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Information geometry is based on classical Legendre duality but allows to incorporate additional structure such as algebraic constraints and Bregman divergence functions. It is naturally suited, and has been successfully used, to describe…

Molecular Networks · Quantitative Biology 2025-03-26 Dimitri Loutchko , Yuki Sughiyama , Tetsuya J. Kobayashi

We investigate the dynamics of chemical reaction networks (CRNs) with the goal of deriving an upper bound on their reaction rates. This task is challenging due to the nonlinear nature and discrete structure inherent in CRNs. To address…

Chemical Physics · Physics 2023-09-20 Tsuyoshi Mizohata , Tetsuya J. Kobayashi , Louis-S. Bouchard , Hideyuki Miyahara

Chemical reaction networks (CRNs) are directed graphs with reactant or product complexes as vertices, and reactions as arcs. A CRN is weakly reversible if each of its connected components is strongly connected. Weakly reversible networks…

Motivation: A Chemical Reaction Network (CRN) is a set of chemical reactions, which can be very complex and difficult to analyze. Indeed, dynamical properties of CRNs can be described by a set of non-linear differential equations that…

Computational Engineering, Finance, and Science · Computer Science 2021-07-02 Lucia Nasti , Roberta Gori , Paolo Milazzo , Federico Poloni

A chemical reaction network (CRN) is composed of reactions that can be seen as interactions among entities called species, which exist within the system. Endowed with kinetics, CRN has a corresponding set of ordinary differential equations…

Dynamical Systems · Mathematics 2021-04-20 Bryan S. Hernandez , Ralph John L. De la Cruz

Formal methods have enabled breakthroughs in many fields, such as in hardware verification, machine learning and biological systems. The key object of interest in systems biology, synthetic biology, and molecular programming is chemical…

Emerging Technologies · Computer Science 2020-08-11 Marko Vasic , David Soloveichik , Sarfraz Khurshid

Understanding the emergent behavior of chemical reaction networks (CRNs) is a fundamental aspect of biology and its origin from inanimate matter. A closed CRN monotonically tends to thermal equilibrium, but when it is opened to external…

Molecular Networks · Quantitative Biology 2024-05-16 Masanari Shimada , Pegah Behrad , Eric De Giuli

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

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

Chemical reaction networks (CRNs) provide a convenient language for modelling a broad variety of biological systems. These models are commonly studied with respect to the time series they generate in deterministic or stochastic simulations.…

Molecular Networks · Quantitative Biology 2019-07-11 Ozan Kahramanoğulları

Chemical reaction networks (CRNs) model the behavior of molecules in a well-mixed system. The emerging field of molecular programming uses CRNs not only as a descriptive tool, but as a programming language for chemical computation.…

Computational Complexity · Computer Science 2015-09-04 Adam Case , Jack H. Lutz , D. M. Stull

Coupled chemical interactions in a well-mixed solution are commonly formalized as chemical reaction networks (CRNs). However, despite the widespread use of CRNs in the natural sciences, the range of computational behaviors exhibited by CRNs…

Emerging Technologies · Computer Science 2023-04-11 Ho-Lin Chen , David Doty , Wyatt Reeves , David Soloveichik

Chemical systems are interpreted through the species they contain and the reactions they may undergo, i.e., their chemical reaction network (CRN). In spite of their central importance to chemistry, the structure of CRNs continues to be…

Statistical Mechanics · Physics 2025-06-17 Alex Blokhuis , Martijn van Kuppeveld , Daan van de Weem , Robert Pollice

Chemical Reaction Networks (CRNs) provide a useful abstraction of molecular interaction networks in which molecular structures as well as mass conservation principles are abstracted away to focus on the main dynamical properties of the…

Molecular Networks · Quantitative Biology 2020-07-31 Elisabeth Degrand , François Fages , Sylvain Soliman

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

Living systems operate out of equilibrium, continuously consuming energy to sustain organised, functional states. Their emergent behaviour usually relies on a set of interconnected chemical reaction networks (CRNs) driven by external fluxes…

Statistical Mechanics · Physics 2026-02-03 Shiling Liang , Paolo De Los Rios , Daniel Maria Busiello

In this work, we design a type of controller that consists of adding a specific set of reactions to an existing mass-action chemical reaction network in order to control a target species. This set of reactions is effective for both…

Molecular Networks · Quantitative Biology 2020-07-27 Jinsu Kim , German Enciso

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

A reaction system exhibits "absolute concentration robustness" (ACR) in some species if the positive steady-state value of that species does not depend on initial conditions. Mathematically, this means that the positive part of the variety…

Dynamical Systems · Mathematics 2022-06-08 Nicolette Meshkat , Anne Shiu , Angélica Torres

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
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