Bregman–Hausdorff Divergence: Strengthening the Connections Between Computational Geometry and Machine Learning

The purpose of this paper is twofold. On a technical side, we propose an extension of the Hausdorff distance from metric spaces to spaces equipped with asymmetric distance measures. Specifically, we focus on extending it to the family of Bregman divergences, which includes the popular Kullback–Leibler divergence (also known as relative entropy). The resulting dissimilarity measure is called a Bregman–Hausdorff divergence and compares two collections of vectors—without assuming any pairing or alignment between their elements. We propose new algorithms for computing Bregman–Hausdorff divergences based on a recently developed Kd-tree data structure for nearest neighbor search with respect to Bregman divergences. The algorithms are surprisingly efficient even for large inputs with hundreds of dimensions. As a benchmark, we use the new divergence to compare two collections of probabilistic predictions produced by different machine learning models trained using the relative entropy loss. In addition to the introduction of this technical concept, we provide a survey. It outlines the basics of Bregman geometry, and motivated the Kullback–Leibler divergence using concepts from information theory. We also describe computational geometric algorithms that have been extended to this geometry, focusing on algorithms relevant for machine learning.