Reaction cleaving and complex-balanced distributions for chemical reaction networks with general kinetics

Reaction networks have become a major modelling framework in the biological sciences from epidemiology and population biology to genetics and cellular biology. In recent years, much progress has been made on stochastic reaction networks (SRNs), modelled as continuous time Markov chains (CTMCs) and their stationary distributions. We are interested in complex-balanced stationary distributions, where the probability flow out of a complex equals the flow into the complex. We characterise the existence and the form of complex-balanced distributions of SRNs with arbitrary transition functions through conditions on the cycles of the reaction graph (a digraph). Furthermore, we give a sufficient condition for the existence of a complex-balanced distribution and give precise conditions for when it is also necessary. The sufficient condition is also necessary for mass-action kinetics (and certain generalisations of that) or if the connected components of the digraph are cycles. Moreover, we state a deficiency theorem, a generalisation of the deficiency theorem for stochastic mass-action kinetics to arbitrary stochastic kinetics. The theorem gives the co-dimension of the parameter space for which a complex-balanced distribution exists. To achieve this, we construct an iterative procedure to decompose a strongly connected reaction graph into disjoint cycles, such that the corresponding SRN has equivalent dynamics and preserves complex-balancedness, provided the original SRN had so. This decomposition might have independent interest and might be applicable to edge-labelled digraphs in general.

Linard Hoessly, Carsten Wiuf, Panqiu Xia · 2023