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Complex systems can be advantageously modeled by formal reaction systems (RS), a.k.a. chemical reaction networks in chemistry. Reaction-based models can indeed be interpreted in a hierarchy of semantics, depending on the question at hand,…

Molecular Networks · Quantitative Biology 2024-06-27 Hugo Buscemi , François Fages

Deciding whether and where a system of parametrized ordinary differential equations displays bistability, that is, has at least two asymptotically stable steady states for some choice of parameters, is a hard problem. For systems modeling…

Molecular Networks · Quantitative Biology 2020-08-31 Angélica Torres , Elisenda Feliu

The quantitative convergence to equilibrium for reaction-diffusion systems arising from complex balanced chemical reaction networks with mass action kinetics is studied by using the so-called entropy method. In the first part of the paper,…

Analysis of PDEs · Mathematics 2016-11-11 Laurent Desvillettes , Klemens Fellner , Bao Quoc Tang

This paper describes the optimal selection of a control policy to program the steady state of controlled nonlinear systems with hyperbolic fixed points. This work is motivated by the field of synthetic biology, in which saddle points are…

Dynamical Systems · Mathematics 2020-06-11 Aqib Hasnain , Nibodh Boddupalli , Shara Balakrishnan , Enoch Yeung

The goal of this thesis is to improve our understanding of the internal mechanisms by which deep artificial neural networks create meaningful representations and are able to generalize. We focus on the challenge of characterizing the…

Machine Learning · Computer Science 2025-10-29 Diego Doimo

The standard two-step model of homogeneous-catalyzed reactions had been theoretically analyzed at various levels of approximations from time to time. The primary aim was to check the validity of the quasi-steady-state approximation, and…

Chemical Physics · Physics 2019-11-14 Kamal Bhattacharyya , Sharmistha Dhatt

This paper develops a unified methodology for probabilistic analysis and optimal control design for jump diffusion processes defined by polynomials. For such systems, the evolution of the moments of the state can be described via a system…

Optimization and Control · Mathematics 2017-02-03 Andrew Lamperski , Khem Raj Ghusinga , Abhyudai Singh

This article characterizes certain small multistationary chemical reaction networks. We consider the set of fully open networks, those for which all chemical species participate in inflow and outflow, containing one non-flow (reversible or…

Dynamical Systems · Mathematics 2013-01-18 Badal Joshi

Using the density matrix formalism, we prove an existence theorem of the periodic steady-state for an arbitrary periodically-driven system. This state has the same period as the modulated external influence, and it is realized as an…

Atomic Physics · Physics 2016-02-17 V. I. Yudin , A. V. Taichenachev , M. Yu. Basalaev , D. Kovalenko

We introduce thermodynamic networks, a general framework for autonomous, physics-based computation using non-equilibrium steady states. These networks are modeled as a collection of finite-size reservoirs that exchange conserved…

Large time dynamics of reaction-diffusion systems modeling some irreversible reaction networks are investigated. Depending on initial masses, these networks possibly possess boundary equilibria, where some of the chemical concentrations are…

Analysis of PDEs · Mathematics 2024-11-04 Thi Lien Nguyen , Bao Quoc Tang

We consider the numerical solution of coupled volume-surface reaction-diffusion systems having a detailed balance equilibrium. Based on the conservation of mass, an appropriate quadratic entropy functional is identified and an…

Numerical Analysis · Mathematics 2015-11-04 Herbert Egger , Klemens Fellner , Jan-Frederik Pietschmann , Bao Quoc Tang

Chemical reaction networks in living cells maintain precise control over thousands of metabolites despite operating far from equilibrium under constant perturbations. While mass action kinetics accurately describe the underlying dynamics,…

Optimization and Control · Mathematics 2025-08-27 Steven Diamond

This paper proposes an optimization-based framework for the analysis of multiperiod directed multihypergraphs aimed at identifying self-amplifying structures that sustain endogenous growth in complex systems. The approach captures the…

Optimization and Control · Mathematics 2026-04-15 Víctor Blanco , Ricardo Gázquez , Juan Francisco Ocaña-Rivas

The equilibration of enzyme and complex concentrations in deterministic Michaelis-Menten reaction networks underlies the hyperbolic dependence between the input (substrates) and output (products). This relationship was first obtained by…

Molecular Networks · Quantitative Biology 2024-09-30 Subham Pal , Manmath Panigrahy , R. Adhikari , Arti Dua

We study the uniqueness of reaction-diffusion steady states in general domains with Dirichlet boundary data. Here we consider "positive" (monostable) reactions. We describe geometric conditions on the domain that ensure uniqueness and we…

Analysis of PDEs · Mathematics 2025-07-28 Henri Berestycki , Cole Graham

Data-driven modeling of dynamical systems is a crucial area of machine learning. In many scenarios, a thorough understanding of the model's behavior becomes essential for practical applications. For instance, understanding the behavior of a…

Machine Learning · Computer Science 2025-04-14 Krzysztof Kacprzyk , Mihaela van der Schaar

Mass-action chemical reaction systems are frequently used in Computational Biology. The corresponding polynomial dynamical systems are often large (consisting of tens or even hundreds of ordinary differential equations) and poorly…

Dynamical Systems · Mathematics 2011-07-13 Mercedes Perez Millan , Alicia Dickenstein , Anne Shiu , Carsten Conradi

In many biological situations, a species arriving from a remote source diffuses in a domain confined between two parallel surfaces until it finds a binding partner. Since such a geometric shape falls in between two- and three-dimensional…

Chemical Physics · Physics 2019-11-05 Denis S. Grebenkov , Diego Krapf

While the analytical solution for the marginal distribution of a stochastic chemical reaction network has been extensively studied, its joint distribution, i.e. the solution of a high-dimensional chemical master equation, has received much…

Molecular Networks · Quantitative Biology 2021-11-16 Youming Li , Da-Quan Jiang , Chen Jia
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