Landscape-Sketch-Step: An AI/ML-Based Metaheuristic for Surrogate Optimization ProblemsIn this paper, we introduce a new heuristics for global optimization in
scenarios where extensive evaluations of the cost function are expensive,
inaccessible, or even prohibitive. The method, which we call
Landscape-Sketch-and-Step (LSS), combines Machine Learning, Stochastic
Optimization, and Reinforcement Learning techniques, relying on historical
information from previously sampled points to make judicious choices of
parameter values where the cost function should be evaluated at. Unlike
optimization by Replica Exchange Monte Carlo methods, the number of evaluations
of the cost function required in this approach is comparable to that used by
Simulated Annealing, quality that is especially important in contexts like
high-throughput computing or high-performance computing tasks, where
evaluations are either computationally expensive or take a long time to be
performed. The method also differs from standard Surrogate Optimization
techniques, for it does not construct a surrogate model that aims at
approximating or reconstructing the objective function. We illustrate our
method by applying it to low dimensional optimization problems (dimensions 1,
2, 4, and 8) that mimick known difficulties of minimization on rugged energy
landscapes often seen in Condensed Matter Physics, where cost functions are
rugged and plagued with local minima. When compared to classical Simulated
Annealing, the LSS shows an effective acceleration of the optimization process.
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