Learning Exceptional Subgroups by End-to-End Maximizing KL-divergence

Finding and describing sub-populations that are exceptional regarding a target property has important applications in many scientific disciplines, from identifying disadvantaged demographic groups in census data to finding conductive molecules within gold nanoparticles. Current approaches to finding such subgroups require pre-discretized predictive variables, do not permit non-trivial target distributions, do not scale to large datasets, and struggle to find diverse results. To address these limitations, we propose Syflow, an end-to-end optimizable approach in which we leverage normalizing flows to model arbitrary target distributions, and introduce a novel neural layer that results in easily interpretable subgroup descriptions. We demonstrate on synthetic and real-world data, including a case study, that Syflow reliably finds highly exceptional subgroups accompanied by insightful descriptions.

Efficiently Discovering Locally Exceptional yet Globally Representative Subgroups

Subgroup discovery is a local pattern mining technique to find interpretable descriptions of sub-populations that stand out on a given target variable. That is, these sub-populations are exceptional with regard to the global distribution. In this paper we argue that in many applications, such as scientific discovery, subgroups are only useful if they are additionally representative of the global distribution with regard to a control variable. That is, when the distribution of this control variable is the same, or almost the same, as over the whole data. We formalise this objective function and give an efficient algorithm to compute its tight optimistic estimator for the case of a numeric target and a binary control variable. This enables us to use the branch-and-bound framework to efficiently discover the top-$k$ subgroups that are both exceptional as well as representative. Experimental evaluation on a wide range of datasets shows that with this algorithm we discover meaningful representative patterns and are up to orders of magnitude faster in terms of node evaluations as well as time.