Sampling-Based Batch Sequential Design by Stein Variational Gradient Descent

Abstract

Many real-world experimental design problems require a batch of experimental runs across stages, in which multiple points are selected and evaluated at each stage. However, most work in the design literature is focused on fully sequential (point-by-point) methods. This paper proposes a sampling-based framework to systematically convert a fully sequential method to a batch sequential method. In particular, Stein variational gradient descent (SVGD) is adapted to efficiently sample a batch of points from a properly constructed target distribution while balancing the individual utility and the batch diversity. We address challenges that arise in using SVGD for experimental designs, including constrained design regions and near-uniform target distributions. We apply the proposed method to obtain batch versions of the state-of-the-art fully sequential methods, and demonstrate their performance through extensive numerical studies.