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We present a framework to transform the problem of finding a Lyapunov function of a Chemical Reaction Network (CRN) in concentration coordinates with arbitrary monotone kinetics into finding a common Lyapunov function for a linear parameter…

Optimization and Control · Mathematics 2017-10-31 M. Ali Al-Radhawi , David Angeli

This paper studies chemical kinetic systems which decompose into weakly reversible complex factorizable (CF) systems. Among power law kinetic systems, CF systems (denoted as PL-RDK systems) are those where branching reactions of a reactant…

Dynamical Systems · Mathematics 2022-03-08 Bryan S. Hernandez , Eduardo R. Mendoza

We show that if a chemical reaction network (CRN) admits nondegenerate (resp., linearly stable) oscillation, and we add new reversible reactions involving new species to this CRN, then the new CRN so created also admits nondegenerate…

Dynamical Systems · Mathematics 2021-06-14 Murad Banaji

Graph transformation formalisms have proven to be suitable tools for the modelling of chemical reactions. They are well established in theoretical studies and increasingly also in practical applications in chemistry. The latter is made…

Discrete Mathematics · Computer Science 2022-08-29 Jakob L. Andersen , Rolf Fagerberg , Juri Kolčák , Christophe V. F. P. Laurent , Daniel Merkle , Nikolai Nøjgaard

The induced kinetic differential equation of a reaction network endowed with mass action type kinetics is a system of polynomial differential equations. The problem studied here is: Given a polynomial differential equation, is it possible…

Dynamical Systems · Mathematics 2019-09-10 G. Craciun , M. D. Johnston , G. Szederkényi , E. Tonello , J. Tóth , P. Y. Yu

We consider chemical reaction networks taken with mass action kinetics. The steady states of such a system are solutions to a system of polynomial equations. Even for small systems the task of finding the solutions is daunting. We develop…

Dynamical Systems · Mathematics 2011-09-08 Elisenda Feliu , Carsten Wiuf

This paper introduces a novel direct approach to system identification of dynamic networks with missing data based on maximum likelihood estimation. Dynamic networks generally present a singular probability density function, which poses a…

Systems and Control · Electrical Eng. & Systems 2024-07-31 João Victor Galvão da Mata , Anders Hansson , Martin S. Andersen

It is increasingly realized that taking stochastic effects into account is important in order to study biological cells. However, the corresponding mathematical formulation, the chemical master equation (CME), suffers from the curse of…

Numerical Analysis · Mathematics 2023-09-18 Lukas Einkemmer , Julian Mangott , Martina Prugger

Chemical kinetics and reaction engineering consists of the phenomenological framework for the disentanglement of reaction mechanisms, optimization of reaction performance and the rational design of chemical processes. Here, we utilize…

Machine Learning · Computer Science 2021-12-10 Gabriel S. Gusmão , Adhika P. Retnanto , Shashwati C. da Cunha , Andrew J. Medford

Embedding computation in biochemical environments incompatible with traditional electronics is expected to have wide-ranging impact in synthetic biology, medicine, nanofabrication and other fields. Natural biochemical systems are typically…

Machine Learning · Computer Science 2022-06-15 Marko Vasic , Cameron Chalk , Austin Luchsinger , Sarfraz Khurshid , David Soloveichik

Understanding structural controllability of a complex network requires to identify a Minimum Input nodes Set (MIS) of the network. It has been suggested that finding an MIS is equivalent to computing a maximum matching of the network, where…

Discrete Mathematics · Computer Science 2022-06-02 Xizhe Zhang , Jianfei Han , Weixiong Zhang

The aim of this work is to make available to the community a large collection of mass-action reaction networks of a given size for further research. The set is limited to what can be computed on a modern multi-core desktop in reasonable…

Molecular Networks · Quantitative Biology 2009-01-21 Anastasia C. Deckard , Frank T. Bergmann , Herbert M. Sauro

With the advent of high-throughput profiling methods, interest in reverse engineering the structure and dynamics of biochemical networks is high. Recently an algorithm for reverse engineering of biochemical networks was developed by…

Quantitative Methods · Quantitative Biology 2010-01-18 Edgar Delgado-Eckert

The behavior of some stochastic chemical reaction networks is largely unaffected by slight inaccuracies in reaction rates. We formalize the robustness of state probabilities to reaction rate deviations, and describe a formal connection…

Computational Complexity · Computer Science 2009-01-28 David Soloveichik

We study the model of continuous chemical reaction networks (CRNs), consisting of reactions such as $A+B \to C+D$ that can transform some continuous, nonnegative real-valued quantity (called a *concentration*) of chemical species $A$ and…

Emerging Technologies · Computer Science 2024-11-26 Kim Calabrese , David Doty

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…

Machine Learning · Computer Science 2026-03-13 Sophie Jaffard , Ivo F. Sbalzarini

In an ever expanding set of research and application areas, deep neural networks (DNNs) set the bar for algorithm performance. However, depending upon additional constraints such as processing power and execution time limits, or…

Machine Learning · Computer Science 2021-06-22 Nathan Dahlin , Krishna Chaitanya Kalagarla , Nikhil Naik , Rahul Jain , Pierluigi Nuzzo

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…

Emerging Technologies · Computer Science 2024-11-20 Alexander Wietfeld , Marina Wendrich , Sebastian Schmidt , Wolfgang Kellerer

In this paper, we provide a new scheme for approximating the weakly efficient solution set for a class of vector optimization problems with rational objectives over a feasible set defined by finitely many polynomial inequalities. More…

Optimization and Control · Mathematics 2022-05-26 Feng Guo , Liguo Jiao

We initiate the study of rate-constant-independent computation of Boolean predicates and numerical functions in the continuous model of chemical reaction networks (CRNs), which model the amount of a chemical species as a nonnegative,…

Computational Complexity · Computer Science 2025-06-10 Kim Calabrese , David Doty , Mina Latifi
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