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Chemical reaction networks (CRNs) are foundational models for describing complex biochemical processes. We study noncompetitive CRNs, a class of networks whose static states are rate-independent, and that can implement ReLU neural networks.…

Molecular Networks · Quantitative Biology 2025-12-22 Louis Faul , Xavier Richard , Mary Betrisey , Christian Mazza

Molecular circuits capable of autonomous learning could unlock novel applications in fields such as bioengineering and synthetic biology. To this end, existing chemical implementations of neural computing have mainly relied on emulating…

Machine Learning · Computer Science 2025-09-23 Rajiv Teja Nagipogu , John H. Reif

We present a uniform method for translating an arbitrary nondeterministic finite automaton (NFA) into a deterministic mass action input/output chemical reaction network (I/O CRN) that simulates it. The I/O CRN receives its input as a…

Computational Complexity · Computer Science 2018-12-27 Titus H. Klinge , James I. Lathrop , Jack H. Lutz

Chemical reaction networks (CRNs) are fundamental computational models used to study the behavior of chemical reactions in well-mixed solutions. They have been used extensively to model a broad range of biological systems, and are primarily…

Molecular Networks · Quantitative Biology 2021-05-13 J. N. Mueller , J. N. Corcoran

We derive the nonequilibrium conductance matrix for open stationary Chemical Reaction Networks (CRNs) described by a deterministic mass action kinetic equation. As an illustration, we determine the nonequilibrium conductance matrix of a CRN…

Statistical Mechanics · Physics 2025-06-27 Paul Raux , Christophe Goupil , Gatien Verley

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

Random graph models have been instrumental in characterizing complex networks, but chemical reaction networks (CRNs) are better represented as hypergraphs. Traditional models of random CRNs often reduce CRNs to bipartite graphs,…

Statistical Mechanics · Physics 2025-07-15 Shesha Gopal Marehalli Srinivas , Massimiliano Esposito , Nahuel Freitas

Reaction networks (RNs) comprise a set $X$ of species and a set $\mathscr{R}$ of reactions $Y\to Y'$, each converting a multiset of educts $Y\subseteq X$ into a multiset $Y'\subseteq X$ of products. RNs are equivalent to directed…

Molecular Networks · Quantitative Biology 2022-01-06 Stefan Müller , Christoph Flamm , Peter F. Stadler

The dynamics of a chemical reaction network (CRN) is often modelled under the assumption of mass action kinetics by a system of ordinary differential equations (ODEs) with polynomial right-hand sides that describe the time evolution of…

Dynamical Systems · Mathematics 2023-01-05 Radek Erban , Hye-Won Kang

Proposals for molecular communication networks as part of a future internet of bio-nano-things have become more intricate and the question of practical implementation is gaining more importance. One option is to apply detailed chemical…

Emerging Technologies · Computer Science 2024-11-20 Alexander Wietfeld , Marina Wendrich , Sebastian Schmidt , Wolfgang Kellerer

Chemical reactor networks (CRNs) enable simulations of combustion reactors with detailed chemical kinetics and strongly simplified flow structure. In this paper, the implementation of a reactor component with less idealized flow structure,…

Fluid Dynamics · Physics 2023-05-22 Lisanne Gossel , Mathis Fricke , Dieter Bothe

The chemical reaction network (CRN) is a widely used formalism to describe macroscopic behavior of chemical systems. Available tools for CRN modelling and simulation require local access, installation, and often involve local file storage,…

Computational Engineering, Finance, and Science · Computer Science 2015-12-07 Peter Banda , Drew Blount , Christof Teuscher

The Chemical Reaction Network (CRN) is a well-studied model that describes the interaction of molecules in well-mixed solutions. In 2014, Qian and Winfree [22] proposed the abstract surface chemical reaction network model (sCRN), which…

Computational Complexity · Computer Science 2024-06-14 Yi-Xuan Lee , Ho-Lin Chen

We mathematically prove that chemical reaction networks without hidden layers can solve tasks for which spiking neural networks require hidden layers. Our proof uses the deterministic mass-action kinetics formulation of chemical reaction…

Machine Learning · Computer Science 2026-03-13 Sophie Jaffard , Ivo F. Sbalzarini

This paper presents new results about the optimization based generation of chemical reaction networks (CRNs) of higher deficiency. Firstly, it is shown that the graph structure of the realization containing the maximal number of reactions…

Molecular Networks · Quantitative Biology 2011-03-23 Gabor Szederkenyi , Katalin M. Hangos , Tamas Peni

Chemical reaction networks (CRNs) are prototypical complex systems because reactions are nonlinear and connected in intricate ways, and they are also essential to understand living systems. Here, I discuss how recent developments in…

Statistical Mechanics · Physics 2020-12-23 Massimiliano Esposito

Dynamical systems in biology are complex, and one often does not have comprehensive knowledge about the interactions involved. Chemical reaction network (CRN) inference aims to identify, from observing species concentrations over time, the…

Methodology · Statistics 2026-04-15 Yong See Foo , Adriana Zanca , Jennifer A. Flegg , Ivo Siekmann

In this paper we review the mathematical foundations of convolutional neural nets (CNNs) with the goals of: i) highlighting connections with techniques from statistics, signal processing, linear algebra, differential equations, and…

Machine Learning · Computer Science 2021-07-08 Shengli Jiang , Victor M. Zavala

In this paper, it is presented a methodology for implementing arbitrarily constructed time-homogenous Markov chains with biochemical systems. Not only discrete but also continuous-time Markov chains are allowed to be computed. By employing…

Molecular Networks · Quantitative Biology 2018-02-16 Chuan Zhang , Ziyuan Shen , Wei Wei , Jing Zhao , Zaichen Zhang , Xiaohu You

Stochastic evolution of Chemical Reactions Networks (CRNs) over time is usually analysed through solving the Chemical Master Equation (CME) or performing extensive simulations. Analysing stochasticity is often needed, particularly when some…

Logic in Computer Science · Computer Science 2015-09-11 Luca Laurenti , Luca Cardelli , Marta Kwiatkowska