Giuseppe Alessio D'Inverno

Sara Nour Sadoun, Giuseppe Alessio D'Inverno, Francois Cottin et al.

Learning-based and physics-informed methods are increasingly used for inverse estimation in controlled nonlinear dynamical systems. However, in many such approaches, the theoretic requirements that make unknown-input reconstruction meaningful, namely well-posedness in the sense of Hadamard, are often disregarded or weakly addressed through generic regularization terms with no explicit guarantees. In this work, we adopt a complementary viewpoint in which these control-theoretic and structural conditions inform the estimator design and constrain its training. We thus develop a physics-informed input-state neural estimator for joint unknown-input and state estimation in nonlinear controlled systems with partial measurements. In the present work, this general framework is instantiated on a model of autonomic cardiac regulation, provides a concrete study case. The estimator is formulated as an inverse neural map conditioned on time and measured outputs, and is trained under data fidelity and dynamical consistency constraints. To ensure it complies with the same structural requirements imposed in robust estimation, we derive left-invertibility conditions by differential-algebraic elimination and embed the resulting constraints directly into the training objective. We further analyze a priori the stability of the inverse mapping to output perturbations and derive a conservative Lipschitz bound that guides the tuning of cost functional hyper-parameters. The framework is evaluated on simulated data, where ground truth data is available, and on two distinct datasets of real cardiovascular recordings. The results show that incorporating control-theoretic solvability constraints into physics-informed learning improves the reliability of inverse inference beyond forward consistency alone.

Silvia Beddar-Wiesing, Giuseppe Alessio D'Inverno, Caterina Graziani et al.

Graph Neural Networks (GNNs) are a large class of relational models for graph processing. Recent theoretical studies on the expressive power of GNNs have focused on two issues. On the one hand, it has been proven that GNNs are as powerful as the Weisfeiler-Lehman test (1-WL) in their ability to distinguish graphs. Moreover, it has been shown that the equivalence enforced by 1-WL equals unfolding equivalence. On the other hand, GNNs turned out to be universal approximators on graphs modulo the constraints enforced by 1-WL/unfolding equivalence. However, these results only apply to Static Attributed Undirected Homogeneous Graphs (SAUHG) with node attributes. In contrast, real-life applications often involve a much larger variety of graph types. In this paper, we conduct a theoretical analysis of the expressive power of GNNs for two other graph domains that are particularly interesting in practical applications, namely dynamic graphs and SAUGHs with edge attributes. Dynamic graphs are widely used in modern applications; hence, the study of the expressive capability of GNNs in this domain is essential for practical reasons and, in addition, it requires a new analyzing approach due to the difference in the architecture of dynamic GNNs compared to static ones. On the other hand, the examination of SAUHGs is of particular relevance since they act as a standard form for all graph types: it has been shown that all graph types can be transformed without loss of information to SAUHGs with both attributes on nodes and edges. This paper considers generic GNN models and appropriate 1-WL tests for those domains. Then, the known results on the expressive power of GNNs are extended to the mentioned domains: it is proven that GNNs have the same capability as the 1-WL test, the 1-WL equivalence equals unfolding equivalence and that GNNs are universal approximators modulo 1-WL/unfolding equivalence.

Giuseppe Alessio D'Inverno, Simone Brugiapaglia, Mirco Ravanelli

Graph Neural Networks (GNNs) have emerged as a powerful tool for data-driven learning on various graph domains. They are usually based on a message-passing mechanism and have gained increasing popularity for their intuitive formulation, which is closely linked to the Weisfeiler-Lehman (WL) test for graph isomorphism to which they have been proven equivalent in terms of expressive power. In this work, we establish new generalization properties and fundamental limits of GNNs in the context of learning so-called identity effects, i.e., the task of determining whether an object is composed of two identical components or not. Our study is motivated by the need to understand the capabilities of GNNs when performing simple cognitive tasks, with potential applications in computational linguistics and chemistry. We analyze two case studies: (i) two-letters words, for which we show that GNNs trained via stochastic gradient descent are unable to generalize to unseen letters when utilizing orthogonal encodings like one-hot representations; (ii) dicyclic graphs, i.e., graphs composed of two cycles, for which we present positive existence results leveraging the connection between GNNs and the WL test. Our theoretical analysis is supported by an extensive numerical study.

Gabriel Masella, Giuseppe Alessio D'Inverno, Max Goldsmith et al.

The process of decision-making in football is characterized by a complex interplay between spatial positioning, opponent pressure, and player intent. This work introduces a Graph Neural Network (GNN) framework designed to predict Receiver Selection, the optimal passing target, by modeling on-field interactions as dynamic graphs. Each player is represented as a node with positional and contextual features, while potential passing lines form weighted edges characterized by distance, angle, and pressure metrics. A Message-Passing Neural Network (MPNN) has been developed and trained using a combination of tracking data and event data from professional matches, synchronized through a robust pipeline based on an optimized version of the Needleman-Wunsch Algorithm. The model achieves competitive accuracy in identifying the actual chosen receiver and state-of-the-art accuracy within its top three suggestions. Our model further offers quantification of each option's likelihood, threat, and creativity, enabling performance analysts to evaluate over 1,000 passes in seconds.

Giuseppe Alessio D'Inverno, Monica Bianchini, Franco Scarselli

Graph Neural Networks (GNNs) have emerged in recent years as a powerful tool to learn tasks across a wide range of graph domains in a data-driven fashion; based on a message passing mechanism, GNNs have gained increasing popularity due to their intuitive formulation, closely linked with the Weisfeiler-Lehman (WL) test for graph isomorphism, to which they have proven equivalent. From a theoretical point of view, GNNs have been shown to be universal approximators, and their generalization capability (namely, bounds on the Vapnik Chervonekis (VC) dimension) has recently been investigated for GNNs with piecewise polynomial activation functions. The aim of our work is to extend this analysis on the VC dimension of GNNs to other commonly used activation functions, such as sigmoid and hyperbolic tangent, using the framework of Pfaffian function theory. Bounds are provided with respect to architecture parameters (depth, number of neurons, input size) as well as with respect to the number of colors resulting from the 1-WL test applied on the graph domain. The theoretical analysis is supported by a preliminary experimental study.

Maria Sofia Bucarelli, Giuseppe Alessio D'Inverno, Monica Bianchini et al.

In the context of deep learning models, attention has recently been paid to studying the surface of the loss function in order to better understand training with methods based on gradient descent. This search for an appropriate description, both analytical and topological, has led to numerous efforts to identify spurious minima and characterize gradient dynamics. Our work aims to contribute to this field by providing a topological measure to evaluate loss complexity in the case of multilayer neural networks. We compare deep and shallow architectures with common sigmoidal activation functions by deriving upper and lower bounds on the complexity of their loss function and revealing how that complexity is influenced by the number of hidden units, training models, and the activation function used. Additionally, we found that certain variations in the loss function or model architecture, such as adding an $\ell_2$ regularization term or implementing skip connections in a feedforward network, do not affect loss topology in specific cases.

Luca Zhou, Daniele Solombrino, Donato Crisostomi et al.

Task arithmetic has emerged as a simple yet powerful technique for model merging, enabling the combination of multiple finetuned models into one. Despite its empirical success, a clear theoretical explanation of why and when it works is lacking. This paper provides a rigorous theoretical foundation for task arithmetic by establishing a connection between task vectors and gradients of the task losses. We show that under standard gradient descent, a task vector generated from one epoch of finetuning is exactly equivalent to the negative gradient of the loss, scaled by the learning rate. For the practical multi-epoch setting, we prove that this equivalence holds approximately, with a second-order error term that we explicitly bound for feed-forward networks. Our empirical analysis across seven vision benchmarks corroborates our theory, demonstrating that the first-epoch gradient dominates the finetuning trajectory in both norm and direction. A key implication is that merging models finetuned for only a single epoch often yields performance comparable to merging fully converged models. These findings reframe task arithmetic as a form of approximate multitask learning, providing a clear rationale for its effectiveness and highlighting the critical role of early training dynamics in model merging.

Giuseppe Alessio D'Inverno, Zhiyuan Hu, Leo Davy et al.

Information propagation characterizes how input correlations evolve across layers in deep neural networks. This framework has been well studied using mean-field theory, which assumes infinitely wide networks. However, these assumptions break down for practical, finite-size networks. In this work, we study information propagation in randomly initialized neural networks with finite width and reveal that the boundary between ordered and chaotic regimes exhibits a fractal structure. This shows the fundamental complexity of neural network dynamics, in a setting that is independent of input data and optimization. To extend this analysis beyond multilayer perceptrons, we leverage recently introduced Fourier-based structured transforms, and show that information propagation in convolutional neural networks also follow the same behavior. Our investigation highlights the importance of finite network depth with respect to the tradeoff between separation and robustness.

Aurora Poggi, Giuseppe Alessio D'Inverno, Hjalmar Brismar et al.

Data-driven discovery of dynamics in biological systems allows for better observation and characterization of processes, such as calcium signaling in cell culture. Recent advancements in techniques allow the exploration of previously unattainable insights of dynamical systems, such as the Sparse Identification of Non-Linear Dynamics (SINDy), overcoming the limitations of more classic methodologies. The latter requires some prior knowledge of an effective library of candidate terms, which is not realistic for a real case study. Using inspiration from fields like traffic density estimation and control theory, we propose a methodology for characterization and performance analysis of calcium delivery in a family of cells. In this work, we compare the performance of the Constrained Regularized Least-Squares Method (CRLSM) and Physics-Informed Neural Networks (PINN) for system identification and parameter discovery for governing ordinary differential equations (ODEs). The CRLSM achieves a fairly good parameter estimate and a good data fit when using the learned parameters in the Consensus problem. On the other hand, despite the initial hypothesis, PINNs fail to match the CRLSM performance and, under the current configuration, do not provide fair parameter estimation. However, we have only studied a limited number of PINN architectures, and it is expected that additional hyperparameter tuning, as well as uncertainty quantification, could significantly improve the performance in future works.

Giuseppe Alessio D'Inverno, Kylian Ajavon, Simone Brugiapaglia

Diffusion kernels over graphs have been widely utilized as effective tools in various applications due to their ability to accurately model the flow of information through nodes and edges. However, there is a notable gap in the literature regarding the development of surrogate models for diffusion processes on graphs. In this work, we fill this gap by proposing sparse polynomial-based surrogate models for parametric diffusion equations on graphs with community structure. In tandem, we provide convergence guarantees for both least squares and compressed sensing-based approximations by showing the holomorphic regularity of parametric solutions to these diffusion equations. Our theoretical findings are accompanied by a series of numerical experiments conducted on both synthetic and real-world graphs that demonstrate the applicability of our methodology.

Giuseppe Alessio D'Inverno, Jonathan Dong

Reservoir Computing (RC) has become popular in recent years thanks to its fast and efficient computational capabilities. Standard RC has been shown to be equivalent in the asymptotic limit to Recurrent Kernels, which helps in analyzing its expressive power. However, many well-established RC paradigms, such as Leaky RC, Sparse RC, and Deep RC, are yet to be systematically analyzed in such a way. We define the Recurrent Kernel limit of all these RC topologies and conduct a convergence study for a wide range of activation functions and hyperparameters. Our findings provide new insights into various aspects of Reservoir Computing. First, we demonstrate that there is an optimal sparsity level which grows with the reservoir size. Furthermore, our analysis suggests that Deep RC should use reservoir layers of decreasing sizes. Finally, we perform a benchmark demonstrating the efficiency of Structured Reservoir Computing compared to vanilla and Sparse Reservoir Computing.

Giuseppe Alessio D'Inverno, Monica Bianchini, Maria Lucia Sampoli et al.

Graph Neural Networks (GNNs) are a broad class of connectionist models for graph processing. Recent studies have shown that GNNs can approximate any function on graphs, modulo the equivalence relation on graphs defined by the Weisfeiler--Lehman (WL) test. However, these results suffer from some limitations, both because they were derived using the Stone--Weierstrass theorem -- which is existential in nature, -- and because they assume that the target function to be approximated must be continuous. Furthermore, all current results are dedicated to graph classification/regression tasks, where the GNN must produce a single output for the whole graph, while also node classification/regression problems, in which an output is returned for each node, are very common. In this paper, we propose an alternative way to demonstrate the approximation capability of GNNs that overcomes these limitations. Indeed, we show that GNNs are universal approximators in probability for node classification/regression tasks, as they can approximate any measurable function that satisfies the 1--WL equivalence on nodes. The proposed theoretical framework allows the approximation of generic discontinuous target functions and also suggests the GNN architecture that can reach a desired approximation. In addition, we provide a bound on the number of the GNN layers required to achieve the desired degree of approximation, namely $2r-1$, where $r$ is the maximum number of nodes for the graphs in the domain.