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Brownian dynamics simulations are an increasingly popular tool for understanding spatially-distributed biochemical reaction systems. Recent improvements in our understanding of the cellular environment show that volume exclusion effects are…

Chemical Physics · Physics 2017-09-13 Stephen Smith , Ramon Grima

Projection-based model order reduction allows for the parsimonious representation of full order models (FOMs), typically obtained through the discretization of certain partial differential equations (PDEs) using conventional techniques…

Numerical Analysis · Mathematics 2022-11-11 Joshua Barnett , Irina Tezaur , Alejandro Mota

Granular impact -- the dynamic intrusion of solid objects into granular media -- is widespread across scientific and engineering applications including geotechnics. Existing approaches for simulating granular impact dynamics have relied on…

Soft Condensed Matter · Physics 2022-11-24 Yupeng Jiang , Yidong Zhao , Clarence E. Choi , Jinhyun Choo

Many additive manufacturing (AM) technologies rely on powder feedstock, which is fused to form the final part either by melting or by chemical binding with subsequent sintering. In both cases, process stability and resulting part quality…

Computational Engineering, Finance, and Science · Computer Science 2022-01-25 Sebastian L. Fuchs , Patrick M. Praegla , Christian J. Cyron , Wolfgang A. Wall , Christoph Meier

The ability of widely distributed radar systems to capture diverse spatial scattering properties substantially improves radar imaging performance. Traditional imaging methods leverage regularized optimization techniques to reconstruct…

Signal Processing · Electrical Eng. & Systems 2023-07-18 Ahmed Murtada , Bhavani Shankar Mysore Rama Rao , Udo Schroeder

Stochastic chemical systems with diffusion are modeled with a reaction-diffusion master equation. On a macroscopic level, the governing equation is a reaction-diffusion equation for the averages of the chemical species. On a mesoscopic…

Numerical Analysis · Mathematics 2009-03-06 Stefan Engblom , Lars Ferm , Andreas Hellander , Per Lötstedt

In this article we formulate new models for coupled systems of bulk-surface reaction-diffusion equations on stationary volumes. The bulk reaction-diffusion equations are coupled to the surface reaction-diffusion equations through linear…

Analysis of PDEs · Mathematics 2015-06-23 Anotida Madzvamuse , Andy H. W. Chung , Chandrasekhar Venkataraman

We propose a methodology that combines generative latent diffusion models with physics-informed machine learning to generate solutions of parametric partial differential equations (PDEs) conditioned on partial observations, which includes,…

Machine Learning · Computer Science 2026-02-11 Davide Gallon , Philippe von Wurstemberger , Patrick Cheridito , Arnulf Jentzen

In this talk I discuss the general question of the portability of Molecular Dynamics codes for diffusive systems on parallel computers of the APE family. The intrinsic single precision arithmetics of the today available APE platforms does…

Biological Physics · Physics 2009-10-30 G. La Penna , S. Letardi , V. Minicozzi , S. Morante , G. C. Rossi , G. Salina

Simulating physical systems is essential in engineering, but analytical solutions are limited to straightforward problems. Consequently, numerical methods like the Finite Element Method (FEM) are widely used. However, the FEM becomes…

Machine Learning · Computer Science 2026-01-30 Niklas Freymuth , Philipp Dahlinger , Tobias Würth , Simon Reisch , Luise Kärger , Gerhard Neumann

In this paper, a nonsmooth semilinear parabolic partial differential equation (PDE) is considered. For a reduced basis (RB) approach, a space-time formulation is used to develop a certified a-posteriori error estimator. This error estimator…

Numerical Analysis · Mathematics 2022-12-29 Marco Bernreuther , Stefan Volkwein

Discharge of hazardous substances into the marine environment poses a substantial risk to both public health and the ecosystem. In such incidents, it is imperative to accurately estimate the release strength of the source and reconstruct…

Signal Processing · Electrical Eng. & Systems 2024-10-29 Yang Liu , Christopher M. Harvey , Frederick E. Hamlyn , Cunjia Liu

Generalized Additive Models (GAMs) are widely used explainable-by-design models in various applications. GAMs assume that the output can be represented as a sum of univariate functions, referred to as components. However, this assumption…

Machine Learning · Computer Science 2023-09-22 Vasilis Gkolemis , Anargiros Tzerefos , Theodore Dalamagas , Eirini Ntoutsi , Christos Diou

This paper proposes a novel multiple intelligent reflecting surfaces (IRSs) collaborative hybrid localization system, which involves deploying multiple IRSs near the target area and achieving target localization through joint time delay and…

Signal Processing · Electrical Eng. & Systems 2025-11-06 Ziheng Zhang , Wen Chen , Qingqing Wu , Haoran Qin , Zhendong Li , Qiong Wu

Models including two $L^1$ -norm terms have been widely used in image restoration. In this paper we first propose the alternating direction method of multipliers (ADMM) to solve this class of models. Based on ADMM, we then propose the…

Computer Vision and Pattern Recognition · Computer Science 2015-03-13 Zhi-Feng Pang , Li-Lian Wang , Yu-Fei Yang

Combined-resolution simulations are an effective way to study molecular properties across a range of length- and time-scales. These simulations can benefit from adaptive boundaries that allow the high-resolution region to adapt (change size…

Computational Physics · Physics 2018-05-09 Jason A. Wagoner , Vijay S. Pande

In this manuscript, we combine non-intrusive reduced order models (ROMs) with space-dependent aggregation techniques to build a mixed-ROM. The prediction of the mixed formulation is given by a convex linear combination of the predictions of…

Numerical Analysis · Mathematics 2024-03-12 Anna Ivagnes , Niccolò Tonicello , Paola Cinnella , Gianluigi Rozza

Accurate quantum mechanical treatment of molecular reactions remains a longstanding challenge, especially for reactions involving deep potential wells and long-lived intermediate complexes. Here, we introduce an interaction region…

Chemical Physics · Physics 2026-01-13 Yuegu Fang , Jiayu Huang , Dong H. Zhang

Piecewise diffusion Markov processes (PDifMPs) form a versatile class of stochastic hybrid systems that combine continuous diffusion processes with discrete event-driven dynamics, enabling flexible modelling of complex real-world hybrid…

Methodology · Statistics 2025-11-18 Sascha Desmettre , Agnes Mallinger , Amira Meddah , Irene Tubikanec

The dynamics of ecological as well as chemical systems may depend on heterogeneous configurations. Heterogeneity in reaction-diffusion systems often increase modelling and simulating difficulties when non-linear effects are present. One…

Physics and Society · Physics 2019-08-27 Orlando Silva
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