### Abstract

A computation-oriented representation of uncertain kinetic systems is introduced and analysed in this paper. It is assumed that the monomial coefficients of the ODEs belong to a polytopic set, which defines a set of dynamical systems for an uncertain model. An optimization-based computation model is proposed for the structural analysis of uncertain models. It is shown that the so-called dense realization containing the maximal number of reactions (directed edges) is computable in polynomial time, and it forms a superstructure among all the possible reaction graphs corresponding to an uncertain kinetic model, assuming a fixed set of complexes. The set of core reactions present in all reaction graphs of an uncertain model is also studied. Most importantly, an algorithm is proposed to compute all possible reaction graph structures for an uncertain kinetic model.

Original language | English |
---|---|

Journal | Computer Physics Communications |

DOIs | |

Publication status | Accepted/In press - Jan 1 2018 |

### Fingerprint

### Keywords

- Algorithms
- Convex optimization
- Reaction graphs
- Reaction networks
- Uncertain models

### ASJC Scopus subject areas

- Hardware and Architecture
- Physics and Astronomy(all)

### Cite this

*Computer Physics Communications*. https://doi.org/10.1016/j.cpc.2018.03.002

**A computational approach to the structural analysis of uncertain kinetic systems.** / Ács, Bernadett; Szlobodnyik, Gergely; Szederkényi, G.

Research output: Contribution to journal › Article

}

TY - JOUR

T1 - A computational approach to the structural analysis of uncertain kinetic systems

AU - Ács, Bernadett

AU - Szlobodnyik, Gergely

AU - Szederkényi, G.

PY - 2018/1/1

Y1 - 2018/1/1

N2 - A computation-oriented representation of uncertain kinetic systems is introduced and analysed in this paper. It is assumed that the monomial coefficients of the ODEs belong to a polytopic set, which defines a set of dynamical systems for an uncertain model. An optimization-based computation model is proposed for the structural analysis of uncertain models. It is shown that the so-called dense realization containing the maximal number of reactions (directed edges) is computable in polynomial time, and it forms a superstructure among all the possible reaction graphs corresponding to an uncertain kinetic model, assuming a fixed set of complexes. The set of core reactions present in all reaction graphs of an uncertain model is also studied. Most importantly, an algorithm is proposed to compute all possible reaction graph structures for an uncertain kinetic model.

AB - A computation-oriented representation of uncertain kinetic systems is introduced and analysed in this paper. It is assumed that the monomial coefficients of the ODEs belong to a polytopic set, which defines a set of dynamical systems for an uncertain model. An optimization-based computation model is proposed for the structural analysis of uncertain models. It is shown that the so-called dense realization containing the maximal number of reactions (directed edges) is computable in polynomial time, and it forms a superstructure among all the possible reaction graphs corresponding to an uncertain kinetic model, assuming a fixed set of complexes. The set of core reactions present in all reaction graphs of an uncertain model is also studied. Most importantly, an algorithm is proposed to compute all possible reaction graph structures for an uncertain kinetic model.

KW - Algorithms

KW - Convex optimization

KW - Reaction graphs

KW - Reaction networks

KW - Uncertain models

UR - http://www.scopus.com/inward/record.url?scp=85044618936&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85044618936&partnerID=8YFLogxK

U2 - 10.1016/j.cpc.2018.03.002

DO - 10.1016/j.cpc.2018.03.002

M3 - Article

AN - SCOPUS:85044618936

JO - Computer Physics Communications

JF - Computer Physics Communications

SN - 0010-4655

ER -