Published April 11, 2024 | Version v1
Journal article

Information geometric bound on general chemical reaction networks

  • 1. Graduate School of Information Science and Technology, Hokkaido University, Sapporo, Hokkaido 060-0814, Japan
  • 2. Institute of Industrial Science, The University of Tokyo, 4-6-1, Komaba, Meguro-ku, Tokyo 153-8505 Japan
  • 3. Center for Quantum Science and Engineering, University of California, Los Angeles, California 90095, USA
  • 4. Department of Chemistry and Biochemistry, University of California, Los Angeles, California 90095, USA
  • 5. California NanoSystems Institute, University of California, Los Angeles, California 90095, USA

Description

We investigate the convergence of chemical reaction networks (CRNs), aiming to establish an upper bound on their reaction rates. The nonlinear characteristics and discrete composition of CRNs pose significant challenges in this endeavor. To circumvent these complexities, we adopt an information geometric perspective, utilizing the natural gradient to formulate a nonlinear system. This system effectively determines an upper bound for the dynamics of CRNs. We corroborate our methodology through numerical simulations, which reveal that our constructed system converges more rapidly than CRNs within a particular class of reactions. This class is defined by the count of chemicals, the highest stoichiometric coefficients in the reactions, and the total number of reactions involved. Further, we juxtapose our approach with traditional methods, illustrating that the latter falls short in providing an upper bound for CRN reaction rates. Although our investigation centers on CRNs, the widespread presence of hypergraphs across various disciplines, ranging from natural sciences to engineering, indicates potential wider applications of our method, including in the realm of information science.

Additional details

Identifiers

DOI
10.1103/PhysRevE.109.044308;
arXiv
arXiv:2309.10334;
Crossref Funder ID
10.13039/501100001691; 10.13039/501100001695; 10.13039/100000001;

Publishing Information

Journal Title
Physical Review E
Journal Volume
109
Journal Issue
4
Journal Page Range
12 pgs.
ISSN
1089-3787

Optional Information

Copyright
©2024 American Physical Society
Contract/Grant/Project number
JP23H04489; 19H05799; JPMJCR2011; JPMJCR1927; CHE-2002313
Notes
Contact Email: mizohata.tsuyoshi.t8@elms.hokudai.ac.jp; Contact Email: tetsuya@sat.t.u-tokyo.ac.jp; Contact Email: louis.bouchard@gmail.com; Contact Email: Corresponding author: miyahara@ist.hokudai.ac.jp, hmiyahara512@gmail.com; Record automatically processed
Funding organization
Japan Society for the Promotion of Science; Japan Science and Technology Corporation; National Science Foundation