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.

Federico Maria Quetti, Elena Ballante, Silvia Figini et al.

A major limitation of clustering approaches is their lack of explainability: methods rarely provide insight into which features drive the grouping of similar observations. To address this limitation, we propose an ensemble-based clustering framework that integrates bagging and feature dropout to generate feature importance scores, in analogy with feature importance mechanisms in supervised random forests. By leveraging multiple bootstrap resampling schemes and aggregating the resulting partitions, the method improves stability and robustness of the cluster definition, particularly in small-sample or noisy settings. Feature importance is assessed through an information-theoretic approach: at each step, the mutual information between each feature and the estimated cluster labels is computed and weighted by a measure of clustering validity to emphasize well-formed partitions, before being aggregated into a final score. The method outputs both a consensus partition and a corresponding measure of feature importance, enabling a unified interpretation of clustering structure and variable relevance. Its effectiveness is demonstrated on multiple simulated and real-world datasets.

Barbara Tarantino, Gennaro Auricchio, Paolo Giudici

Deep learning models are increasingly used in scientific prediction tasks where strong benchmark performance is often interpreted as evidence of scientifically meaningful behavior. This interpretation is fragile, as models may exploit shortcut features, dataset-specific regularities, or distributional biases that are predictive on held-out data but not aligned with domain-relevant structure. To address this limitation, we introduce the \textsc{I-SAFE} (Interventional Secure, Accurate, Fair and Explainable) framework, a post-hoc distributional auditing framework for scientific AI models centered on the Wasserstein Coherence Metric (WCM). Given a trained black-box predictor and an external structural prior encoding domain knowledge about task-relevant input structure, \textsc{I-SAFE} evaluates raw model outputs under structurally guided perturbations of the input. The proposed audit measures output-distribution coherence through three complementary metrics: a Quantile-Based Metric (QBM) for location-level coherence, the WCM for ordinal coherence, and a translation-invariant WCM variant for shape coherence. We instantiate \textsc{I-SAFE} on drug--target interaction (DTI) prediction using the Davis kinase benchmark, KLIFS (Kinase--Ligand Interaction Fingerprints and Structures) binding-pocket annotations, and three sequence-based DTI models: DeepConvDTI, DeepDTA, and TAPB. Although the models operate in a comparable predictive regime, \textsc{I-SAFE} reveals substantially different distributional response profiles, a distinction invisible to accuracy-based evaluation. The framework is model-agnostic and applicable to any domain where inputs admit a structured decomposition and an external prior is available.

Ying Chen, Paolo Giudici, Vasily Kolesnikov et al.

We propose a variational quantum classifier operating on high dimensional deep representations via amplitude encoding, stabilized by a learnable classical pre encoding layer.By combining normalized amplitude embeddings with bounded quantum observables, the resulting model induces a structured and smooth hypothesis class with controlled sensitivity to input variations. Model reliability is assessed using SAFE-AI metrics derived from the Cramer von Mises divergence, enabling consistent evaluation across accuracy, robustness, and explainability dimensions. Empirical results show that the proposed quantum model provides competitive predictive performance compared with strong classical baselines while exhibiting a more balanced SAFE reliability profile, with improved robustness to noise and stability under structured feature removal. These findings suggest that variational quantum circuits offer a principled mechanism for stability oriented SAFE learning in safety critical settings.

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.

Jingyi Wang, Ying Chen, Paolo Giudici

We propose Group Shapley, a metric that extends the classical individual-level Shapley value framework to evaluate the importance of feature groups, addressing the structured nature of predictors commonly found in business and economic data. More importantly, we develop a significance testing procedure based on a three-cumulant chi-square approximation and establish the asymptotic properties of the test statistics for Group Shapley values. Our approach can effectively handle challenging scenarios, including sparse or skewed distributions and small sample sizes, outperforming alternative tests such as the Wald test. Simulations confirm that the proposed test maintains robust empirical size and demonstrates enhanced power under diverse conditions. To illustrate the method's practical relevance in advancing Explainable AI, we apply our framework to bond recovery rate predictions using a global dataset (1996-2023) comprising 2,094 observations and 98 features, grouped into 16 subgroups and five broader categories: bond characteristics, firm fundamentals, industry-specific factors, market-related variables, and macroeconomic indicators. Our results identify the market-related variables group as the most influential. Furthermore, Lorenz curves and Gini indices reveal that Group Shapley assigns feature importance more equitably compared to individual Shapley values.

Sofia Vei, Paolo Giudici, Pavlos Sermpezis et al.

The absolute dominance of Artificial Intelligence (AI) introduces unprecedented societal harms and risks. Existing AI risk assessment models focus on internal compliance, often neglecting diverse stakeholder perspectives and real-world consequences. We propose a paradigm shift to a human-centric, harm-severity adaptive approach grounded in empirical incident data. We present AI Harmonics, which includes a novel AI harm assessment metric (AIH) that leverages ordinal severity data to capture relative impact without requiring precise numerical estimates. AI Harmonics combines a robust, generalized methodology with a data-driven, stakeholder-aware framework for exploring and prioritizing AI harms. Experiments on annotated incident data confirm that political and physical harms exhibit the highest concentration and thus warrant urgent mitigation: political harms erode public trust, while physical harms pose serious, even life-threatening risks, underscoring the real-world relevance of our approach. Finally, we demonstrate that AI Harmonics consistently identifies uneven harm distributions, enabling policymakers and organizations to target their mitigation efforts effectively.

Antonino Castelli, Paolo Giudici, Alessandro Piergallini

The rapid growth of crypto markets has opened new opportunities for investors, but at the same time exposed them to high volatility. To address the challenge of managing dynamic portfolios in such an environment, this paper presents a practical application of a multi-agent system designed to autonomously construct and evaluate crypto-asset allocations. Using data on daily frequencies of the ten most capitalized cryptocurrencies from 2020 to 2025, we compare two automated investment strategies. These are a static equal weighting strategy and a rolling-window optimization strategy, both implemented to maximize the evaluation metrics of the Modern Portfolio Theory (MPT), such as Expected Return, Sharpe and Sortino ratios, while minimizing volatility. Each step of the process is handled by dedicated agents, integrated through a collaborative architecture in Crew AI. The results show that the dynamic optimization strategy achieves significantly better performance in terms of risk-adjusted returns, both in-sample and out-of-sample. This highlights the benefits of adaptive techniques in portfolio management, particularly in volatile markets such as cryptocurrency markets. The following methodology proposed also demonstrates how multi-agent systems can provide scalable, auditable, and flexible solutions in financial automation.