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Generalization Analysis of Message Passing Neural Networks on Large Random Graphs

Neural Information Processing Systems

Message passing neural networks (MPNN) have seen a steep rise in popularity since their introduction as generalizations of convolutional neural networks to graph structured data, and are now considered state-of-the-art tools for solving a large variety of graph-focused problems. We study the generalization error of MPNNs in graph classification and regression. We assume that graphs of different classes are sampled from different random graph models. We show that, when training a MPNN on a dataset sampled from such a distribution, the generalization gap increases in the complexity of the MPNN, and decreases, not only with respect to the number of training samples, but also with the average number of nodes in the graphs. This shows how a MPNN with high complexity can generalize from a small dataset of graphs, as long as the graphs are large. The generalization bound is derived from a uniform convergence result, that shows that any MPNN, applied on a graph, approximates the MPNN applied on the geometric model that the graph discretizes.



Efficiently Factorizing Boolean Matrices using Proximal Gradient Descent

Neural Information Processing Systems

Addressing the interpretability problem of NMF on Boolean data, Boolean Matrix Factorization (BMF) uses Boolean algebra to decompose the input into low-rank Boolean factor matrices. These matrices are highly interpretable and very useful in practice, but they come at the high computational cost of solving an NP-hard combinatorial optimization problem. To reduce the computational burden, we propose to relax BMF continuously using a novel elastic-binary regularizer, from which we derive a proximal gradient algorithm. Through an extensive set of experiments, we demonstrate that our method works well in practice: On synthetic data, we show that it converges quickly, recovers the ground truth precisely, and estimates the simulated rank exactly. On real-world data, we improve upon the state of the art in recall, loss, and runtime, and a case study from the medical domain confirms that our results are easily interpretable and semantically meaningful.


VAEL: Bridging Variational Autoencoders and Probabilistic Logic Programming

Neural Information Processing Systems

Besides standard latent subsymbolic variables, our model exploits a probabilistic logic program to define a further structured representation, which is used for logical reasoning. The entire process is end-to-end differentiable. Once trained, VAEL can solve new unseen generation tasks by (i) leveraging the previously acquired knowledge encoded in the neural component and (ii) exploiting new logical programs on the structured latent space. Our experiments provide support on the benefits of this neuro-symbolic integration both in terms of task generalization and data efficiency. To the best of our knowledge, this work is the first to propose a general-purpose end-to-end framework integrating probabilistic logic programming into a deep generative model.







Self-Supervised Learning Through Efference Copies

Neural Information Processing Systems

Self-supervised learning (SSL) methods aim to exploit the abundance of unlabelled data for machine learning (ML), however the underlying principles are often method-specific. An SSL framework derived from biological first principles of embodied learning could unify the various SSL methods, help elucidate learning in the brain, and possibly improve ML. SSL commonly transforms each training datapoint into a pair of views, uses the knowledge of this pairing as a positive (i.e.