arXiv subjects

Eyke Hüllermeier

Publications and source records attributed to Eyke Hüllermeier.

At least 55 records · Page 3Linked to original sources

arXiv2025

Co-Exploration and Co-Exploitation via Shared Structure in Multi-Task Bandits

We propose a novel Bayesian framework for efficient exploration in contextual multi-task multi-armed bandit settings, where the context is only observed partially and dependencies between reward distributions are induced by latent context variables. In order to exploit these structural dependencies, our approach integrates observations across all tasks and learns a global joint distribution, while still allowing personalised inference for new tasks. In this regard, we identify two key sources of epistemic uncertainty, namely structural uncertainty in the latent reward dependencies across arms and tasks, and user-specific uncertainty due to incomplete context and limited interaction history. To put our method into practice, we represent the joint distribution over tasks and rewards using a particle-based approximation of a log-density Gaussian process. This representation enables flexible, data-driven discovery of both inter-arm and inter-task dependencies without prior assumptions on the latent variables. Empirically, we demonstrate that our method outperforms baselines such as hierarchical model bandits, especially in settings with model misspecification or complex latent heterogeneity.

cs.LG↗

arXiv2025

Uncertainty Quantification for Machine Learning: One Size Does Not Fit All

Proper quantification of predictive uncertainty is essential for the use of machine learning in safety-critical applications. Various uncertainty measures have been proposed for this purpose, typically claiming superiority over other measures. In this paper, we argue that there is no single best measure. Instead, uncertainty quantification should be tailored to the specific application. To this end, we use a flexible family of uncertainty measures that distinguishes between total, aleatoric, and epistemic uncertainty of second-order distributions. These measures can be instantiated with specific loss functions, so-called proper scoring rules, to control their characteristics, and we show that different characteristics are useful for different tasks. In particular, we show that, for the task of selective prediction, the scoring rule should ideally match the task loss. On the other hand, for out-of-distribution detection, our results confirm that mutual information, a widely used measure of epistemic uncertainty, performs best. Furthermore, in an active learning setting, epistemic uncertainty based on zero-one loss is shown to consistently outperform other uncertainty measures.

cs.LG↗

arXiv2025

Explaining Similarity in Vision-Language Encoders with Weighted Banzhaf Interactions

Language-image pre-training (LIP) enables the development of vision-language models capable of zero-shot classification, localization, multimodal retrieval, and semantic understanding. Various explanation methods have been proposed to visualize the importance of input image-text pairs on the model's similarity outputs. However, popular saliency maps are limited by capturing only first-order attributions, overlooking the complex cross-modal interactions intrinsic to such encoders. We introduce faithful interaction explanations of LIP models (FIxLIP) as a unified approach to decomposing the similarity in vision-language encoders. FIxLIP is rooted in game theory, where we analyze how using the weighted Banzhaf interaction index offers greater flexibility and improves computational efficiency over the Shapley interaction quantification framework. From a practical perspective, we propose how to naturally extend explanation evaluation metrics, such as the pointing game and area between the insertion/deletion curves, to second-order interaction explanations. Experiments on the MS COCO and ImageNet-1k benchmarks validate that second-order methods, such as FIxLIP, outperform first-order attribution methods. Beyond delivering high-quality explanations, we demonstrate the utility of FIxLIP in comparing different models, e.g. CLIP vs. SigLIP-2.

cs.CV↗

arXiv2025

Fine-Grained Uncertainty Decomposition in Large Language Models: A Spectral Approach

As Large Language Models (LLMs) are increasingly integrated in diverse applications, obtaining reliable measures of their predictive uncertainty has become critically important. A precise distinction between aleatoric uncertainty, arising from inherent ambiguities within input data, and epistemic uncertainty, originating exclusively from model limitations, is essential to effectively address each uncertainty source. In this paper, we introduce Spectral Uncertainty, a novel approach to quantifying and decomposing uncertainties in LLMs. Leveraging the Von Neumann entropy from quantum information theory, Spectral Uncertainty provides a rigorous theoretical foundation for separating total uncertainty into distinct aleatoric and epistemic components. Unlike existing baseline methods, our approach incorporates a fine-grained representation of semantic similarity, enabling nuanced differentiation among various semantic interpretations in model responses. Empirical evaluations demonstrate that Spectral Uncertainty outperforms state-of-the-art methods in estimating both aleatoric and total uncertainty across diverse models and benchmark datasets.

cs.LG↗

arXiv2025

Efficient Online Learning with Predictive Coding Networks: Exploiting Temporal Correlations

Robotic systems operating at the edge require efficient online learning algorithms that can continuously adapt to changing environments while processing streaming sensory data. Traditional backpropagation, while effective, conflicts with biological plausibility principles and may be suboptimal for continuous adaptation scenarios. The Predictive Coding (PC) framework offers a biologically plausible alternative with local, Hebbian-like update rules, making it suitable for neuromorphic hardware implementation. However, PC's main limitation is its computational overhead due to multiple inference iterations during training. We present Predictive Coding Network with Temporal Amortization (PCN-TA), which preserves latent states across temporal frames. By leveraging temporal correlations, PCN-TA significantly reduces computational demands while maintaining learning performance. Our experiments on the COIL-20 robotic perception dataset demonstrate that PCN-TA achieves 10% fewer weight updates compared to backpropagation and requires 50% fewer inference steps than baseline PC networks. These efficiency gains directly translate to reduced computational overhead for moving another step toward edge deployment and real-time adaptation support in resource-constrained robotic systems. The biologically-inspired nature of our approach also makes it a promising candidate for future neuromorphic hardware implementations, enabling efficient online learning at the edge.

cs.LG↗

arXiv2025

Feedback Forensics: A Toolkit to Measure AI Personality

Some traits making a "good" AI model are hard to describe upfront. For example, should responses be more polite or more casual? Such traits are sometimes summarized as model character or personality. Without a clear objective, conventional benchmarks based on automatic validation struggle to measure such traits. Evaluation methods using human feedback such as Chatbot Arena have emerged as a popular alternative. These methods infer "better" personality and other desirable traits implicitly by ranking multiple model responses relative to each other. Recent issues with model releases highlight limitations of these existing opaque evaluation approaches: a major model was rolled back over sycophantic personality issues, models were observed overfitting to such feedback-based leaderboards. Despite these known issues, limited public tooling exists to explicitly evaluate model personality. We introduce Feedback Forensics: an open-source toolkit to track AI personality changes, both those encouraged by human (or AI) feedback, and those exhibited across AI models trained and evaluated on such feedback. Leveraging AI annotators, our toolkit enables investigating personality via Python API and browser app. We demonstrate the toolkit's usefulness in two steps: (A) first we analyse the personality traits encouraged in popular human feedback datasets including Chatbot Arena, MultiPref and PRISM; and (B) then use our toolkit to analyse how much popular models exhibit such traits. We release (1) our Feedback Forensics toolkit alongside (2) a web app tracking AI personality in popular models and feedback datasets as well as (3) the underlying annotation data at https://github.com/rdnfn/feedback-forensics.

cs.CL↗

arXiv2025

A calibration test for evaluating set-based epistemic uncertainty representations

The accurate representation of epistemic uncertainty is a challenging yet essential task in machine learning. A widely used representation corresponds to convex sets of probabilistic predictors, also known as credal sets. One popular way of constructing these credal sets is via ensembling or specialized supervised learning methods, where the epistemic uncertainty can be quantified through measures such as the set size or the disagreement among members. In principle, these sets should contain the true data-generating distribution. As a necessary condition for this validity, we adopt the strongest notion of calibration as a proxy. Concretely, we propose a novel statistical test to determine whether there is a convex combination of the set's predictions that is calibrated in distribution. In contrast to previous methods, our framework allows the convex combination to be instance dependent, recognizing that different ensemble members may be better calibrated in different regions of the input space. Moreover, we learn this combination via proper scoring rules, which inherently optimize for calibration. Building on differentiable, kernel-based estimators of calibration errors, we introduce a nonparametric testing procedure and demonstrate the benefits of capturing instance-level variability on of synthetic and real-world experiments.

cs.LG↗

arXiv2025

Antithetic Sampling for Top-k Shapley Identification

Additive feature explanations rely primarily on game-theoretic notions such as the Shapley value by viewing features as cooperating players. The Shapley value's popularity in and outside of explainable AI stems from its axiomatic uniqueness. However, its computational complexity severely limits practicability. Most works investigate the uniform approximation of all features' Shapley values, needlessly consuming samples for insignificant features. In contrast, identifying the $k$ most important features can already be sufficiently insightful and yields the potential to leverage algorithmic opportunities connected to the field of multi-armed bandits. We propose Comparable Marginal Contributions Sampling (CMCS), a method for the top-$k$ identification problem utilizing a new sampling scheme taking advantage of correlated observations. We conduct experiments to showcase the efficacy of our method in compared to competitive baselines. Our empirical findings reveal that estimation quality for the approximate-all problem does not necessarily transfer to top-$k$ identification and vice versa.

cs.LG↗

arXiv2025

X Hacking: The Threat of Misguided AutoML

Explainable AI (XAI) and interpretable machine learning methods help to build trust in model predictions and derived insights, yet also present a perverse incentive for analysts to manipulate XAI metrics to support pre-specified conclusions. This paper introduces the concept of X-hacking, a form of p-hacking applied to XAI metrics such as SHAP values. We show how easily an automated machine learning pipeline can be adapted to exploit model multiplicity at scale: searching a Rashomon set of 'defensible' models with similar predictive performance to find a desired explanation. We formulate the trade-off between explanation and accuracy as a multi-objective optimisation problem, and illustrate empirically on familiar real-world datasets that, on average, Bayesian optimisation accelerates X-hacking 3-fold for features susceptible to it, versus random sampling. We show the vulnerability of a dataset to X-hacking can be determined by information redundancy among features. Finally, we suggest possible methods for detection and prevention, and discuss ethical implications for the credibility and reproducibility of XAI.

cs.LG↗

arXiv2025

Investigating Co-Constructive Behavior of Large Language Models in Explanation Dialogues

The ability to generate explanations that are understood by explainees is the quintessence of explainable artificial intelligence. Since understanding depends on the explainee's background and needs, recent research focused on co-constructive explanation dialogues, where an explainer continuously monitors the explainee's understanding and adapts their explanations dynamically. We investigate the ability of large language models (LLMs) to engage as explainers in co-constructive explanation dialogues. In particular, we present a user study in which explainees interact with an LLM in two settings, one of which involves the LLM being instructed to explain a topic co-constructively. We evaluate the explainees' understanding before and after the dialogue, as well as their perception of the LLMs' co-constructive behavior. Our results suggest that LLMs show some co-constructive behaviors, such as asking verification questions, that foster the explainees' engagement and can improve understanding of a topic. However, their ability to effectively monitor the current understanding and scaffold the explanations accordingly remains limited.

cs.CL↗

arXiv2025

Aleatoric and Epistemic Uncertainty Measures for Ordinal Classification through Binary Reduction

Ordinal classification problems, where labels exhibit a natural order, are prevalent in high-stakes fields such as medicine and finance. Accurate uncertainty quantification, including the decomposition into aleatoric (inherent variability) and epistemic (lack of knowledge) components, is crucial for reliable decision-making. However, existing research has primarily focused on nominal classification and regression. In this paper, we introduce a novel class of measures of aleatoric and epistemic uncertainty in ordinal classification, which is based on a suitable reduction to (entropy- and variance-based) measures for the binary case. These measures effectively capture the trade-off in ordinal classification between exact hit-rate and minimial error distances. We demonstrate the effectiveness of our approach on various tabular ordinal benchmark datasets using ensembles of gradient-boosted trees and multi-layer perceptrons for approximate Bayesian inference. Our method significantly outperforms standard and label-wise entropy and variance-based measures in error detection, as indicated by misclassification rates and mean absolute error. Additionally, the ordinal measures show competitive performance in out-of-distribution (OOD) detection. Our findings highlight the importance of considering the ordinal nature of classification problems when assessing uncertainty.

cs.LG↗

arXiv2025

Problem Solving Through Human-AI Preference-Based Cooperation

While there is a widespread belief that artificial general intelligence (AGI) -- or even superhuman AI -- is imminent, complex problems in expert domains are far from being solved. We argue that such problems require human-AI cooperation and that the current state of the art in generative AI is unable to play the role of a reliable partner due to a multitude of shortcomings, including difficulty to keep track of a complex solution artifact (e.g., a software program), limited support for versatile human preference expression and lack of adapting to human preference in an interactive setting. To address these challenges, we propose HAICo2, a novel human-AI co-construction framework. We take first steps towards a formalization of HAICo2 and discuss the difficult open research problems that it faces.

cs.AI↗

arXiv2025

Uncertainty Quantification with Proper Scoring Rules: Adjusting Measures to Prediction Tasks

We address the problem of uncertainty quantification and propose measures of total, aleatoric, and epistemic uncertainty based on a known decomposition of (strictly) proper scoring rules, a specific type of loss function, into a divergence and an entropy component. This leads to a flexible framework for uncertainty quantification that can be instantiated with different losses (scoring rules), which makes it possible to tailor uncertainty quantification to the use case at hand. We show that this flexibility is indeed advantageous. In particular, we analyze the task of selective prediction and show that the scoring rule should ideally match the task loss. In addition, we perform experiments on two other common tasks. For out-of-distribution detection, our results confirm that a widely used measure of epistemic uncertainty, mutual information, performs best. Moreover, in the setting of active learning, our measure of epistemic uncertainty based on the zero-one-loss consistently outperforms other uncertainty measures.

cs.LG↗

arXiv2025

Inverse Constitutional AI: Compressing Preferences into Principles

Feedback data is widely used for fine-tuning and evaluating state-of-the-art AI models. Pairwise text preferences, where human or AI annotators select the "better" of two options, are particularly common. Such preferences are used to train (reward) models or to rank models with aggregate statistics. For many applications it is desirable to understand annotator preferences in addition to modelling them - not least because extensive prior work has shown various unintended biases in preference datasets. Yet, preference datasets remain challenging to interpret. Neither black-box reward models nor statistics can answer why one text is preferred over another. Manual interpretation of the numerous (long) response pairs is usually equally infeasible. In this paper, we introduce the Inverse Constitutional AI (ICAI) problem, formulating the interpretation of pairwise text preference data as a compression task. In constitutional AI, a set of principles (a constitution) is used to provide feedback and fine-tune AI models. ICAI inverts this process: given a feedback dataset, we aim to extract a constitution that best enables a large language model (LLM) to reconstruct the original annotations. We propose a corresponding ICAI algorithm and validate its generated constitutions quantitatively based on annotation reconstruction accuracy on several datasets: (a) synthetic feedback data with known principles; (b) AlpacaEval cross-annotated human feedback data; (c) crowdsourced Chatbot Arena data; and (d) PRISM data from diverse demographic groups. As a short and interpretable representation of the original dataset, generated constitutions have many potential use cases: help identify undesirable annotator biases, understand model performance better, scale feedback to unseen data, or adapt models to individual user or group preferences. We release the source code at https://github.com/rdnfn/icai.

cs.CL↗

arXiv2025

Conformal Prediction Regions are Imprecise Highest Density Regions

Recently, Cella and Martin proved how, under an assumption called consonance, a credal set (i.e. a closed and convex set of probabilities) can be derived from the conformal transducer associated with transductive conformal prediction. We show that the Imprecise Highest Density Region (IHDR) associated with such a credal set corresponds to the classical Conformal Prediction Region. In proving this result, we establish a new relationship between Conformal Prediction and Imprecise Probability (IP) theories, via the IP concept of a cloud. A byproduct of our presentation is the discovery that consonant plausibility functions are monoid homomorphisms, a new algebraic property of an IP tool.

stat.ML↗

arXiv2025

Unifying Feature-Based Explanations with Functional ANOVA and Cooperative Game Theory

Feature-based explanations, using perturbations or gradients, are a prevalent tool to understand decisions of black box machine learning models. Yet, differences between these methods still remain mostly unknown, which limits their applicability for practitioners. In this work, we introduce a unified framework for local and global feature-based explanations using two well-established concepts: functional ANOVA (fANOVA) from statistics, and the notion of value and interaction from cooperative game theory. We introduce three fANOVA decompositions that determine the influence of feature distributions, and use game-theoretic measures, such as the Shapley value and interactions, to specify the influence of higher-order interactions. Our framework combines these two dimensions to uncover similarities and differences between a wide range of explanation techniques for features and groups of features. We then empirically showcase the usefulness of our framework on synthetic and real-world datasets.

cs.LG↗

arXiv2025

Exact Computation of Any-Order Shapley Interactions for Graph Neural Networks

Albeit the ubiquitous use of Graph Neural Networks (GNNs) in machine learning (ML) prediction tasks involving graph-structured data, their interpretability remains challenging. In explainable artificial intelligence (XAI), the Shapley Value (SV) is the predominant method to quantify contributions of individual features to a ML model's output. Addressing the limitations of SVs in complex prediction models, Shapley Interactions (SIs) extend the SV to groups of features. In this work, we explain single graph predictions of GNNs with SIs that quantify node contributions and interactions among multiple nodes. By exploiting the GNN architecture, we show that the structure of interactions in node embeddings are preserved for graph prediction. As a result, the exponential complexity of SIs depends only on the receptive fields, i.e. the message-passing ranges determined by the connectivity of the graph and the number of convolutional layers. Based on our theoretical results, we introduce GraphSHAP-IQ, an efficient approach to compute any-order SIs exactly. GraphSHAP-IQ is applicable to popular message passing techniques in conjunction with a linear global pooling and output layer. We showcase that GraphSHAP-IQ substantially reduces the exponential complexity of computing exact SIs on multiple benchmark datasets. Beyond exact computation, we evaluate GraphSHAP-IQ's approximation of SIs on popular GNN architectures and compare with existing baselines. Lastly, we visualize SIs of real-world water distribution networks and molecule structures using a SI-Graph.

cs.LG↗

arXiv2025

Adaptive Prompting: Ad-hoc Prompt Composition for Social Bias Detection

Recent advances on instruction fine-tuning have led to the development of various prompting techniques for large language models, such as explicit reasoning steps. However, the success of techniques depends on various parameters, such as the task, language model, and context provided. Finding an effective prompt is, therefore, often a trial-and-error process. Most existing approaches to automatic prompting aim to optimize individual techniques instead of compositions of techniques and their dependence on the input. To fill this gap, we propose an adaptive prompting approach that predicts the optimal prompt composition ad-hoc for a given input. We apply our approach to social bias detection, a highly context-dependent task that requires semantic understanding. We evaluate it with three large language models on three datasets, comparing compositions to individual techniques and other baselines. The results underline the importance of finding an effective prompt composition. Our approach robustly ensures high detection performance, and is best in several settings. Moreover, first experiments on other tasks support its generalizability.

cs.CL↗