ExDBSCAN: Explaining DBSCAN with Counterfactual Reasoning -- Additional Material
Authors: Pernille Matthews, Lena Krieger, Tommaso Amico, Artur Zimek, Thomas Seidl, Ira Assent
Abstract
Clustering is an unsupervised technique for grouping data points by similarity. While explainability methods exist for supervised machine learning, they are not directly applicable to clustering, making it challenging to understand cluster assignments. This interpretability gap is particularly evident in the popular density-based method DBSCAN, which assigns points as inliers (cluster members in dense regions) or outliers (noise points in sparse regions). DBSCAN does not provide insight into why a particular point receives its assignment or whether its assignment is robust to small changes in the data. To address the lack of explainability, we introduce ExDBSCAN, a density-aware, post-hoc explanation method. ExDBSCAN offers actionable counterfactual explanations, with theoretical guarantees for validity. It generates multiple counterfactuals using a density connected weighted graph, adopting a physics-inspired model that repels counterfactual candidates from one another (diversity), while pulling them toward the instance to explain (proximity). Empirical evaluation on 30 tabular datasets comparing against four baselines shows that ExDBSCAN outperforms all baselines while attaining perfect validity and retrieving diverse, proximal counterfactuals.
Counterfactual explanations provide local, interpretable insight by identifying changes to an input that would alter its assigned outcome. Although well established in supervised learning, their extension to clustering is less direct, since cluster assignments are unlabeled and governed by the geometry of the partition. This paper introduces VoICE, a Voronoi-Induced Counterfactual Explainability framework for feature-weighted k-means clustering. Rather than treating cluster change as a crossing of a single pairwise centroid boundary, VoICE formulates counterfactual generation as projection onto the full weighted Voronoi region of a target cluster, incorporating feature weights directly into both the clustering geometry and the counterfactual objective to yield least-cost and parsimonious explanations under actionability constraints. Target regions are further intersected with data-derived bounds and homothetically contracted towards their centroids, limiting extrapolation and boundary sensitivity. VoICE consistently produces valid target-cluster membership, across several benchmark datasets, where the leading pairwise baseline does not.
Node representation learning, such as Graph Neural Networks (GNNs), has emerged as a pivotal method in machine learning. The demand for reliable explanation generation surges, yet unsupervised models remain underexplored. To bridge this gap, we introduce a method for generating counterfactual (CF) explanations in unsupervised node representation learning. We identify the most important subgraphs that cause a significant change in the k-nearest neighbors of a node of interest in the learned embedding space upon perturbation. The k-nearest neighbor-based CF explanation method provides simple, yet pivotal, information for understanding unsupervised downstream tasks, such as top-k link prediction and clustering. Consequently, we introduce UNR-Explainer for generating expressive CF explanations for Unsupervised Node Representation learning methods based on a Monte Carlo Tree Search (MCTS). The proposed method demonstrates superior performance on diverse datasets for unsupervised GraphSAGE and DGI.
Interpreting clustering outcomes remains a fundamental challenge in data analysis, particularly in domains such as healthcare where meaningful patterns must be extracted from high-dimensional data. While numerous explainability techniques exist, they are primarily designed to assess feature importance or provide local instance-level explanations rather than to identify structured patterns present within clusters. This work presents a comparative evaluation of commonly used post-hoc analysis methods for pattern detection in clustering results. To enable controlled evaluation, we introduce a suite of synthetic datasets in which predefined patterns are systematically injected. Three widely used techniques are evaluated: a Random Forest surrogate model with permutation feature importance, LIME (Local Interpretable Model-agnostic Explanations), and principal component analysis. Results demonstrate that although each method can successfully recover relevant features, none consistently detects all injected pattern types. These findings high- light a critical gap between existing explainability tools and the requirements of pattern-level cluster interpretation, motivating the development of dedicated pattern detection methodologies.