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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.…

分子网络 · 定量生物学 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…

机器学习 · 计算机科学 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…

计算复杂性 · 计算机科学 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…

分子网络 · 定量生物学 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…

统计力学 · 物理学 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…

统计力学 · 物理学 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,…

统计力学 · 物理学 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…

分子网络 · 定量生物学 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…

动力系统 · 数学 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…

新兴技术 · 计算机科学 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,…

流体动力学 · 物理学 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,…

计算工程、金融与科学 · 计算机科学 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…

计算复杂性 · 计算机科学 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…

机器学习 · 计算机科学 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…

分子网络 · 定量生物学 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…

统计力学 · 物理学 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…

统计方法学 · 统计学 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…

机器学习 · 计算机科学 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…

分子网络 · 定量生物学 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…

计算机科学中的逻辑 · 计算机科学 2015-09-11 Luca Laurenti , Luca Cardelli , Marta Kwiatkowska