Information geometric bound on general chemical reaction networks

Bibliographic Details
Title: Information geometric bound on general chemical reaction networks
Authors: Mizohata, Tsuyoshi, Kobayashi, Tetsuya J., Bouchard, Louis-S., Miyahara, Hideyuki
Publication Year: 2023
Collection: Computer Science
Mathematics
Condensed Matter
Physics (Other)
Statistics
Subject Terms: Physics - Chemical Physics, Condensed Matter - Statistical Mechanics, Computer Science - Information Theory, Statistics - Machine Learning
More Details: We investigate the dynamics of chemical reaction networks (CRNs) with the goal of deriving an upper bound on their reaction rates. This task is challenging due to the nonlinear nature and discrete structure inherent in CRNs. To address this, we employ an information geometric approach, using the natural gradient, to develop a nonlinear system that yields an upper bound for CRN dynamics. We validate our approach through numerical simulations, demonstrating faster convergence in a specific class of CRNs. This class is characterized by the number of chemicals, the maximum value of stoichiometric coefficients of the chemical reactions, and the number of reactions. We also compare our method to a conventional approach, showing that the latter cannot provide an upper bound on reaction rates of CRNs. While our study focuses on CRNs, the ubiquity of hypergraphs in fields from natural sciences to engineering suggests that our method may find broader applications, including in information science.
Comment: 11 pages
Document Type: Working Paper
Access URL: http://arxiv.org/abs/2309.10334
Accession Number: edsarx.2309.10334
Database: arXiv
More Details
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