The popularity of Bayesian optimization methods for efficient exploration of
parameter spaces has lead to a series of papers applying Gaussian processes as
surrogates in the optimization of functions. However, most proposed approaches
only allow the exploration of the parameter space to occur sequentially. Often,
it is desirable to simultaneously propose batches of parameter values to
explore. This is particularly the case when large parallel processing
facilities are available. These facilities could be computational or physical
facets of the process being optimized. E.g. in biological experiments many
experimental set ups allow several samples to be simultaneously processed.
Batch methods, however, require modeling of the interaction between the
evaluations in the batch, which can be expensive in complex scenarios. We
investigate a simple heuristic based on an estimate of the Lipschitz constant
that captures the most important aspect of this interaction (i.e. local
repulsion) at negligible computational overhead. The resulting algorithm
compares well, in running time, with much more elaborate alternatives. The
approach assumes that the function of interest, f, is a Lipschitz continuous
function. A wrap-loop around the acquisition function is used to collect
batches of points of certain size minimizing the non-parallelizable
computational effort. The speed-up of our method with respect to previous
approaches is significant in a set of computationally expensive experiments.Comment: 11 pages, 10 figure
