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
INIS
- Country of Publication
- United States
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- Subject category
- S97: MATHEMATICAL METHODS AND COMPUTING; S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
- Descriptors DEI
- CHEMICAL REACTIONS; COMPLEXES; COMPUTERIZED SIMULATION; CONVERGENCE; ENGINEERING; GEOMETRY; INFORMATION; LIMITING VALUES; NETWORK ANALYSIS; NONLINEAR PROBLEMS; NUCLEAR REACTIONS; NUMERICAL ANALYSIS; POTENTIALS; REACTION KINETICS; STOICHIOMETRY
- Descriptors DEC
- KINETICS; MATHEMATICS; SIMULATION
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