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Physics-guided sampling with diffusion model priors has shown promise for solving partial differential equation (PDE) governed problems, but applications to chemically meaningful reaction-transport systems remain limited. We apply…

Chemical Physics · Physics 2026-03-06 Andrew Millard , Henrik Pedersen

Riemannian diffusion models draw inspiration from standard Euclidean space diffusion models to learn distributions on general manifolds. Unfortunately, the additional geometric complexity renders the diffusion transition term inexpressible…

Machine Learning · Computer Science 2023-11-01 Aaron Lou , Minkai Xu , Stefano Ermon

We present the analytical singular value decomposition of the stoichiometry matrix for a spatially discrete reaction-diffusion system on a one dimensional domain. The domain has two subregions which share a single common boundary. Each of…

Quantitative Methods · Quantitative Biology 2023-11-27 Jacqueline M. Wentz , David M. Bortz

This article addresses reaction networks in which spatial and stochastic effects are of crucial importance. For such systems, particle-based models allow us to describe all microscopic details with high accuracy. However, they suffer from…

Subsurface flows are commonly modeled by advection-diffusion equations. Insufficient measurements or uncertain material procurement may be accounted for by random coefficients. To represent, for example, transitions in heterogeneous media,…

Numerical Analysis · Mathematics 2021-01-25 Andrea Barth , Andreas Stein

Stochastic reaction-diffusion processes may be presented in terms of integrable quantum chains and can be used to describe various biological and chemical systems. Exploiting the integrability of the models one finds in some cases good…

Condensed Matter · Physics 2007-05-23 Gunter M. Schütz

We undertake a detailed analysis of a reaction-advection-diffusion (RAD) equation from the viewpoint of pulse-response studies, with particular attention to effects due to the advection velocity. Our boundary-value problem is a mathematical…

Analysis of PDEs · Mathematics 2026-03-05 Jiasong Zhu , Renato Feres , Donsub Rim , Gregory Yablonsky

We present simple explicit estimates for the apparent reaction rate constant for three molecular reactions, which are important in catalysis. For small concentrations and $d> 1$, the apparent reaction rate constant depends only on the…

Condensed Matter · Physics 2009-10-28 S. F. Burlatsky , M. Moreau

The stochastic description of chemical reaction networks with the kinetic chemical master equation (CME) is important for studying biological cells, but it suffers from the curse of dimensionality: The amount of data to be stored grows…

Numerical Analysis · Mathematics 2024-08-02 Lukas Einkemmer , Julian Mangott , Martina Prugger

In this paper, an algorithm is presented to calculate the transition rates between adjacent mesoscopic subvolumes in the presence of flow and diffusion. These rates can be integrated in stochastic simulations of reaction-diffusion systems…

Chemical Physics · Physics 2020-04-24 Adam Noel , Dimitrios Makrakis

In previous papers of this series, we presented a formalism able to account for both statistical equilibrium of a multilevel atom and coherent and incoherent scatterings (partial redistribution). aims: This paper provides theoretical…

Solar and Stellar Astrophysics · Physics 2017-11-15 V. Bommier

This paper proposes a novel reaction-diffusion system approximation tailored for singular diffusion problems, typified by the fast diffusion equation. While such approximation methods have been successfully applied to degenerate parabolic…

Analysis of PDEs · Mathematics 2026-04-01 Hideki Murakawa , Florian Salin

A fully discrete finite difference scheme for stochastic reaction-diffusion equations driven by a $1+1$-dimensional white noise is studied. The optimal strong rate of convergence is proved without posing any regularity assumption on the…

Probability · Mathematics 2024-09-25 Oleg Butkovsky , Konstantinos Dareiotis , Máté Gerencsér

In this paper we present a high-order kernel method for numerically solving diffusion and reaction-diffusion partial differential equations (PDEs) on smooth, closed surfaces embedded in $\mathbb{R}^d$. For two-dimensional surfaces embedded…

Numerical Analysis · Mathematics 2012-06-04 Edward J. Fuselier , Grady B. Wright

A growing body of literature has been leveraging techniques of machine learning (ML) to build novel approaches to approximating the solutions to partial differential equations. Noticeably absent from the literature is a systematic…

Numerical Analysis · Mathematics 2026-05-19 Jonah A. Reeger

This work presents a physics-conditioned latent diffusion model tailored for dynamical downscaling of atmospheric data, with a focus on reconstructing high-resolution 2-m temperature fields. Building upon a pre-existing diffusion…

Machine Learning · Computer Science 2025-10-29 Paul Rosu , Muchang Bahng , Erick Jiang , Rico Zhu , Vahid Tarokh

We consider linear reaction--diffusion problems with mixed Diriclet-Neumann-Robin conditions. The diffusion matrix, reaction coefficient, and the coefficient in the Robin boundary condition are defined with an uncertainty which allow…

Numerical Analysis · Mathematics 2014-07-29 O. Mali , S. Repin

The simulation of stochastic reaction-diffusion systems using fine-grained representations can become computationally prohibitive when particle numbers become large. If particle numbers are sufficiently high then it may be possible to…

Quantitative Methods · Quantitative Biology 2020-10-02 Christian A. Yates , Adam George , Armand Jordana , Cameron A. Smith , Andrew B. Duncan , Konstantinos C. Zygalakis

The reversible reactions like A+B <-> C in the many-component diffusive system affect the diffusive properties of the constituents. The effective conjugation of irreversible processes of different dimensionality takes place due to the…

Other Condensed Matter · Physics 2007-05-23 Serge Shpyrko , Vladimir M. Sysoev

We investigate Turing instability and pattern formation in two-dimensional domains for two reaction-diffusion models, obtained as diffusive limits of kinetic equations for mixtures of monatomic and polyatomic gases. The first model is of…

Mathematical Physics · Physics 2026-02-23 Stefano Boccelli , Giorgio Martalò , Romina Travaglini
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