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Generative modeling within constrained sets is essential for scientific and engineering applications involving physical, geometric, or safety requirements (e.g., molecular generation, robotics). We present a unified framework for…

Machine Learning · Computer Science 2026-04-21 Kijung Jeon , Michael Muehlebach , Molei Tao

The convergence to equilibrium of mass action reaction-diffusion systems arising from networks of chemical reactions is studied. The considered reaction networks are assumed to satisfy the detailed balance condition and have no boundary…

Analysis of PDEs · Mathematics 2017-02-13 Klemens Fellner , Bao Quoc Tang

Consider a particle diffusing in a confined volume which is divided into two equal regions. In one region the diffusion coefficient is twice the value of the diffusion coefficient in the other region. Will the particle spend equal…

Dynamical Systems · Mathematics 2015-06-04 P. F. Tupper , Xin Yang

We study an autocatalytic reaction-diffusion scheme, the Gray-Scott model, when the mixing processes do not homogenize the reactants. Starting from the master equation, we derive the resulting coupled, nonlinear, stochastic partial…

Other Condensed Matter · Physics 2007-05-23 M. -P. Zorzano , D. Hochberg , F. Moran

Diffusion mediated reaction models are particularly ubiquitous in the description of physical, chemical or biological processes. The random walk schema is a useful tool for formulating these models. Recently, evanescent random walk models…

Data Analysis, Statistics and Probability · Physics 2015-10-08 Miguel A. Ré , Natalia C. Bustos

We study the evolution of a localized perturbation in a chemical system with multiple homogeneous steady states, in the presence of stirring by a fluid flow. Two distinct regimes are found as the rate of stirring is varied relative to the…

Chaotic Dynamics · Physics 2009-11-07 Zoltan Neufeld , Peter H. Haynes , Tamas Tel

Modelling a complex system is almost invariably a challenging task. The incorporation of experimental observations can be used to improve the quality of a model, and thus to obtain better predictions about the behavior of the corresponding…

Computational Physics · Physics 2015-11-24 Massimiliano Bonomi , Carlo Camilloni , Andrea Cavalli , Michele Vendruscolo

Many reaction-diffusion models produce travelling wave solutions that can be interpreted as waves of invasion in biological scenarios such as wound healing or tumour growth. These partial differential equation models have since been adapted…

Cell Behavior · Quantitative Biology 2023-07-03 Rebecca M. Crossley , Philip K. Maini , Tommaso Lorenzi , Ruth E. Baker

Developments in dynamical systems theory provides new support for the macroscale modelling of pdes and other microscale systems such as Lattice Boltzmann, Monte Carlo or Molecular Dynamics simulators. By systematically resolving subgrid…

Numerical Analysis · Mathematics 2012-01-18 A. J. Roberts , Tony MacKenzie , J. E. Bunder

Aggregation-diffusion equations are foundational tools for modelling biological aggregations. Their principal use is to link the collective movement mechanisms of organisms to their emergent space use patterns in a concrete mathematical…

Populations and Evolution · Quantitative Biology 2025-04-16 Jonathan R. Potts

A mesoscopic multi-particle collision model for fluid dynamics is generalized to incorporate the chemical reactions among species that may diffuse at different rates. This generalization provides a means to simulate reaction-diffusion…

Chemical Physics · Physics 2016-09-08 K. Tucci , R. Kapral

In recent years considerable portion of the computer science community has focused its attention on understanding living cell biochemistry and efforts to understand such complication reaction environment have spread over wide front, ranging…

Computational Engineering, Finance, and Science · Computer Science 2009-11-13 Zoran Konkoli

Spatial reaction-diffusion models have been employed to describe many emergent phenomena in biological systems. The modelling technique most commonly adopted in the literature implements systems of partial differential equations (PDEs),…

Quantitative Methods · Quantitative Biology 2015-10-05 Christian A. Yates , Mark B. Flegg

We analytically derive mean-field models for all-to-all coupled networks of heterogeneous, adapting, two-dimensional integrate and fire neurons. The class of models we consider includes the Izhikevich, adaptive exponential, and quartic…

Neurons and Cognition · Quantitative Biology 2013-09-20 Wilten Nicola , Sue Ann Campbell

Multispecies reaction-diffusion systems, for which the time evolution equation of correlation functions become a closed set, are considered. A formal solution for the average densities is found. Some special interactions and the exact time…

Condensed Matter · Physics 2012-01-27 A. Aghamohammadi , A. H. Fatollahi , M. Khorrami , A. Shariati

We develop an efficient method to calculate probabilities of large deviations from the typical behavior (rare events) in reaction--diffusion systems. The method is based on a semiclassical treatment of underlying "quantum" Hamiltonian,…

Statistical Mechanics · Physics 2009-11-10 Vlad Elgart , Alex Kamenev

A one-dimensional model on a line of the length L is investigated, which involves particle diffusion as well as single particle annihilation. There are also creation and annihilation at the boundaries. The static and dynamical behaviors of…

Mathematical Physics · Physics 2014-03-17 Mohammad Khorrami , Amir Aghamohammadi

A molecule traveling in a realistic propagation environment can experience stochastic interactions with other molecules and the environment boundary. The statistical behavior of some isolated phenomena, such as dilute unbounded molecular…

Chemical Physics · Physics 2015-05-20 Adam Noel , Karen C. Cheung , Robert Schober

The paper describes and compares three approaches to modeling an epidemic spread. The first approach is a well-known system of SIR ordinary differential equations. The second is a mean-field model, in which an isolation strategy for each…

Populations and Evolution · Quantitative Biology 2024-11-06 Viktoriya Petrakova , Olga Krivorotko

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
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