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This is an expository note on large deviations, Hamilton-Jacobi-Bellman (HJB) equations, and the role of the Freidlin-Wentzell quasipotential in Chemical Reaction Networks (CRNs). The note was motivated by observations which identified…

Probability · Mathematics 2021-08-12 Michael Snarski

We prove a sample path Large Deviation Principle (LDP) for a class of jump processes whose rates are not uniformly Lipschitz continuous in phase space. Building on it we further establish the corresponding Wentzell-Freidlin (W-F) (infinite…

Probability · Mathematics 2017-10-24 Andrea Agazzi , Amir Dembo , Jean-Pierre Eckmann

We derive the Hessian geometric structure of nonequilibrium chemical reaction networks (CRN) on the flux and force spaces induced by the Legendre duality of convex dissipation functions and characterize their dynamics as a generalized flow.…

Chemical Physics · Physics 2022-06-03 Tetsuya J. Kobayashi , Dimitri Loutchko , Atsushi Kamimura , Yuki Sughiyama

Piecewise-Linear in Rates (PWLR) Lyapunov functions are introduced for a class of Chemical Reaction Networks (CRNs). In addition to their simple structure, these functions are robust with respect to arbitrary monotone reaction rates, of…

Optimization and Control · Mathematics 2016-09-09 M. Ali Al-Radhawi , David Angeli

The study of the dynamics of chemical reactions, and in particular phenomena such as oscillating reactions, has led to the recognition that many dynamical properties of a chemical reaction can be predicted from graph theoretical properties…

Dynamical Systems · Mathematics 2022-11-08 J. J. P. Veerman , Tessa Whalen-Wagner , Ewan Kummel

A reaction network is a chemical system involving multiple reactions and chemical species. Stochastic models of such networks treat the system as a continuous time Markov chain on the number of molecules of each species with reactions as…

Probability · Mathematics 2007-05-23 Karen Ball , Thomas G. Kurtz , Lea Popovic , Greg Rempala

The modern thermodynamics of discrete systems is based on graph theory, which provides both algebraic methods to define observables and a geometric intuition of their meaning and role. However, because chemical reactions are usually…

Statistical Mechanics · Physics 2023-04-04 Sara Dal Cengio , Vivien Lecomte , Matteo Polettini

In this paper, we propose a novel technique, referred to as the Lyapunov Function PDEs technique, to diagnose persistence of chemical reaction networks with mass-action kinetics. The technique allows that every network is attached to a…

Dynamical Systems · Mathematics 2019-02-01 Xiaoyu Zhang , Zhou Fang , Chuanhou Gao

Much of the theory on chemical-reaction networks (CRNs) has been developed in the ideal-solution limit, where interactions between the solutes are negligible. However, there is a large variety of phenomena in biological cells and…

Biological Physics · Physics 2022-12-09 Ander Movilla Miangolarra , Michele Castellana

We present a framework to transform the problem of finding a Lyapunov function of a Chemical Reaction Network (CRN) in concentration coordinates with arbitrary monotone kinetics into finding a common Lyapunov function for a linear parameter…

Optimization and Control · Mathematics 2017-10-31 M. Ali Al-Radhawi , David Angeli

The concept of the limiting step is extended to the asymptotology of multiscale reaction networks. Complete theory for linear networks with well separated reaction rate constants is developed. We present algorithms for explicit…

Chemical Physics · Physics 2010-06-15 A. N. Gorban , O. Radulescu , A. Y. Zinovyev

We consider the chemical reaction networks and study currents in these systems. Reviewing recent decomposition of rate functionals from large deviation theory for Markov processes, we adapt these results for reaction networks. In…

Mathematical Physics · Physics 2019-12-16 Johannes Zimmer , D. R. Michiel Renger

Recently, Hessian geometry - an extension of information geometry - has emerged as a framework to naturally connect the geometries appearing in the theory of chemical reaction networks (CRN) to their inherent thermodynamical and kinetic…

Statistical Mechanics · Physics 2023-08-10 Dimitri Loutchko , Yuki Sughiyama , Tetsuya J. Kobayashi

Chemical reaction networks (CRNs) are a standard formalism used in chemistry and biology to reason about the dynamics of molecular interaction networks. In their interpretation by ordinary differential equations, CRNs provide a…

Quantitative Methods · Quantitative Biology 2020-07-28 Mathieu Hemery , François Fages , Sylvain Soliman

Recently, A.N. Gorban presented a rich family of universal Lyapunov functions for any linear or non-linear reaction network with detailed or complex balance. Two main elements of the construction algorithm are partial equilibria of…

Chemical Physics · Physics 2020-04-30 Evgeny M Mirkes

In this paper, we develop a method to generate the Lyapunov function for stability analysis for chemical reaction networks. Based on the Chemical Master Equation, we derive the Lyapunov Function partial differential equations (PDEs), whose…

Dynamical Systems · Mathematics 2020-10-01 Zhou Fang , Chuanhou Gao

The use of mathematical models has helped to shed light on countless phenomena in chemistry and biology. Often, though, one finds that systems of interest in these fields are dauntingly complex. In this paper, we attempt to synthesize and…

Molecular Networks · Quantitative Biology 2007-09-04 Mark Lipson

Motivated by recent progress on the interplay between graph theory, dynamics, and systems theory, we revisit the analysis of chemical reaction networks described by mass action kinetics. For reaction networks possessing a thermodynamic…

Optimization and Control · Mathematics 2012-06-19 Arjan van der Schaft , Shodhan Rao , Bayu Jayawardhana

The evolution of chemical reaction networks is often analyzed through kinetic models and energy landscapes, but these approaches fail to capture the deeper structural constraints governing complexity growth. In chemical reaction networks,…

Molecular Networks · Quantitative Biology 2025-04-22 Anderson M. Rodriguez

It is useful to have complete lists of nonisomorphic chemical reaction networks (CRNs) of a given size, with or without various restrictions. One may, for example, be interested in exploring how often certain dynamical behaviours occur in…

Molecular Networks · Quantitative Biology 2017-06-01 Murad Banaji
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