Optimal multi-time-scale estimates for diluted autocatalytic chemical networks. (1) Introduction and $\sigma^*$-dominant case
Jeremie Unterberger

TL;DR
This paper develops a new recursive method inspired by quantum field theory to accurately estimate long-term behavior of autocatalytic chemical networks, especially in the diluted regime, using Lyapunov eigenvalues.
Contribution
It introduces a novel, scale-based recursive algorithm for precise asymptotic analysis of autocatalytic networks, extending previous approaches with a focus on $\sigma^*$-dominant graphs.
Findings
Estimation of Lyapunov eigenvalues for specific graph classes
Validation of the method on simple examples
Preliminary results on $\sigma^*$-dominant graphs
Abstract
Autocatalytic chemical networks are dynamical systems whose linearization around zero has a positive Lyapunov exponent; this exponent gives the growth rate of the system in the diluted regime, i.e. for near-zero concentrations. The generator of the dynamics in the kinetic limit is then a Perron-Frobenius matrix, suggesting the use of Markov chain techniques to get long-time asymptotics. This series of works introduces a new, general procedure providing precise quantitative information about such asymptotics, based on estimates for the Lyapunov eigenvalue and eigenvector. The algorithm, inspired from Wilson's renormalization group method in quantum field theory, is based on a downward recursion on kinetic scales, starting from the fastest, and terminating with the slowest rates. Estimates take on the form of simple rational functions of kinetic rates. They are accurate under a separation…
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Taxonomy
TopicsComputational Drug Discovery Methods
