Quality-Weighted Vendi Scores And Their Application To Diverse Experimental Design

arXiv:2405.02449v1 Announce Type: cross
Abstract: Experimental design techniques such as active search and Bayesian optimization are widely used in the natural sciences for data collection and discovery. However, existing techniques tend to favor exploitation over exploration of the search space, which causes them to get stuck in local optima. This ``collapse" problem prevents experimental design algorithms from yielding diverse high-quality data. In this paper, we extend the Vendi scores -- a family of interpretable similarity-based diversity metrics -- to account …

abstract application arxiv bayesian collection cond-mat.mtrl-sci cs.lg data data collection design discovery diverse experimental exploitation exploration however natural optimization q-bio.bm quality search space stat.ml them type