-Markovian open systems which effectively reduce the…

Quantum Physics · Physics 2024-10-08 Carlos Ortega-Taberner , Eoin O'Neill , Eoin Butler , Gerald E. Fux , P. R. Eastham