Stefano Fioravanti

Pietro Barbiero, Stefano Fioravanti, Francesco Giannini et al. · ibm-research

Explainable AI (XAI) aims to address the human need for safe and reliable AI systems. However, numerous surveys emphasize the absence of a sound mathematical formalization of key XAI notions -- remarkably including the term "explanation" which still lacks a precise definition. To bridge this gap, this paper presents the first mathematically rigorous definitions of key XAI notions and processes, using the well-funded formalism of Category theory. We show that our categorical framework allows to: (i) model existing learning schemes and architectures, (ii) formally define the term "explanation", (iii) establish a theoretical basis for XAI taxonomies, and (iv) analyze commonly overlooked aspects of explaining methods. As a consequence, our categorical framework promotes the ethical and secure deployment of AI technologies as it represents a significant step towards a sound theoretical foundation of explainable AI.

Michelangelo Diligenti, Francesco Giannini, Stefano Fioravanti et al.

Knowledge Graph Embeddings (KGE) have become a quite popular class of models specifically devised to deal with ontologies and graph structure data, as they can implicitly encode statistical dependencies between entities and relations in a latent space. KGE techniques are particularly effective for the biomedical domain, where it is quite common to deal with large knowledge graphs underlying complex interactions between biological and chemical objects. Recently in the literature, the PharmKG dataset has been proposed as one of the most challenging knowledge graph biomedical benchmark, with hundreds of thousands of relational facts between genes, diseases and chemicals. Despite KGEs can scale to very large relational domains, they generally fail at representing more complex relational dependencies between facts, like logic rules, which may be fundamental in complex experimental settings. In this paper, we exploit logic rules to enhance the embedding representations of KGEs on the PharmKG dataset. To this end, we adopt Relational Reasoning Network (R2N), a recently proposed neural-symbolic approach showing promising results on knowledge graph completion tasks. An R2N uses the available logic rules to build a neural architecture that reasons over KGE latent representations. In the experiments, we show that our approach is able to significantly improve the current state-of-the-art on the PharmKG dataset. Finally, we provide an ablation study to experimentally compare the effect of alternative sets of rules according to different selection criteria and varying the number of considered rules.

Stefano Fioravanti, Matteo Zavatteri, Roberto Confalonieri et al.

LLMs face significant challenges in systematic generalization, particularly when dealing with reasoning tasks requiring compositional rules and handling out-of-distribution examples. To address these challenges, we introduce an in-context learning methodology that improves the generalization capabilities of general purpose LLMs. Our approach employs an iterative example selection strategy, which incrementally constructs a tailored set of few-shot examples optimized to enhance model's performance on a given task. As a proof of concept, we apply this methodology to the resolution of algebraic expressions involving non-standard simplification rules, according to which the priority of addition and multiplication is changed. Our findings indicate that LLMs exhibit limited proficiency in these mathematical tasks. We further demonstrate that LLMs reasoning benefits from our iterative shot selection prompting strategy integrated with explicit reasoning instructions. Crucially, our experiments reveal that some LLMs achieve better generalization performances when prompted with simpler few-shot examples rather than complex ones following the test data distribution.

Stefano Fioravanti, Francesco Giannini, Paolo Frazzetto et al.

The most common methods in explainable artificial intelligence are post-hoc techniques which identify the most relevant features used by pretrained opaque models. Some of the most advanced post hoc methods can generate explanations that account for the mutual interactions of input features in the form of logic rules. However, these methods frequently fail to guarantee the consistency of the extracted explanations with the model's underlying reasoning. To bridge this gap, we propose a theoretically grounded approach to ensure coherence and fidelity of the extracted explanations, moving beyond the limitations of current heuristic-based approaches. To this end, drawing from category theory, we introduce an explaining functor which structurally preserves logical entailment between the explanation and the opaque model's reasoning. As a proof of concept, we validate the proposed theoretical constructions on a synthetic benchmark verifying how the proposed approach significantly mitigates the generation of contradictory or unfaithful explanations.

Francesco Giannini, Stefano Fioravanti, Oguzhan Keskin et al.

The rise of Artificial Intelligence (AI) recently empowered researchers to investigate hard mathematical problems which eluded traditional approaches for decades. Yet, the use of AI in Universal Algebra (UA) -- one of the fields laying the foundations of modern mathematics -- is still completely unexplored. This work proposes the first use of AI to investigate UA's conjectures with an equivalent equational and topological characterization. While topological representations would enable the analysis of such properties using graph neural networks, the limited transparency and brittle explainability of these models hinder their straightforward use to empirically validate existing conjectures or to formulate new ones. To bridge these gaps, we propose a general algorithm generating AI-ready datasets based on UA's conjectures, and introduce a novel neural layer to build fully interpretable graph networks. The results of our experiments demonstrate that interpretable graph networks: (i) enhance interpretability without sacrificing task accuracy, (ii) strongly generalize when predicting universal algebra's properties, (iii) generate simple explanations that empirically validate existing conjectures, and (iv) identify subgraphs suggesting the formulation of novel conjectures.