On the Properties of the Reaction Counts Chemical Master Equation

The reaction counts chemical master equation (CME) is a high-dimensional variant of the classical population counts CME. In the reaction counts CME setting, we count the reactions which have fired over time rather than monitoring the population state over time. Since a reaction either fires or not,...

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Main Author: Vikram Sunkara
Format: Article
Language:English
Published: MDPI AG 2019-06-01
Series:Entropy
Subjects:
Online Access:https://www.mdpi.com/1099-4300/21/6/607
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author Vikram Sunkara
author_facet Vikram Sunkara
author_sort Vikram Sunkara
collection DOAJ
description The reaction counts chemical master equation (CME) is a high-dimensional variant of the classical population counts CME. In the reaction counts CME setting, we count the reactions which have fired over time rather than monitoring the population state over time. Since a reaction either fires or not, the reaction counts CME transitions are only forward stepping. Typically there are more reactions in a system than species, this results in the reaction counts CME being higher in dimension, but simpler in dynamics. In this work, we revisit the reaction counts CME framework and its key theoretical results. Then we will extend the theory by exploiting the reactions counts’ forward stepping feature, by decomposing the state space into independent continuous-time Markov chains (CTMC). We extend the reaction counts CME theory to derive analytical forms and estimates for the CTMC decomposition of the CME. This new theory gives new insights into solving hitting times-, rare events-, and a priori domain construction problems.
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spelling doaj.art-e20f33c3bc55413f89d889de578b48002022-12-22T02:06:34ZengMDPI AGEntropy1099-43002019-06-0121660710.3390/e21060607e21060607On the Properties of the Reaction Counts Chemical Master EquationVikram Sunkara0Computational Medicine, Zuse Institute Berlin, 14195 Berlin, GermanyThe reaction counts chemical master equation (CME) is a high-dimensional variant of the classical population counts CME. In the reaction counts CME setting, we count the reactions which have fired over time rather than monitoring the population state over time. Since a reaction either fires or not, the reaction counts CME transitions are only forward stepping. Typically there are more reactions in a system than species, this results in the reaction counts CME being higher in dimension, but simpler in dynamics. In this work, we revisit the reaction counts CME framework and its key theoretical results. Then we will extend the theory by exploiting the reactions counts’ forward stepping feature, by decomposing the state space into independent continuous-time Markov chains (CTMC). We extend the reaction counts CME theory to derive analytical forms and estimates for the CTMC decomposition of the CME. This new theory gives new insights into solving hitting times-, rare events-, and a priori domain construction problems.https://www.mdpi.com/1099-4300/21/6/607chemical master equationjump continuous-time Markov chainsreaction counts
spellingShingle Vikram Sunkara
On the Properties of the Reaction Counts Chemical Master Equation
Entropy
chemical master equation
jump continuous-time Markov chains
reaction counts
title On the Properties of the Reaction Counts Chemical Master Equation
title_full On the Properties of the Reaction Counts Chemical Master Equation
title_fullStr On the Properties of the Reaction Counts Chemical Master Equation
title_full_unstemmed On the Properties of the Reaction Counts Chemical Master Equation
title_short On the Properties of the Reaction Counts Chemical Master Equation
title_sort on the properties of the reaction counts chemical master equation
topic chemical master equation
jump continuous-time Markov chains
reaction counts
url https://www.mdpi.com/1099-4300/21/6/607
work_keys_str_mv AT vikramsunkara onthepropertiesofthereactioncountschemicalmasterequation