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The chemical master equation (CME) is the exact mathematical formulation of chemical reactions occurring in a dilute and well-mixed volume. The reaction-diffusion master equation (RDME) is a stochastic description of reaction-diffusion…

Chemical Physics · Physics 2016-06-22 Stephen Smith , Ramon Grima

The study of Chemical Reaction Networks (CRN's) is a very active field. Earlier well-known results \cite{Feinberg:def_01:87, Anderson:product_dist:10} identify a topological quantity called deficiency, for any CRN, which, when exactly equal…

Statistical Mechanics · Physics 2017-10-11 Supriya Krishnamurthy , Eric Smith

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

The probability distribution describing the state of a Stochastic Reaction Network evolves according to the Chemical Master Equation (CME). It is common to estimated its solution using Monte Carlo methods such as the Stochastic Simulation…

Quantitative Methods · Quantitative Biology 2015-06-18 Benjamin Hepp , Ankit Gupta , Mustafa Khammash

The predictive ability of stochastic chemical reactions is currently limited by the lack of closed form solutions to the governing chemical master equation. To overcome this limitation, this paper proposes a computational method capable of…

Quantitative Methods · Quantitative Biology 2019-01-08 Yuta Sakurai , Yutaka Hori

Moment dynamics in stochastic chemical kinetics often involve an infinite chain of coupled equations, where lower-order moments depend on higher-order ones, making them analytically intractable. Moment bounding via semidefinite programming…

Optimization and Control · Mathematics 2026-04-07 Tomoki Sadatoshi , Antonis Papachristodoulou , Yutaka Hori

We consider a Markov process in continuous time with a finite number of discrete states. The time-dependent probabilities of being in any state of the Markov chain are governed by a set of ordinary differential equations, whose dimension…

Optimization and Control · Mathematics 2014-10-31 Fernando Lopez-Caamal , Tatiana T. Marquez-Lago

A higher-order accurate finite element method is proposed which uses automatically generated meshes based on implicit level-set data for the description of boundaries and interfaces in two and three dimensions. The method is an alternative…

Numerical Analysis · Computer Science 2017-06-06 T. P. Fries

[Context] The stochasticity of grain chemistry requires special care in modeling. Previously methods based on the modified rate equation, the master equation, the moment equation, and Monte Carlo simulations have been used. [Aims] We…

Astrophysics of Galaxies · Physics 2012-01-05 Fujun Du , Berengere Parise

The Cavity Master Equation (CME) is a closure scheme to the usual Master Equation representing the dynamics of discrete variables in continuous time. In this work we explore the CME for a ferromagnetic model in a random graph. We first…

Disordered Systems and Neural Networks · Physics 2020-08-26 E. Domínguez , D. Machado , R. Mulet

We study the closure problem for continuum balance equations that model mesoscale dynamics of large ODE systems. The underlying microscale model consists of classical Newton equations of particle dynamics. As a mesoscale model we use the…

Mathematical Physics · Physics 2010-10-26 Alexander Panchenko , Lyudmyla L. Barannyk , Robert P. Gilbert

Moment methods are classical approaches that approximate the mesoscopic radiative transfer equation by a system of macroscopic moment equations. An expansion in the angular variables transforms the original equation into a system of…

Mathematical Physics · Physics 2023-08-17 Martin Frank , Benjamin Seibold

The stochastic kinetics of BRN are described by a chemical master equation (CME) and the underlying laws of mass action. The CME must be usually solved numerically by generating enough traces of random reaction events. The resulting…

Molecular Networks · Quantitative Biology 2023-06-21 Pavel Loskot

Markov jump processes are widely used to model natural and engineered processes. In the context of biological or chemical applications one typically refers to the chemical master equation (CME), which models the evolution of the probability…

Optimization and Control · Mathematics 2017-07-05 Wei Zhang , Carsten Hartmann , Max von Kleist

Moment closure methods are widely used to analyze mathematical models. They are specifically geared toward derivation of approximations of moments of stochastic models, and of similar quantities in other models. The methods possess several…

Probability · Mathematics 2017-07-12 Ingemar Nåsell

The stochastic dynamics of biochemical reaction networks can be accurately described by discrete-state Markov processes where each chemical reaction corresponds to a state transition of the process. Due to the largeness problem of the state…

Numerical Analysis · Mathematics 2015-10-01 Alexander Andreychenko , Linar Mikeev , Verena Wolf

Particle breakage due to collisional interactions plays a vital role in the development of several phenomena in science and engineering. The nonlinear collisional breakage equations (NCBEs) are a significant set of equations in this…

Numerical Analysis · Mathematics 2026-04-14 Arushi Arushi , Naresh Kumar

In this work, we consider the problem of estimating summary statistics to characterise biochemical reaction networks of interest. Such networks are often described using the framework of the Chemical Master Equation (CME). For…

Quantitative Methods · Quantitative Biology 2018-11-27 Christopher Lester , Christian A. Yates , Ruth E. Baker

Moment-closure approximations are an important tool in the analysis of the dynamics on both static and adaptive networks. Here, we provide a broad survey over different approximation schemes by applying each of them to the adaptive voter…

Adaptation and Self-Organizing Systems · Physics 2012-11-05 G. Demirel , F. Vazquez , G. A. Böhme , T. Gross

In the stochastic formulation of chemical kinetics, the stationary moments of the population count of species can be described via a set of linear equations. However, except for some specific cases such as systems with linear reaction…

Quantitative Methods · Quantitative Biology 2017-01-02 Khem Raj Ghusinga , Cesar A. Vargas-Garcia , Andrew Lamperski , Abhyudai Singh