Paolo Giudici

Gavin Abercrombie, Djalel Benbouzid, Paolo Giudici et al.

This paper introduces a collaborative, human-centred taxonomy of AI, algorithmic and automation harms. We argue that existing taxonomies, while valuable, can be narrow, unclear, typically cater to practitioners and government, and often overlook the needs of the wider public. Drawing on existing taxonomies and a large repository of documented incidents, we propose a taxonomy that is clear and understandable to a broad set of audiences, as well as being flexible, extensible, and interoperable. Through iterative refinement with topic experts and crowdsourced annotation testing, we propose a taxonomy that can serve as a powerful tool for civil society organisations, educators, policymakers, product teams and the general public. By fostering a greater understanding of the real-world harms of AI and related technologies, we aim to increase understanding, empower NGOs and individuals to identify and report violations, inform policy discussions, and encourage responsible technology development and deployment.

Barbara Tarantino, Sun Kim, Yijingxiu Lu et al.

Deep learning models for drug--target interaction (DTI) prediction often achieve strong benchmark performance without necessarily relying on mechanistically meaningful molecular features, a limitation that standard accuracy-based evaluation cannot detect. We introduce ISAAC (Intervention-based Structural Auditing Approach for Causal Reasoning), a post-hoc framework that evaluates prior-relative structural sensitivity by probing frozen models through matched mechanistic and spurious input-level interventions, independently of predictive accuracy. Applied to three sequence-based DTI architectures on the Davis benchmark, ISAAC reveals approximately 25\% relative differences in reasoning scores across models with comparable AUROC (within around 3\%), stable across training and intervention seeds and two distinct perturbation operators. These discrepancies, undetectable under conventional accuracy metrics, motivate the use of post-hoc structural auditing as a complement to standard performance evaluation in scientific machine learning for molecular modeling.

Gennaro Auricchio, Giovanni Brigati, Paolo Giudici et al.

Selecting an appropriate divergence measure is a critical aspect of machine learning, as it directly impacts model performance. Among the most widely used, we find the Kullback-Leibler (KL) divergence, originally introduced in kinetic theory as a measure of relative entropy between probability distributions. Just as in machine learning, the ability to quantify the proximity of probability distributions plays a central role in kinetic theory. In this paper, we present a comparative review of divergence measures rooted in kinetic theory, highlighting their theoretical foundations and exploring their potential applications in machine learning and artificial intelligence.