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Graph Neural Networks (GNNs), neural network architectures targeted to learning representations of graphs, have become a popular learning model for prediction tasks on nodes, graphs and configurations of points, with wide success in…

Deep learning has consistently defied state-of-the-art techniques in many fields over the last decade. However, we are just beginning to understand the capabilities of neural learning in symbolic domains. Deep learning architectures that…

Graph Neural Networks (GNNs) have become a standard approach for learning from graph-structured data. However, their reliance on parametric classifiers (most often linear softmax layers) limits interpretability and sometimes hinders…

Contrastive learning on graphs aims at extracting distinguishable high-level representations of nodes. In this paper, we theoretically illustrate that the entropy of a dataset can be approximated by maximizing the lower bound of the mutual…

In the brain, the structure of a network of neurons defines how these neurons implement the computations that underlie the mind and the behavior of animals and humans. Provided that we can describe the network of neurons as a graph, we can…

Graph Neural Networks (GNNs) are deep-learning architectures designed for graph-type data, where understanding relationships among individual observations is crucial. However, achieving promising GNN performance, especially on unseen data,…

Deep neural networks (DNNs) have achieved significant performance in various tasks. However, recent studies have shown that DNNs can be easily fooled by small perturbation on the input, called adversarial attacks. As the extensions of DNNs…

Graph structured data, specifically text-attributed graphs (TAG), effectively represent relationships among varied entities. Such graphs are essential for semi-supervised node classification tasks. Graph Neural Networks (GNNs) have emerged…

Graph neural networks trained to predict observable dynamics can be used to decompose the temporal activity of complex heterogeneous systems into simple, interpretable representations. Here we apply this framework to simulated neural…

Graph neural networks (GNNs) provide powerful insights for brain neuroimaging technology from the view of graphical networks. However, most existing GNN-based models assume that the neuroimaging-produced brain connectome network is a…

In proof assistants, the physical proximity between two formal mathematical concepts is a strong predictor of their mutual relevance. Furthermore, lemmas with close proximity regularly exhibit similar proof structures. We show that this…

Entity interaction prediction is essential in many important applications such as chemistry, biology, material science, and medical science. The problem becomes quite challenging when each entity is represented by a complex structure,…

Graph Neural Networks (GNNs) have achieved promising performance in semi-supervised node classification in recent years. However, the problem of insufficient supervision, together with representation collapse, largely limits the performance…

End-to-end training of graph neural networks (GNN) on large graphs presents several memory and computational challenges, and limits the application to shallow architectures as depth exponentially increases the memory and space complexities.…

Cascade prediction aims at modeling information diffusion in the network. Most previous methods concentrate on mining either structural or sequential features from the network and the propagation path. Recent efforts devoted to combining…

Graph Neural Networks (GNNs) has been widely used in a variety of fields because of their great potential in representing graph-structured data. However, lacking of rigorous uncertainty estimations limits their application in high-stakes.…

Relational Deep Learning (RDL) is an emerging paradigm that leverages Graph Neural Network principles to learn directly from relational databases by representing them as heterogeneous graphs. However, existing RDL models typically rely on…

Traditional computer vision approaches, based on neural networks (NN), are typically trained on a large amount of image data. By minimizing the cross-entropy loss between a prediction and a given class label, the NN and its visual embedding…

In this paper, we introduce a self-supervised learning method to enhance the graph-level representations with the help of a set of subgraphs. For this purpose, we propose a universal framework to generate subgraphs in an auto-regressive way…

Predicting events such as political protests, flu epidemics, and criminal activities is crucial to proactively taking necessary measures and implementing required responses to address emerging challenges. Capturing contextual information…