Lena Krieger

Pernille Matthews, Lena Krieger, Tommaso Amico et al.

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.

Zhuo Cao, Lena Krieger, Hanno Scharr et al.

Galaxy morphologies play an essential role in the study of the evolution of galaxies. The determination of morphologies is laborious for a large amount of data giving rise to machine learning-based approaches. Unfortunately, most of these approaches offer no insight into how the model works and make the results difficult to understand and explain. We here propose to extend a classical encoder-decoder architecture with invertible flow, allowing us to not only obtain a good predictive performance but also provide additional information about the decision process with counterfactual explanations.

Tommaso Amico, Pernille Matthews, Lena Krieger et al.

Outlier detection identifies data points that significantly deviate from the majority of the data distribution. Explaining outliers is crucial for understanding the underlying factors that contribute to their detection, validating their significance, and identifying potential biases or errors. Effective explanations provide actionable insights, facilitating preventive measures to avoid similar outliers in the future. Counterfactual explanations clarify why specific data points are classified as outliers by identifying minimal changes required to alter their prediction. Although valuable, most existing counterfactual explanation methods overlook the unique challenges posed by outlier detection, and fail to target classical, widely adopted outlier detection algorithms. Local Outlier Factor (LOF) is one the most popular unsupervised outlier detection methods, quantifying outlierness through relative local density. Despite LOF's widespread use across diverse applications, it lacks interpretability. To address this limitation, we introduce Density-based Counterfactuals for Outliers (DCFO), a novel method specifically designed to generate counterfactual explanations for LOF. DCFO partitions the data space into regions where LOF behaves smoothly, enabling efficient gradient-based optimisation. Extensive experimental validation on 50 OpenML datasets demonstrates that DCFO consistently outperforms benchmarked competitors, offering superior proximity and validity of generated counterfactuals.

Zhuo Cao, Xuan Zhao, Lena Krieger et al.

The growing integration of machine learning (ML) and artificial intelligence (AI) models into high-stakes domains such as healthcare and scientific research calls for models that are not only accurate but also interpretable. Among the existing explainable methods, counterfactual explanations offer interpretability by identifying minimal changes to inputs that would alter a model's prediction, thus providing deeper insights. However, current counterfactual generation methods suffer from critical limitations, including gradient vanishing, discontinuous latent spaces, and an overreliance on the alignment between learned and true decision boundaries. To overcome these limitations, we propose LeapFactual, a novel counterfactual explanation algorithm based on conditional flow matching. LeapFactual generates reliable and informative counterfactuals, even when true and learned decision boundaries diverge. Following a model-agnostic approach, LeapFactual is not limited to models with differentiable loss functions. It can even handle human-in-the-loop systems, expanding the scope of counterfactual explanations to domains that require the participation of human annotators, such as citizen science. We provide extensive experiments on benchmark and real-world datasets showing that LeapFactual generates accurate and in-distribution counterfactual explanations that offer actionable insights. We observe, for instance, that our reliable counterfactual samples with labels aligning to ground truth can be beneficially used as new training data to enhance the model. The proposed method is broadly applicable and enhances both scientific knowledge discovery and non-expert interpretability.

Anna Beer, Lena Krieger, Pascal Weber et al.

In density-based clustering, clusters are areas of high object density separated by lower object density areas. This notion supports arbitrarily shaped clusters and automatic detection of noise points that do not belong to any cluster. However, it is challenging to adequately evaluate the quality of density-based clustering results. Even though some existing cluster validity indices (CVIs) target arbitrarily shaped clusters, none of them captures the quality of the labeled noise. In this paper, we propose DISCO, a Density-based Internal Score for Clustering Outcomes, which is the first CVI that also evaluates the quality of noise labels. DISCO reliably evaluates density-based clusters of arbitrary shape by assessing compactness and separation. It also introduces a direct assessment of noise labels for any given clustering. Our experiments show that DISCO evaluates density-based clusterings more consistently than its competitors. It is additionally the first method to evaluate the complete labeling of density-based clustering methods, including noise labels.