arXiv subjects

Andrea Passerini

Publications and source records attributed to Andrea Passerini.

At least 55 records · Page 3Linked to original sources

arXiv2025

Community Aware Temporal Network Generation

The advantages of temporal networks in capturing complex dynamics, such as diffusion and contagion, has led to breakthroughs in real world systems across numerous fields. In the case of human behavior, face-to-face interaction networks enable us to understand the dynamics of how communities emerge and evolve in time through the interactions, which is crucial in fields like epidemics, sociological studies and urban science. However, state-of-the-art datasets suffer from a number of drawbacks, such as short time-span for data collection and a small number of participants. Moreover, concerns arise for the participants' privacy and the data collection costs. Over the past years, many successful algorithms for static networks generation have been proposed, but they often do not tackle the social structure of interactions or their temporal aspect. In this work, we extend a recent network generation approach to capture the evolution of interactions between different communities. Our method labels nodes based on their community affiliation and constructs surrogate networks that reflect the interactions of the original temporal networks between nodes with different labels. This enables the generation of synthetic networks that replicate realistic behaviors. We validate our approach by comparing structural measures between the original and generated networks across multiple face-to-face interaction datasets.

cs.SI↗

arXiv2025

Personalized Interpretability -- Interactive Alignment of Prototypical Parts Networks

Concept-based interpretable neural networks have gained significant attention due to their intuitive and easy-to-understand explanations based on case-based reasoning, such as "this bird looks like those sparrows". However, a major limitation is that these explanations may not always be comprehensible to users due to concept inconsistency, where multiple visual features are inappropriately mixed (e.g., a bird's head and wings treated as a single concept). This inconsistency breaks the alignment between model reasoning and human understanding. Furthermore, users have specific preferences for how concepts should look, yet current approaches provide no mechanism for incorporating their feedback. To address these issues, we introduce YoursProtoP, a novel interactive strategy that enables the personalization of prototypical parts - the visual concepts used by the model - according to user needs. By incorporating user supervision, YoursProtoP adapts and splits concepts used for both prediction and explanation to better match the user's preferences and understanding. Through experiments on both the synthetic FunnyBirds dataset and a real-world scenario using the CUB, CARS, and PETS datasets in a comprehensive user study, we demonstrate the effectiveness of YoursProtoP in achieving concept consistency without compromising the accuracy of the model.

cs.CV↗

arXiv2025

Simple Path Structural Encoding for Graph Transformers

Graph transformers extend global self-attention to graph-structured data, achieving notable success in graph learning. Recently, random walk structural encoding (RWSE) has been found to further enhance their predictive power by encoding both structural and positional information into the edge representation. However, RWSE cannot always distinguish between edges that belong to different local graph patterns, which reduces its ability to capture the full structural complexity of graphs. This work introduces Simple Path Structural Encoding (SPSE), a novel method that utilizes simple path counts for edge encoding. We show theoretically and experimentally that SPSE overcomes the limitations of RWSE, providing a richer representation of graph structures, particularly for capturing local cyclic patterns. To make SPSE computationally tractable, we propose an efficient approximate algorithm for simple path counting. SPSE demonstrates significant performance improvements over RWSE on various benchmarks, including molecular and long-range graph datasets, achieving statistically significant gains in discriminative tasks. These results pose SPSE as a powerful edge encoding alternative for enhancing the expressivity of graph transformers.

cs.LG↗

arXiv2025

Time Can Invalidate Algorithmic Recourse

Algorithmic Recourse (AR) aims to provide users with actionable steps to overturn unfavourable decisions made by machine learning predictors. However, these actions often take time to implement (e.g., getting a degree can take years), and their effects may vary as the world evolves. Thus, it is natural to ask for recourse that remains valid in a dynamic environment. In this paper, we study the robustness of algorithmic recourse over time by casting the problem through the lens of causality. We demonstrate theoretically and empirically that (even robust) causal AR methods can fail over time, except in the -- unlikely -- case that the world is stationary. Even more critically, unless the world is fully deterministic, counterfactual AR cannot be solved optimally. To account for this, we propose a simple yet effective algorithm for temporal AR that explicitly accounts for time under the assumption of having access to an estimator approximating the stochastic process. Our simulations on synthetic and realistic datasets show how considering time produces more resilient solutions to potential trends in the data distribution.

cs.LG↗

arXiv2025

If Concept Bottlenecks are the Question, are Foundation Models the Answer?

Concept Bottleneck Models (CBMs) are neural networks designed to conjoin high performance with ante-hoc interpretability. CBMs work by first mapping inputs (e.g., images) to high-level concepts (e.g., visible objects and their properties) and then use these to solve a downstream task (e.g., tagging or scoring an image) in an interpretable manner. Their performance and interpretability, however, hinge on the quality of the concepts they learn. The go-to strategy for ensuring good quality concepts is to leverage expert annotations, which are expensive to collect and seldom available in applications. Researchers have recently addressed this issue by introducing "VLM-CBM" architectures that replace manual annotations with weak supervision from foundation models. It is however unclear what is the impact of doing so on the quality of the learned concepts. To answer this question, we put state-of-the-art VLM-CBMs to the test, analyzing their learned concepts empirically using a selection of significant metrics. Our results show that, depending on the task, VLM supervision can sensibly differ from expert annotations, and that concept accuracy and quality are not strongly correlated. Our code is available at https://github.com/debryu/CQA.

cs.LG↗

arXiv2025

Rethinking and Recomputing the Value of Machine Learning Models

In this paper, we argue that the prevailing approach to training and evaluating machine learning models often fails to consider their real-world application within organizational or societal contexts, where they are intended to create beneficial value for people. We propose a shift in perspective, redefining model assessment and selection to emphasize integration into workflows that combine machine predictions with human expertise, particularly in scenarios requiring human intervention for low-confidence predictions. Traditional metrics like accuracy and f-score fail to capture the beneficial value of models in such hybrid settings. To address this, we introduce a simple yet theoretically sound "value" metric that incorporates task-specific costs for correct predictions, errors, and rejections, offering a practical framework for real-world evaluation. Through extensive experiments, we show that existing metrics fail to capture real-world needs, often leading to suboptimal choices in terms of value when used to rank classifiers. Furthermore, we emphasize the critical role of calibration in determining model value, showing that simple, well-calibrated models can often outperform more complex models that are challenging to calibrate.

cs.LG↗

arXiv2025

Reconsidering Faithfulness in Regular, Self-Explainable and Domain Invariant GNNs

As Graph Neural Networks (GNNs) become more pervasive, it becomes paramount to build reliable tools for explaining their predictions. A core desideratum is that explanations are \textit{faithful}, \ie that they portray an accurate picture of the GNN's reasoning process. However, a number of different faithfulness metrics exist, begging the question of what is faithfulness exactly and how to achieve it. We make three key contributions. We begin by showing that \textit{existing metrics are not interchangeable} -- \ie explanations attaining high faithfulness according to one metric may be unfaithful according to others -- and can systematically ignore important properties of explanations. We proceed to show that, surprisingly, \textit{optimizing for faithfulness is not always a sensible design goal}. Specifically, we prove that for injective regular GNN architectures, perfectly faithful explanations are completely uninformative. This does not apply to modular GNNs, such as self-explainable and domain-invariant architectures, prompting us to study the relationship between architectural choices and faithfulness. Finally, we show that \textit{faithfulness is tightly linked to out-of-distribution generalization}, in that simply ensuring that a GNN can correctly recognize the domain-invariant subgraph, as prescribed by the literature, does not guarantee that it is invariant unless this subgraph is also faithful.The code is publicly available on GitHub

cs.LG↗

arXiv2025

Boosting Relational Deep Learning with Pretrained Tabular Models

Relational databases, organized into tables connected by primary-foreign key relationships, are a common format for organizing data. Making predictions on relational data often involves transforming them into a flat tabular format through table joins and feature engineering, which serve as input to tabular methods. However, designing features that fully capture complex relational patterns remains challenging. Graph Neural Networks (GNNs) offer a compelling alternative by inherently modeling these relationships, but their time overhead during inference limits their applicability for real-time scenarios. In this work, we aim to bridge this gap by leveraging existing feature engineering efforts to enhance the efficiency of GNNs in relational databases. Specifically, we use GNNs to capture complex relationships within relational databases, patterns that are difficult to featurize, while employing engineered features to encode temporal information, thereby avoiding the need to retain the entire historical graph and enabling the use of smaller, more efficient graphs. Our \textsc{LightRDL} approach not only improves efficiency, but also outperforms existing models. Experimental results on the RelBench benchmark demonstrate that our framework achieves up to $33\%$ performance improvement and a $526\times$ inference speedup compared to GNNs, making it highly suitable for real-time inference.

cs.DB↗

arXiv2025

Noiser: Bounded Input Perturbations for Attributing Large Language Models

Feature attribution (FA) methods are common post-hoc approaches that explain how Large Language Models (LLMs) make predictions. Accordingly, generating faithful attributions that reflect the actual inner behavior of the model is crucial. In this paper, we introduce Noiser, a perturbation-based FA method that imposes bounded noise on each input embedding and measures the robustness of the model against partially noised input to obtain the input attributions. Additionally, we propose an answerability metric that employs an instructed judge model to assess the extent to which highly scored tokens suffice to recover the predicted output. Through a comprehensive evaluation across six LLMs and three tasks, we demonstrate that Noiser consistently outperforms existing gradient-based, attention-based, and perturbation-based FA methods in terms of both faithfulness and answerability, making it a robust and effective approach for explaining language model predictions.

cs.CL↗

arXiv2025

A Self-Explainable Heterogeneous GNN for Relational Deep Learning

Recently, significant attention has been given to the idea of viewing relational databases as heterogeneous graphs, enabling the application of graph neural network (GNN) technology for predictive tasks. However, existing GNN methods struggle with the complexity of the heterogeneous graphs induced by databases with numerous tables and relations. Traditional approaches either consider all possible relational meta-paths, thus failing to scale with the number of relations, or rely on domain experts to identify relevant meta-paths. A recent solution does manage to learn informative meta-paths without expert supervision, but assumes that a node's class depends solely on the existence of a meta-path occurrence. In this work, we present a self-explainable heterogeneous GNN for relational data, that supports models in which class membership depends on aggregate information obtained from multiple occurrences of a meta-path. Experimental results show that in the context of relational databases, our approach effectively identifies informative meta-paths that faithfully capture the model's reasoning mechanisms. It significantly outperforms existing methods in both synthetic and real-world scenario.

cs.LG↗

arXiv2024

ProtScan: Modeling and Prediction of RNA-Protein Interactions

CLIP-seq methods are valuable techniques to experimentally determine transcriptome-wide binding sites of RNA-binding proteins. Despite the constant improvement of such techniques (e.g. eCLIP), the results are affected by various types of noise and depend on experimental conditions such as cell line, tissue, gene expression levels, stress conditions etc., paving the way for the in silico modeling of RNA-protein interactions. Here we present ProtScan, a predictive tool based on consensus kernelized SGD regression. ProtScan denoises and generalizes the information contained in CLIP-seq experiments. It outperforms competitor state-of the-art methods and can be used to model RNA-protein interactions on a transcriptome-wide scale.

q-bio.BM↗

arXiv2024

xAI-Drop: Don't Use What You Cannot Explain

Graph Neural Networks (GNNs) have emerged as the predominant paradigm for learning from graph-structured data, offering a wide range of applications from social network analysis to bioinformatics. Despite their versatility, GNNs face challenges such as lack of generalization and poor interpretability, which hinder their wider adoption and reliability in critical applications. Dropping has emerged as an effective paradigm for improving the generalization capabilities of GNNs. However, existing approaches often rely on random or heuristic-based selection criteria, lacking a principled method to identify and exclude nodes that contribute to noise and over-complexity in the model. In this work, we argue that explainability should be a key indicator of a model's quality throughout its training phase. To this end, we introduce xAI-Drop, a novel topological-level dropping regularizer that leverages explainability to pinpoint noisy network elements to be excluded from the GNN propagation mechanism. An empirical evaluation on diverse real-world datasets demonstrates that our method outperforms current state-of-the-art dropping approaches in accuracy, and improves explanation quality.

cs.LG↗

arXiv2024

A Neuro-Symbolic Benchmark Suite for Concept Quality and Reasoning Shortcuts

The advent of powerful neural classifiers has increased interest in problems that require both learning and reasoning. These problems are critical for understanding important properties of models, such as trustworthiness, generalization, interpretability, and compliance to safety and structural constraints. However, recent research observed that tasks requiring both learning and reasoning on background knowledge often suffer from reasoning shortcuts (RSs): predictors can solve the downstream reasoning task without associating the correct concepts to the high-dimensional data. To address this issue, we introduce rsbench, a comprehensive benchmark suite designed to systematically evaluate the impact of RSs on models by providing easy access to highly customizable tasks affected by RSs. Furthermore, rsbench implements common metrics for evaluating concept quality and introduces novel formal verification procedures for assessing the presence of RSs in learning tasks. Using rsbench, we highlight that obtaining high quality concepts in both purely neural and neuro-symbolic models is a far-from-solved problem. rsbench is available at: https://unitn-sml.github.io/rsbench.

cs.LG↗

arXiv2024

Probabilistic ML Verification via Weighted Model Integration

In machine learning (ML) verification, the majority of procedures are non-quantitative and therefore cannot be used for verifying probabilistic models, or be applied in domains where hard guarantees are practically unachievable. The probabilistic formal verification (PFV) of ML models is in its infancy, with the existing approaches limited to specific ML models, properties, or both. This contrasts with standard formal methods techniques, whose successful adoption in real-world scenarios is also due to their support for a wide range of properties and diverse systems. We propose a unifying framework for the PFV of ML systems based on Weighted Model Integration (WMI), a relatively recent formalism for probabilistic inference with algebraic and logical constraints. Crucially, reducing the PFV of ML models to WMI enables the verification of many properties of interest over a wide range of systems, addressing multiple limitations of deterministic verification and ad-hoc algorithms. We substantiate the generality of the approach on prototypical tasks involving the verification of group fairness, monotonicity, robustness to noise, probabilistic local robustness and equivalence among predictors. We characterize the challenges related to the scalability of the approach and, through our WMI-based perspective, we show how successful scaling techniques in the ML verification literature can be generalized beyond their original scope.

cs.AI↗

arXiv2024

Unveiling LLMs: The Evolution of Latent Representations in a Dynamic Knowledge Graph

Large Language Models (LLMs) demonstrate an impressive capacity to recall a vast range of factual knowledge. However, understanding their underlying reasoning and internal mechanisms in exploiting this knowledge remains a key research area. This work unveils the factual information an LLM represents internally for sentence-level claim verification. We propose an end-to-end framework to decode factual knowledge embedded in token representations from a vector space to a set of ground predicates, showing its layer-wise evolution using a dynamic knowledge graph. Our framework employs activation patching, a vector-level technique that alters a token representation during inference, to extract encoded knowledge. Accordingly, we neither rely on training nor external models. Using factual and common-sense claims from two claim verification datasets, we showcase interpretability analyses at local and global levels. The local analysis highlights entity centrality in LLM reasoning, from claim-related information and multi-hop reasoning to representation errors causing erroneous evaluation. On the other hand, the global reveals trends in the underlying evolution, such as word-based knowledge evolving into claim-related facts. By interpreting semantics from LLM latent representations and enabling graph-related analyses, this work enhances the understanding of the factual knowledge resolution process.

cs.CL↗

arXiv2024

Explaining the Explainers in Graph Neural Networks: a Comparative Study

Following a fast initial breakthrough in graph based learning, Graph Neural Networks (GNNs) have reached a widespread application in many science and engineering fields, prompting the need for methods to understand their decision process. GNN explainers have started to emerge in recent years, with a multitude of methods both novel or adapted from other domains. To sort out this plethora of alternative approaches, several studies have benchmarked the performance of different explainers in terms of various explainability metrics. However, these earlier works make no attempts at providing insights into why different GNN architectures are more or less explainable, or which explainer should be preferred in a given setting. In this survey, we fill these gaps by devising a systematic experimental study, which tests ten explainers on eight representative architectures trained on six carefully designed graph and node classification datasets. With our results we provide key insights on the choice and applicability of GNN explainers, we isolate key components that make them usable and successful and provide recommendations on how to avoid common interpretation pitfalls. We conclude by highlighting open questions and directions of possible future research.

cs.LG↗

arXiv2024

Semantic Loss Functions for Neuro-Symbolic Structured Prediction

Structured output prediction problems are ubiquitous in machine learning. The prominent approach leverages neural networks as powerful feature extractors, otherwise assuming the independence of the outputs. These outputs, however, jointly encode an object, e.g. a path in a graph, and are therefore related through the structure underlying the output space. We discuss the semantic loss, which injects knowledge about such structure, defined symbolically, into training by minimizing the network's violation of such dependencies, steering the network towards predicting distributions satisfying the underlying structure. At the same time, it is agnostic to the arrangement of the symbols, and depends only on the semantics expressed thereby, while also enabling efficient end-to-end training and inference. We also discuss key improvements and applications of the semantic loss. One limitations of the semantic loss is that it does not exploit the association of every data point with certain features certifying its membership in a target class. We should therefore prefer minimum-entropy distributions over valid structures, which we obtain by additionally minimizing the neuro-symbolic entropy. We empirically demonstrate the benefits of this more refined formulation. Moreover, the semantic loss is designed to be modular and can be combined with both discriminative and generative neural models. This is illustrated by integrating it into generative adversarial networks, yielding constrained adversarial networks, a novel class of deep generative models able to efficiently synthesize complex objects obeying the structure of the underlying domain.

cs.LG↗

arXiv2024

Can LLMs Correct Physicians, Yet? Investigating Effective Interaction Methods in the Medical Domain

We explore the potential of Large Language Models (LLMs) to assist and potentially correct physicians in medical decision-making tasks. We evaluate several LLMs, including Meditron, Llama2, and Mistral, to analyze the ability of these models to interact effectively with physicians across different scenarios. We consider questions from PubMedQA and several tasks, ranging from binary (yes/no) responses to long answer generation, where the answer of the model is produced after an interaction with a physician. Our findings suggest that prompt design significantly influences the downstream accuracy of LLMs and that LLMs can provide valuable feedback to physicians, challenging incorrect diagnoses and contributing to more accurate decision-making. For example, when the physician is accurate 38% of the time, Mistral can produce the correct answer, improving accuracy up to 74% depending on the prompt being used, while Llama2 and Meditron models exhibit greater sensitivity to prompt choice. Our analysis also uncovers the challenges of ensuring that LLM-generated suggestions are pertinent and useful, emphasizing the need for further research in this area.

cs.CL↗