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Lena Krieger

Publications and source records attributed to Lena Krieger.

8 recordsLinked to original sources

RECAST: Model Reconstruction via Counterfactual-Aware Wasserstein Geometry under Limited Data

Counterfactual explanations (CFs) help understand machine learning models by identifying minimal input changes that would lead to alternative model outcomes. Recent work demonstrates their utility for reconstructing black-box models, enabling third-party auditing of opaque decision systems for fairness and accountability. Still, CF-based reconstruction may suffer from decision boundary shifts, overfitting, and restrictive assumptions requiring online query access to target platforms. We propose REconstruction via Counterfactual-Aware waSserstein opTimization (RECAST) under limited data and restricted access, a behavioral surrogate model based on Wasserstein barycentric prototypes. Our approach addresses decision boundary shifts by incorporating CFs as informative, though less representative, samples for both classes, maintaining high surrogate fidelity in low-sample regimes without requiring online access during reconstruction. To enhance fairness auditing, our method enables systematic group fairness diagnostics. Experiments on real-world datasets and various setups show that RECAST effectively achieves high fidelity and query efficiency, as well as stable results even when the access is limited and noisy.

cs.LG

Residual-Space Evolutionary Optimization via Flow-based Generative Models

Data editing with generative methods typically requires differentiable objectives and gradient-based search. However, these assumptions break down in flow-based settings, where edits are performed through forward and backward integration and often involve non-differentiable or black-box objectives. We introduce residual-space evolutionary optimization, a model-agnostic framework that addresses this gap by combining flow-based generative editing with evolutionary algorithms. Building on the observation that conditional flow matching (CFM) can disentangle condition-controlled factors from instance-specific residuals, our framework directly operates in residual space and separates two complementary search regimes: self-pollination performs local exploitation through feature-preserving residual refinement, and cross-pollination promotes broader exploration by recombining residuals across heterogeneous samples. As a proof of concept, we validate on MorphoMNIST, a benchmark dataset for counterfactual generation, and on crystal data, demonstrating that this exploration--exploitation decomposition provides a useful mechanism for balancing target alignment, instance preservation, and diversity, and extends beyond images to real-world scientific domains.

cs.AI

Counterfactual Transport Flows for Offline Conservative Trajectory Refinement

Offline reinforcement learning (RL) offers a path to policy improvement from logged data alone, using historical returns or other measurable outcomes as world feedback. A key difficulty is improving observed behavior without extrapolating beyond what the offline data supports. We propose \emph{counterfactual transport flows}, a source-conditioned trajectory refinement framework for offline decision-making guided by world feedback. Given a low-feedback candidate trajectory, we construct local preference pairs from offline data by retrieving nearby trajectories in latent trajectory space with higher task-specific feedback, and use them as weak supervision for conservative refinement. The framework learns instance-specific refinement directions: at inference time, a refinement strength parameter controls how far the candidate trajectory is transported, enabling a trade-off between preserving the original behavior and applying stronger improvement. Experiments on D4RL benchmarks, including AntMaze and MuJoCo tasks, show that our method improves behavior from historical returns as world feedback, while providing interpretable trajectory-level refinement paths.

cs.LG

ExDBSCAN: Explaining DBSCAN with Counterfactual Reasoning -- Additional Material

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.

cs.LG

DCFO: Density-Based Counterfactuals for Outliers -- Additional Material

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.

cs.LG

LeapFactual: Reliable Visual Counterfactual Explanation Using Conditional Flow Matching

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.

cs.LG

Galaxy Morphology Classification with Counterfactual Explanation

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.

cs.LG

Internal Evaluation of Density-Based Clusterings with Noise

Being able to evaluate the quality of a clustering result even in the absence of ground truth cluster labels is fundamental for research in data mining. However, most cluster validation indices (CVIs) do not capture noise assignments by density-based clustering methods like DBSCAN or HDBSCAN, even though the ability to correctly determine noise is crucial for successful clustering. In this paper, we propose DISCO, a Density-based Internal Score for Clusterings with nOise, the first CVI to explicitly assess the quality of noise assignments rather than merely counting them. DISCO is based on the established idea of the Silhouette Coefficient, but adopts density-connectivity to evaluate clusters of arbitrary shapes, and proposes explicit noise evaluation: it rewards correctly assigned noise labels and penalizes noise labels where a cluster label would have been more appropriate. The pointwise definition of DISCO allows for the seamless integration of noise evaluation into the final clustering evaluation, while also enabling explainable evaluations of the clustered data. In contrast to most state-of-the-art, DISCO is well-defined and also covers edge cases that regularly appear as output from clustering algorithms, such as singleton clusters or a single cluster plus noise.

cs.LG