generalization limit
On the Readiness of Scientific Data for a Fair and Transparent Use in Machine Learning
Giner-Miguelez, Joan, Gómez, Abel, Cabot, Jordi
To ensure the fairness and trustworthiness of machine learning (ML) systems, recent legislative initiatives and relevant research in the ML community have pointed out the need to document the data used to train ML models. Besides, data-sharing practices in many scientific domains have evolved in recent years for reproducibility purposes. In this sense, the adoption of these practices by academic institutions has encouraged researchers to publish their data and technical documentation in peer-reviewed publications such as data papers. In this study, we analyze how this scientific data documentation meets the needs of the ML community and regulatory bodies for its use in ML technologies. We examine a sample of 4041 data papers of different domains, assessing their completeness and coverage of the requested dimensions, and trends in recent years, putting special emphasis on the most and least documented dimensions. As a result, we propose a set of recommendation guidelines for data creators and scientific data publishers to increase their data's preparedness for its transparent and fairer use in ML technologies.
Generalization Limits of Graph Neural Networks in Identity Effects Learning
D'Inverno, Giuseppe Alessio, Brugiapaglia, Simone, Ravanelli, Mirco
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.