Veronica Guidetti

Nayara Fonseca, Veronica Guidetti, Will Trojak

A novel comparison is presented of the effect of optimiser choice on the accuracy of physics-informed neural networks (PINNs). To give insight into why some optimisers are better, a new approach is proposed that tracks the training trajectory curvature and can be evaluated on the fly at a low computational cost. The linear advection equation is studied for several advective velocities, and we show that the optimiser choice substantially impacts PINNs model performance and accuracy. Furthermore, using the curvature measure, we found a negative correlation between the convergence error and the curvature in the optimiser local reference frame. It is concluded that, in this case, larger local curvature values result in better solutions. Consequently, optimisation of PINNs is made more difficult as minima are in highly curved regions.

Mattia Billa, Giovanni Orlandi, Veronica Guidetti et al.

In recent years, Machine Learning (ML) has seen widespread adoption across a broad range of sectors, including high-stakes domains such as healthcare, finance, and law. This growing reliance has raised increasing concerns regarding model interpretability and accountability, particularly as legal and regulatory frameworks place tighter constraints on using black-box models in critical applications. Although interpretable ML has attracted substantial attention, systematic evaluations of inherently interpretable models, especially for tabular data, remain relatively scarce and often focus primarily on aggregated performance outcomes. To address this gap, we present a large-scale comparative evaluation of 16 inherently interpretable methods, ranging from classical linear models and decision trees to more recent approaches such as Explainable Boosting Machines (EBMs), Symbolic Regression (SR), and Generalized Optimal Sparse Decision Trees (GOSDT). Our study spans 216 real-world tabular datasets and goes beyond aggregate rankings by stratifying performance according to structural dataset characteristics, including dimensionality, sample size, linearity, and class imbalance. In addition, we assess training time and robustness under controlled distributional shifts. Our results reveal clear performance hierarchies, especially for regression tasks, where EBMs consistently achieve strong predictive accuracy. At the same time, we show that performance is highly context-dependent: SR and Interpretable Generalized Additive Neural Networks (IGANNs) perform particularly well in non-linear regimes, while GOSDT models exhibit pronounced sensitivity to class imbalance. Overall, these findings provide practical guidance for practitioners seeking a balance between interpretability and predictive performance, and contribute to a deeper empirical understanding of interpretable modeling for tabular data.

Luca Mariotti, Veronica Guidetti, Federica Mandreoli

The growing demand for efficient knowledge graph (KG) enrichment leveraging external corpora has intensified interest in relation extraction (RE), particularly under low-supervision settings. To address the need for adaptable and noise-resilient RE solutions that integrate seamlessly with pre-trained large language models (PLMs), we introduce SCoRE, a modular and cost-effective sentence-level RE system. SCoRE enables easy PLM switching, requires no finetuning, and adapts smoothly to diverse corpora and KGs. By combining supervised contrastive learning with a Bayesian k-Nearest Neighbors (kNN) classifier for multi-label classification, it delivers robust performance despite the noisy annotations of distantly supervised corpora. To improve RE evaluation, we propose two novel metrics: Correlation Structure Distance (CSD), measuring the alignment between learned relational patterns and KG structures, and Precision at R (P@R), assessing utility as a recommender system. We also release Wiki20d, a benchmark dataset replicating real-world RE conditions where only KG-derived annotations are available. Experiments on five benchmarks show that SCoRE matches or surpasses state-of-the-art methods while significantly reducing energy consumption. Further analyses reveal that increasing model complexity, as seen in prior work, degrades performance, highlighting the advantages of SCoRE's minimal design. Combining efficiency, modularity, and scalability, SCoRE stands as an optimal choice for real-world RE applications.

Nayara Fonseca, Veronica Guidetti

This work uncovers an interplay among data density, noise, and the generalization ability in similarity learning. We consider Siamese Neural Networks (SNNs), which are the basic form of contrastive learning, and explore two types of noise that can impact SNNs, Pair Label Noise (PLN) and Single Label Noise (SLN). Our investigation reveals that SNNs exhibit double descent behaviour regardless of the training setup and that it is further exacerbated by noise. We demonstrate that the density of data pairs is crucial for generalization. When SNNs are trained on sparse datasets with the same amount of PLN or SLN, they exhibit comparable generalization properties. However, when using dense datasets, PLN cases generalize worse than SLN ones in the overparametrized region, leading to a phenomenon we call Density-Induced Break of Similarity (DIBS). In this regime, PLN similarity violation becomes macroscopical, corrupting the dataset to the point where complete interpolation cannot be achieved, regardless of the number of model parameters. Our analysis also delves into the correspondence between online optimization and offline generalization in similarity learning. The results show that this equivalence fails in the presence of label noise in all the scenarios considered.

Veronica Guidetti, Francesco Muia, Yvette Welling et al.

Neural Networks (NNs) can be used to solve Ordinary and Partial Differential Equations (ODEs and PDEs) by redefining the question as an optimization problem. The objective function to be optimized is the sum of the squares of the PDE to be solved and of the initial/boundary conditions. A feed forward NN is trained to minimise this loss function evaluated on a set of collocation points sampled from the domain where the problem is defined. A compact and smooth solution, that only depends on the weights of the trained NN, is then obtained. This approach is often referred to as PINN, from Physics Informed Neural Network~\cite{raissi2017physics_1, raissi2017physics_2}. Despite the success of the PINN approach in solving various classes of PDEs, an implementation of this idea that is capable of solving a large class of ODEs and PDEs with good accuracy and without the need to finely tune the hyperparameters of the network, is not available yet. In this paper, we introduce a new implementation of this concept - called dNNsolve - that makes use of dual Neural Networks to solve ODEs/PDEs. These include: i) sine and sigmoidal activation functions, that provide a more efficient basis to capture both secular and periodic patterns in the solutions; ii) a newly designed architecture, that makes it easy for the the NN to approximate the solution using the basis functions mentioned above. We show that dNNsolve is capable of solving a broad range of ODEs/PDEs in 1, 2 and 3 spacetime dimensions, without the need of hyperparameter fine-tuning.