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J Chem Phys ; 144(7): 074104, 2016 Feb 21.
Artigo em Inglês | MEDLINE | ID: mdl-26896973

RESUMO

In the presence of multiscale dynamics in a reaction network, direct simulation methods become inefficient as they can only advance the system on the smallest scale. This work presents stochastic averaging techniques to accelerate computations for obtaining estimates of expected values and sensitivities with respect to the steady state distribution. A two-time-scale formulation is used to establish bounds on the bias induced by the averaging method. Further, this formulation provides a framework to create an accelerated "averaged" version of most single-scale sensitivity estimation methods. In particular, we propose the use of a centered ergodic likelihood ratio method for steady state estimation and show how one can adapt it to accelerated simulations of multiscale systems. Finally, we develop an adaptive "batch-means" stopping rule for determining when to terminate the micro-equilibration process.

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