@article{39391,
  keywords = {Kinetics, molecular-dynamics, integration, geometric diffusions, harmonic-analysis, nonlinear dimensionality reduction, structure definition, free-energy, chemically reacting systems, simulation algorithm},
  author = {Radek Erban and Thomas Frewen and Xiao Wang and Timothy Elston and Ronald Coifman and Boaz Nadler and Ioannis Kevrekidis},
  title = {Variable-free exploration of stochastic models: A gene regulatory network example},
  abstract = { <p>Finding coarse-grained, low-dimensional descriptions is an important task in the analysis of complex, stochastic models of gene regulatory networks. This task involves (a) identifying observables that best describe the state of these complex systems and (b) characterizing the dynamics of the observables. In a previous paper [R. Erban , J. Chem. Phys. 124, 084106 (2006)] the authors assumed that good observables were known a priori, and presented an equation-free approach to approximate coarse-grained quantities (i.e., effective drift and diffusion coefficients) that characterize the long-time behavior of the observables. Here we use diffusion maps [R. Coifman , Proc. Natl. Acad. Sci. U.S.A. 102, 7426 (2005)] to extract appropriate observables ("reduction coordinates") in an automated fashion; these involve the leading eigenvectors of a weighted Laplacian on a graph constructed from network simulation data. We present lifting and restriction procedures for translating between physical variables and these data-based observables. These procedures allow us to perform equation-free, coarse-grained computations characterizing the long-term dynamics through the design and processing of short bursts of stochastic simulation initialized at appropriate values of the data-based observables. (c) 2007 American Institute of Physics.</p> },
  year = {2007},
  journal = {Journal of Chemical Physics},
  volume = {126},
  pages = {155103},
  month = {04/2007},
  isbn = {0021-9606},
  language = {English},
}