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We develop a thermodynamic framework for closed and open chemical networks applicable to non-elementary reactions that do not need to obey mass action kinetics. It only requires the knowledge of the kinetics and of the standard chemical…

Statistical Mechanics · Physics 2020-09-16 Francesco Avanzini , Gianmaria Falasco , Massimiliano Esposito

Living systems operate in a critical dynamical regime -- between order and chaos -- where they are both resilient to perturbation, and flexible enough to evolve. To characterize such critical dynamics, the established 'structural theory' of…

Molecular Networks · Quantitative Biology 2022-01-28 Santosh Manicka , Manuel Marques-Pita , Luis M. Rocha

Chemical reaction networks are often used to model and understand biological processes such as cell signaling. Under the framework of chemical reaction network theory, a process is modeled with a directed graph and a choice of kinetics,…

Combinatorics · Mathematics 2020-12-07 Mark Curiel , Elizabeth Gross , Carlos Munoz

The goal of this paper is to gather and develop some necessary and sufficient criteria for injectivity and multistationarity in vector fields associated with a chemical reaction network under a variety of more or less general assumptions on…

Dynamical Systems · Mathematics 2016-10-28 Murad Banaji , Casian Pantea

Oscillations arise in many real-world systems and are associated with both functional and dysfunctional states. Whether a network can oscillate can be estimated if we know the strength of interaction between nodes. But in real-world…

Neurons and Cognition · Quantitative Biology 2023-11-16 Jie Zang , Shenquan Liu , Pascal Helson , Arvind Kumar

Autocatalysis, the ability of a chemical system to make more of itself, is a crucial feature in metabolism and is speculated to have played a decisive role in the origin of life. Nevertheless, how autocatalytic systems behave far from…

Chemical Physics · Physics 2024-10-23 Armand Despons

Bistability is ubiquitous in biological systems. For example, bistability is found in many reaction networks that involve the control and execution of important biological functions, such as signalling processes. Positive feedback loops,…

Molecular Networks · Quantitative Biology 2014-10-29 Elisenda Feliu , Carsten Wiuf

Forecasting system behaviour near and across bifurcations is crucial for identifying potential shifts in dynamical systems. While machine learning has recently been used to learn critical transitions and bifurcation structures from data,…

Machine Learning · Computer Science 2025-11-14 Eva van Tegelen , George van Voorn , Ioannis Athanasiadis , Peter van Heijster

Autocatalytic systems are very often incorporated in the "origin of life" models, a connection that has been analyzed in the context of the classical hypercycles introduced by Manfred Eigen. We investigate the dynamics of certain networks…

Dynamical Systems · Mathematics 2020-12-14 Gheorghe Craciun , Abhishek Deshpande , Badal Joshi , Polly Y. Yu

The recent success of large foundation models in artificial intelligence has prompted the emergence of chemical pre-trained models. Despite the growing interest in large molecular pre-trained models that provide informative representations…

Machine Learning · Computer Science 2025-05-26 Jinho Chang , Jong Chul Ye

Continuous-time Markov chains are frequently used as stochastic models for chemical reaction networks, especially in the growing field of systems biology. A fundamental problem for these Stochastic Chemical Reaction Networks (SCRNs) is to…

Probability · Mathematics 2023-04-12 Felipe A. Campos , Simone Bruno , Yi Fu , Domitilla Del Vecchio , Ruth J. Williams

In living cells, biochemical reactions are catalyzed by specific enzymes and connect to one another by sharing substrates and products, forming complex networks. In our previous studies, we established a framework determining the responses…

Molecular Networks · Quantitative Biology 2017-09-06 Takashi Okada , Atsushi Mochizuki

In this paper, we present a general framework for constructively proving the existence and stability of stationary localized 1D solutions and saddle-node bifurcations in activator--inhibitor systems using computer-assisted proofs.…

Analysis of PDEs · Mathematics 2026-01-19 Dominic Blanco , Matthieu Cadiot , Daniel Fassler

Complex chemical reaction networks, which underlie many industrial and biological processes, often exhibit non-monotonic changes in chemical species concentrations, typically described using nonlinear models. Such non-monotonic dynamics are…

Adaptation and Self-Organizing Systems · Physics 2020-10-21 Zachary G. Nicolaou , Takashi Nishikawa , Schuyler B. Nicholson , Jason R. Green , Adilson E. Motter

This paper (parts I and II) provides an expository introduction to monotone and near-monotone dynamical systems associated to biochemical networks, those whose graphs are consistent or near-consistent. Many conclusions can be drawn from…

Molecular Networks · Quantitative Biology 2007-05-23 Eduardo D. Sontag

Several authors have reported that the echo state network reproduces bifurcation diagrams of some nonlinear differential equations using the data for a few control parameters. We demonstrate that a simpler feedforward neural network can…

Chaotic Dynamics · Physics 2024-09-13 Hidetsugu Sakaguchi

This paper (parts I and II) provides an expository introduction to monotone and near-monotone dynamical systems associated to biochemical networks, those whose graphs are consistent or near-consistent. Many conclusions can be drawn from…

Molecular Networks · Quantitative Biology 2007-05-23 Eduardo D. Sontag

The concept of (auto)catalytic systems has become a cornerstone in understanding evolutionary processes in various fields. The common ground is the observation that for the production of new species/goods/ideas/elements etc. the…

Populations and Evolution · Quantitative Biology 2009-11-13 Rudolf Hanel , Peter Klimek , Stefan Thurner

Theoretical results regarding two-dimensional ordinary-differential equations (ODEs) with second-degree polynomial right-hand sides are summarized, with an emphasis on limit cycles, limit cycle bifurcations and multistability. The results…

Molecular Networks · Quantitative Biology 2017-05-30 Tomislav Plesa , Tomas Vejchodsky , Radek Erban

In this article we present the influence of a Hamiltonian saddle-node bifurcation on the high-dimensional phase space structures that mediate reaction dynamics. To achieve this goal, we identify the phase space invariant manifolds using…

Chaotic Dynamics · Physics 2020-05-20 Víctor J. García-Garrido , Shibabrat Naik , Stephen Wiggins