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math-ph2010★ 1 cited
Free energy computations by minimization of Kullback-Leibler divergence: an efficient adaptive biasing potential method for sparse representations
I. Bilionis, P. S. Koutsourelakis
The present paper proposes an adaptive biasing potential for the computation of free energy landscapes. It is motivated by statistical learning arguments and unifies the tasks of b…
stat.ML2010★ 2 cited
Scalable Bayesian reduced-order models for high-dimensional multiscale dynamical systems
P. S. Koutsourelakis, Elias Bilionis
While existing mathematical descriptions can accurately account for phenomena at microscopic scales (e.g. molecular dynamics), these are often high-dimensional, stochastic and thei…