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Using random walk sampling methods for feature learning on networks, we develop a method for generating low-dimensional node embeddings for directed graphs and identifying transition states of stochastic chemical reacting systems. We…

Numerical Analysis · Mathematics 2020-10-30 Paula Mercurio , Di Liu

External flows of energy, entropy, and matter can cause sudden transitions in the stability of biological and industrial systems, fundamentally altering their dynamical function. How might we control and design these transitions in chemical…

Molecular Networks · Quantitative Biology 2023-06-19 Zachary G. Nicolaou , Schuyler B. Nicholson , Adilson E. Motter , Jason R. Green

Well-mixed chemical reaction networks (CRNs) contain many distinct chemical species with copy numbers that fluctuate in correlated ways. While those correlations are typically monitored via Monte Carlo sampling of stochastic trajectories,…

Statistical Mechanics · Physics 2026-01-14 John P. Zima , Schuyler B. Nicholson , Todd R. Gingrich

Within a fully microscopic setting, we derive a variational principle for the non-equilibrium steady states of chemical reaction networks, valid for time-scales over which chemical potentials can be taken to be slowly varying: at…

Molecular Networks · Quantitative Biology 2015-06-05 Andrea De Martino , Daniele De Martino , Roberto Mulet , Guido Uguzzoni

The steady-state degree of a chemical reaction network is the number of complex steady-states for generic rate constants and initial conditions. One way to bound the steady-state degree is through the mixed volume of the steady-state system…

Combinatorics · Mathematics 2023-04-03 Jane Ivy Coons , Mark Curiel , Elizabeth Gross

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

Much attention has been focused in recent years on the following algebraic problem arising from applications: which chemical reaction networks, when taken with mass-action kinetics, admit multiple positive steady states? The interest behind…

Dynamical Systems · Mathematics 2018-06-06 Anne Shiu , Timo de Wolff

Complex networks describe a wide range of systems in nature and society, much quoted examples including the cell, a network of chemicals linked by chemical reactions, or the Internet, a network of routers and computers connected by physical…

Statistical Mechanics · Physics 2016-08-31 Reka Albert , Albert-Laszlo Barabasi

We study real steady state varieties of the dynamics of chemical reaction networks. The dynamics are derived using mass action kinetics with parametric reaction rates. The models studied are not inherently parametric in nature. Rather, our…

Molecular Networks · Quantitative Biology 2021-07-06 Hamid Rahkooy , Thomas Sturm

We establish a new relationship between monotonicity and contractivity and use this connection to describe a new general class of weakly contractive reaction networks. The new class is characterized by the stoichiometry matrix of the…

Dynamical Systems · Mathematics 2025-06-24 Alon Duvall , M. Ali Al-Radhawi , Dhruv D. Jatkar , Eduardo Sontag

For chemical reaction networks described by a master equation, we define energy and entropy on a stochastic trajectory and develop a consistent nonequilibrium thermodynamic description along a single stochastic trajectory of reaction…

Statistical Mechanics · Physics 2009-11-11 Tim Schmiedl , Udo Seifert

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

In living cells, chemical reactions form a complex network. Complicated dynamics arising from such networks are the origins of biological functions. We propose a novel mathematical method to analyze bifurcation behaviors of a reaction…

Molecular Networks · Quantitative Biology 2018-08-08 Takashi Okada , Je-Chiang Tsai , Atsushi Mochizuki

Mass-action kinetics and its generalizations appear in mathematical models of (bio-)chemical reaction networks, population dynamics, and epidemiology. The dynamical systems arising from directed graphs are generally non-linear and difficult…

Dynamical Systems · Mathematics 2019-08-28 Gheorghe Craciun , Stefan Muller , Casian Pantea , Polly Y. Yu

Reaction networks are systems in which the populations of a finite number of species evolve through predefined interactions. Such networks are found as modeling tools in many biological disciplines such as biochemistry, ecology,…

Molecular Networks · Quantitative Biology 2015-06-15 Ankit Gupta , Corentin Briat , Mustafa Khammash

We consider toric dynamical systems, which are also called complex-balanced mass-action systems. These are remarkably stable polynomial dynamical systems that arise from the analysis of mathematical models of reaction networks when, under…

Algebraic Geometry · Mathematics 2024-12-31 Gheorghe Craciun , Jiaxin Jin , Miruna-Stefana Sorea

Reaction networks taken with mass-action kinetics arise in many settings, from epidemiology to population biology to systems of chemical reactions. Bistable reaction networks are posited to underlie biochemical switches, which motivates the…

Dynamical Systems · Mathematics 2016-09-20 Badal Joshi , Anne Shiu

Controlling complex reaction networks is a fundamental challenge in the fields of physics, biology, and systems engineering. Here, we prove a general principle for catalytic reaction systems with kinetics where the reaction order and the…

Biological Physics · Physics 2026-02-26 Yusuke Himeoka , Shuhei A. Horiguchi , Naoto Shiraishi , Fangzhou Xiao , Tetsuya J. Kobayashi

We present a novel method for identifying a biochemical reaction network based on multiple sets of estimated reaction rates in the corresponding reaction rate equations arriving from various (possibly different) experiments. The current…

Applications · Statistics 2008-10-06 Gheorghe Craciun , Casian Pantea , Grzegorz A. Rempala

Reaction networks are a general formalism for describing collections of classical entities interacting in a random way. While reaction networks are mainly studied by chemists, they are equivalent to Petri nets, which are used for similar…

Mathematical Physics · Physics 2021-11-23 John C. Baez