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Continuous time Markov chains are commonly used as models for the stochastic behavior of chemical reaction networks. More precisely, these Stochastic Chemical Reaction Networks (SCRNs) are frequently used to gain a mechanistic understanding…

Probability · Mathematics 2025-11-18 Simone Bruno , Yi Fu , Felipe A. Campos , Domitilla Del Vecchio , Ruth J. Williams

We study chemical reaction networks with discrete state spaces, such as the standard continuous time Markov chain model, and present sufficient conditions on the structure of the network that guarantee the system exhibits an extinction…

Dynamical Systems · Mathematics 2017-01-11 Matthew D. Johnston , David F. Anderson , Gheorghe Craciun , Robert Brijder

The Gene Regulatory Network (GRN) of biological cells governs a number of key functionalities that enables them to adapt and survive through different environmental conditions. Close observation of the GRN shows that the structure and…

Neural and Evolutionary Computing · Computer Science 2023-10-10 Adrian Ratwatte , Samitha Somathilaka , Sasitharan Balasubramaniam , Assaf A. Gilad

Bistability plays a central role in the gene regulatory networks (GRNs) controlling many essential biological functions, including cellular differentiation and cell cycle control. However, establishing the network topologies that can…

Molecular Networks · Quantitative Biology 2015-03-19 Dan Siegal-Gaskins , Maria Katherine Mejia-Guerra , Gregory D. Smith , Erich Grotewold

The long time behavior of a model for a first order, weakly reversible chemical reaction network is considered, where the movement of the reacting species is described by kinetic transport. The reactions are triggered by collisions with a…

Analysis of PDEs · Mathematics 2020-02-18 Gianluca Favre , Christian Schmeiser

We establish a Hessian geometric structure in chemical thermodynamics which describes chemical reaction networks (CRNs) with equilibrium states. In our setup, the ideal gas assumption and mass action kinetics are not required. The existence…

Statistical Mechanics · Physics 2022-08-30 Yuki Sughiyama , Dimitri Loutchko , Atsushi Kamimura , Tetsuya J. Kobayashi

The spatially distributed reaction networks are indispensable for the understanding of many important phenomena concerning the development of organisms, coordinated cell behavior, and pattern formation. The purpose of this brief discussion…

Optimization and Control · Mathematics 2013-05-15 Marko Seslija , Jacquelien M. A. Scherpen , Arjan van der Schaft

Estimating rate coefficients from complex chemical reactions is essential for advancing detailed chemistry. However, the stiffness inherent in real-world atmospheric chemistry systems poses severe challenges, leading to training instability…

Machine Learning · Computer Science 2025-09-01 Wenqing Peng , Zhi-Song Liu , Michael Boy

Complex systems can be advantageously modeled by formal reaction systems (RS), a.k.a. chemical reaction networks in chemistry. Reaction-based models can indeed be interpreted in a hierarchy of semantics, depending on the question at hand,…

Molecular Networks · Quantitative Biology 2024-06-27 Hugo Buscemi , François Fages

A stochastic model for a chemical reaction network is embedded in a one-parameter family of models with species numbers and rate constants scaled by powers of the parameter. A systematic approach is developed for determining appropriate…

Probability · Mathematics 2010-11-09 Hye-Won Kang , Thomas G. Kurtz

This paper develops the concept of decomposition for chemical reaction networks, based on which a network decomposition technique is proposed to capture the stability of large-scale networks characterized by a high number of species, high…

Dynamical Systems · Mathematics 2021-02-23 Yafei Lu , Chuanhou Gao , Denis Dochain

Artificial neural networks (NNs) can be implemented using chemical reaction networks (CRNs), where the concentrations of species act as inputs and outputs. In such biochemical computing, noise-robust computing is crucial due to the…

Molecular Networks · Quantitative Biology 2024-10-17 Sunghwa Kang , Jinsu Kim

Exact results for product-form stationary distributions of Markov chains are of interest in different fields. In stochastic reaction networks (CRNs), stationary distributions are mostly known in special cases where they are of product-form.…

Probability · Mathematics 2021-12-07 Beatriz Pascual-Escudero , Linard Hoessly

We extend the traditional framework of steady state energy transduction -- typically characterized by a single input and output -- to multi-resource transduction in open chemical reaction networks (CRNs). Transduction occurs when…

Molecular Networks · Quantitative Biology 2025-07-24 Massimo Bilancioni , Massimiliano Esposito

Chemical reaction networks with generalized mass-action kinetics lead to power-law dynamical systems. As a simple example, we consider the Lotka reactions and the resulting planar ODE. We characterize the parameters (positive coefficients…

Dynamical Systems · Mathematics 2022-09-14 Balázs Boros , Josef Hofbauer , Georg Regensburger , Stefan Müller

The automated inference of physically interpretable (bio)chemical reaction network models from measured experimental data is a challenging problem whose solution has significant commercial and academic ramifications. It is demonstrated,…

Neural and Evolutionary Computing · Computer Science 2014-12-22 Dominic P. Searson , Mark J. Willis , Allen Wright

In this paper we show that the dynamics of a class of kinetic compartmental models with bounded capacities, monotone reaction rates and a strongly connected interconnection structure is persistent. The result is based on the chemical…

Dynamical Systems · Mathematics 2022-01-25 G. Szederkenyi , B. Acs , Gy. Liptak , M. A. Vaghy

We generalize thermodynamic uncertainty relation (TUR) and thermodynamic speed limit (TSL) for deterministic chemical reaction networks (CRNs). The scaled diffusion coefficient derived by considering the connection between macroscopic CRNs…

Statistical Mechanics · Physics 2021-10-13 Kohei Yoshimura , Sosuke Ito

Chemical kinetics mechanisms are essential for understanding, analyzing, and simulating complex combustion phenomena. In this study, a Neural Ordinary Differential Equation (Neural ODE) framework is employed to optimize kinetics parameters…

Chemical Physics · Physics 2022-09-07 Xingyu Su , Weiqi Ji , Jian An , Zhuyin Ren , Sili Deng , Chung K. Law

This paper presents novel decomposition classes of chemical reaction networks (CRNs) derived from S-system kinetics. Based on the network decomposition theory initiated by Feinberg in 1987, we introduce the concept of incidence independent…

Dynamical Systems · Mathematics 2020-03-04 Honeylou F. Farinas , Eduardo R. Mendoza , Angelyn R. Lao
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