A dimensionality reduction technique for unconstrained global optimization of functions with low effective dimensionality

We investigate the unconstrained global optimization of functions with low effective dimensionality, that are constant along certain (unknown) linear subspaces. Extending the technique of random subspace embeddings in [Wang et al., Bayesian optimization in a billion dimensions via random embeddings. JAIR, 55(1): 361--387, 2016], we study a generic Random Embeddings for Global Optimization (REGO) framework that is compatible with any global minimization algorithm. Instead of the original, potentially large-scale optimization problem, within REGO, a Gaussian random, low-dimensional problem with bound constraints is formulated and solved in a reduced space. We provide novel probabilistic bounds for the success of REGO in solving the original, low effective-dimensionality problem, which show its independence of the (potentially large) ambient dimension and its precise dependence on the dimensions of the effective and randomly embedding subspaces. These results significantly improve existing theoretical analyses by providing the exact distribution of a reduced minimizer and its Euclidean norm and by the general assumptions required on the problem. We validate our theoretical findings by extensive numerical testing of REGO with three types of global optimization solvers, illustrating the improved scalability of REGO compared to the full-dimensional application of the respective solvers.Comment: 32 pages, 10 figures, submitted to Information and Inference: a journal of the IMA, also submitted to optimization-online repositor

BOCK : Bayesian Optimization with Cylindrical Kernels

A major challenge in Bayesian Optimization is the boundary issue (Swersky, 2017) where an algorithm spends too many evaluations near the boundary of its search space. In this paper, we propose BOCK, Bayesian Optimization with Cylindrical Kernels, whose basic idea is to transform the ball geometry of the search space using a cylindrical transformation. Because of the transformed geometry, the Gaussian Process-based surrogate model spends less budget searching near the boundary, while concentrating its efforts relatively more near the center of the search region, where we expect the solution to be located. We evaluate BOCK extensively, showing that it is not only more accurate and efficient, but it also scales successfully to problems with a dimensionality as high as 500. We show that the better accuracy and scalability of BOCK even allows optimizing modestly sized neural network layers, as well as neural network hyperparameters.Comment: 10 pages, 5 figures, 5 tables, 1 algorith