Unbiased estimation of second-order parameter sensitivities for stochastic reaction networks

Fuente: arXiv
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Main Authors: Badolle, Quentin, Gupta, Ankit, Khammash, Mustafa
Format: Preprint
Published: 2024
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author Badolle, Quentin
Gupta, Ankit
Khammash, Mustafa
author_facet Badolle, Quentin
Gupta, Ankit
Khammash, Mustafa
contents Stochastic models for chemical reaction networks are increasingly popular in systems and synthetic biology. These models formulate the reaction dynamics as Continuous-Time Markov Chains (CTMCs) whose propensities are parameterized by a vector $θ$ and parameter sensitivities are introduced as derivatives of their expected outputs with respect to components of the parameter vector. Sensitivities characterise key properties of the output like robustness and are also at the heart of numerically efficient optimisation routines like Newton-type algorithms used in parameter inference and the design of of control mechanisms. Currently the only unbiased estimator for second-order sensitivities is based on the Girsanov transform and it often suffers from high estimator variance. We develop a novel estimator for second-order sensitivities by first rigorously deriving an integral representation of these sensitivities. We call the resulting method the Double Bernoulli Path Algorithm and illustrate its efficiency through numerical examples.
format Preprint
id arxiv_https___arxiv_org_abs_2410_11471
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Unbiased estimation of second-order parameter sensitivities for stochastic reaction networks
Badolle, Quentin
Gupta, Ankit
Khammash, Mustafa
Molecular Networks
Probability
Stochastic models for chemical reaction networks are increasingly popular in systems and synthetic biology. These models formulate the reaction dynamics as Continuous-Time Markov Chains (CTMCs) whose propensities are parameterized by a vector $θ$ and parameter sensitivities are introduced as derivatives of their expected outputs with respect to components of the parameter vector. Sensitivities characterise key properties of the output like robustness and are also at the heart of numerically efficient optimisation routines like Newton-type algorithms used in parameter inference and the design of of control mechanisms. Currently the only unbiased estimator for second-order sensitivities is based on the Girsanov transform and it often suffers from high estimator variance. We develop a novel estimator for second-order sensitivities by first rigorously deriving an integral representation of these sensitivities. We call the resulting method the Double Bernoulli Path Algorithm and illustrate its efficiency through numerical examples.
title Unbiased estimation of second-order parameter sensitivities for stochastic reaction networks
topic Molecular Networks
Probability
url https://arxiv.org/abs/2410.11471