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Across many disciplines, chemical reaction networks (CRNs) are an established population model defined as a system of coupled nonlinear ordinary differential equations. In many applications, for example, in systems biology and epidemiology,…

Systems and Control · Electrical Eng. & Systems 2023-01-23 Kim G. Larsen , Daniele Toller , Mirco Tribastone , Max Tschaikowski , Andrea Vandin

Autocatalysis is an important feature of metabolic networks, contributing crucially to the self-maintenance of organisms. Autocatalytic subsystems of chemical reaction networks (CRNs) are characterized in terms of algebraic conditions on…

Molecular Networks · Quantitative Biology 2026-05-06 Richard Golnik , Thomas Gatter , Peter F. Stadler , Nicola Vassena

We introduce a unifying and generalizing framework for complex and detailed balanced steady states in chemical reaction network theory. To this end, we generalize the graph commonly used to represent a reaction network. Specifically, we…

Dynamical Systems · Mathematics 2017-11-21 Elisenda Feliu , Daniele Cappelletti , Carsten Wiuf

To what extent do the characteristic features of a chemical reaction network reflect its purpose and function? In general, one argues that correlations between specific features and specific functions are key to understanding a complex…

Statistical Mechanics · Physics 2012-03-22 Sang Hoon Lee , Sebastian Bernhardsson , Petter Holme , Beom Jun Kim , Petter Minnhagen

Here we focus on the challenge of verifying the correctness of molecular implementations of abstract chemical reaction networks, where operation in a well-mixed "soup" of molecules is stochastic, asynchronous, concurrent, and often involves…

Computational Engineering, Finance, and Science · Computer Science 2019-10-01 Seung Woo Shin , Chris Thachuk , Erik Winfree

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

We provide a category theoretical framework capturing two approaches to graph-based models of chemistry: formal reactions and disconnection rules. We model a translation from the latter to the former as a functor, which is faithful, and…

Logic in Computer Science · Computer Science 2024-10-03 Ella Gale , Leo Lobski , Fabio Zanasi

We show that adding new chemical species into the reactions of a chemical reaction network (CRN) in such a way that the rank of the network remains unchanged preserves its capacity for multiple nondegenerate equilibria and/or periodic…

Dynamical Systems · Mathematics 2022-09-14 Murad Banaji , Balázs Boros , Josef Hofbauer

Robustness of biochemical systems has become one of the central questions in Systems Biology, although it is notoriously difficult to formally capture its multifaceted nature. Maintenance of normal system function depends not only on the…

Molecular Networks · Quantitative Biology 2012-03-28 Jost Neigenfind , Sergio Grimbs , Zoran Nikoloski

Complex networks can be understood as graphs whose connectivity deviates from those of regular or near-regular graphs, which are understood as being `simple'. While a great deal of the attention so far dedicated to complex networks has been…

Data Analysis, Statistics and Probability · Physics 2008-08-29 Luciano da Fontoura Costa , Francisco A. Rodrigues

Universal intermittent dynamics in a random catalytic reaction network, induced by smallness in the molecule number is reported. Stochastic simulations for a random catalytic reaction network subject to a flow of chemicals show that the…

Statistical Mechanics · Physics 2009-02-20 Akinori Awazu , Kunihiko Kaneko

Complex networks describe a wide range of systems in nature and society. Frequently cited examples include Internet, WWW, a network of chemicals linked by chemical reactions, social relationship networks, citation networks, etc. The…

Physics and Society · Physics 2013-02-26 James Kim

In living cells, chemical reactions form a complex network. Complicated dynamics arising from such networks are the origins of biological functions. We propose a novel mathematical method to analyze bifurcation behaviors of a reaction…

Molecular Networks · Quantitative Biology 2018-08-08 Takashi Okada , Je-Chiang Tsai , Atsushi Mochizuki

We study a problem of failure of two interdependent networks in the case of correlated degrees of mutually dependent nodes. We assume that both networks (A and B) have the same number of nodes $N$ connected by the bidirectional dependency…

Disordered Systems and Neural Networks · Physics 2015-05-20 Sergey V. Buldyrev , Nathaniel Shere , Gabriel A. Cwilich

Chemical Reaction Networks (CRNs) are a well-established model of distributed computing characterized by quantities of molecular species that can transform or change through applications of reactions. A fundamental problem in CRNs is the…

Computational Complexity · Computer Science 2026-04-21 Divya Bajaj , Bin Fu , Ryan Knobel , Austin Luchsinger , Aiden Massie , Pablo Santos , Ramiro Santos , Robert Schweller , Evan Tomai , Tim Wylie

We consider how to generate chemical reaction networks (CRNs) from functional specifications. We propose a two-stage approach that combines synthesis by satisfiability modulo theories and Markov chain Monte Carlo based optimisation. First,…

Emerging Technologies · Computer Science 2015-08-19 Neil Dalchau , Niall Murphy , Rasmus Petersen , Boyan Yordanov

Chemical Reaction Neural Networks (CRNNs) have emerged as an interpretable machine learning framework for discovering reaction kinetics directly from data, while strictly adhering to the Arrhenius and mass action laws. However, standard…

Chemical Physics · Physics 2026-05-15 Benjamin C. Koenig , Sili Deng

Analysis of large continuous-time stochastic systems is a computationally intensive task. In this work we focus on population models arising from chemical reaction networks (CRNs), which play a fundamental role in analysis and design of…

Systems and Control · Computer Science 2019-05-27 Milan Češka , Jan Křetínský

This paper investigates the problem of decomposition with respect to outputs for Boolean control networks (BCNs). First, with the linear expression of BCNs and the matrix semi-tensor product, some algebraic equivalent conditions for the…

Optimization and Control · Mathematics 2014-07-09 Yunlei Zou , Jiandong Zhu

Autocatalytic chemical reaction networks can collectively replicate or maintain their constituents despite degradation reactions only above a certain threshold, which we refer to as the decay threshold. When the chemical network has a…

Molecular Networks · Quantitative Biology 2025-11-17 Armand Despons , Jérémie Unterberger , David Lacoste