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Graph neural networks (GNNs) have exhibited state-of-the-art performance across wide-range of domains such as recommender systems, material design, and drug repurposing. Yet message-passing GNNs suffer from over-squashing -- exponential…

Graph convolutional neural networks (GCNNs) have received much attention recently, owing to their capability in handling graph-structured data. Among the existing GCNNs, many methods can be viewed as instances of a neural message passing…

Sheaf Neural Networks (SNNs) were introduced as an extension of Graph Convolutional Networks to address oversmoothing on heterophilous graphs by attaching a sheaf to the input graph and replacing the adjacency-based operator with a sheaf…

Despite much research, Graph Neural Networks (GNNs) still do not display the favorable scaling properties of other deep neural networks such as Convolutional Neural Networks and Transformers. Previous work has identified issues such as…

In recent years, there has been a significant amount of research focused on expanding the expressivity of Graph Neural Networks (GNNs) beyond the Weisfeiler-Lehman (1-WL) framework. While many of these studies have yielded advancements in…

Graph neural networks (GNNs) learn the representation of graph-structured data, and their expressiveness can be further enhanced by inferring node relations for propagation. Attention-based GNNs infer neighbor importance to manipulate the…

In recent years, Graph Neural Networks (GNNs) have been popular in the graph classification task. Currently, shallow GNNs are more common due to the well-known over-smoothing problem facing deeper GNNs. However, they are sub-optimal without…

Graph Neural Networks (GNNs) leverage the graph structure to transmit information between nodes, typically through the message-passing mechanism. While these models have found a wide variety of applications, they are known to suffer from…

The ability of message-passing neural networks (MPNNs) to fit complex functions over graphs is limited as most graph convolutions amplify the same signal across all feature channels, a phenomenon known as rank collapse, and over-smoothing…

The success of deep learning has been due, in no small part, to the availability of large annotated datasets. Thus, a major bottleneck in current learning pipelines is the time-consuming human annotation of data. In scenarios where such…

This paper proposes a deep neural network structure that exploits edge information in addressing representative low-level vision tasks such as layer separation and image filtering. Unlike most other deep learning strategies applied in this…

In this work, we provide a theoretical understanding of the framelet-based graph neural networks through the perspective of energy gradient flow. By viewing the framelet-based models as discretized gradient flows of some energy, we show it…

Graph convolutional networks learn effective node embeddings that have proven to be useful in achieving high-accuracy prediction results in semi-supervised learning tasks, such as node classification. However, these networks suffer from the…

Most graph neural networks follow the message passing mechanism. However, it faces the over-smoothing problem when multiple times of message passing is applied to a graph, causing indistinguishable node representations and prevents the…

State-of-the-art Graph Neural Networks (GNNs) have limited scalability with respect to the graph and model sizes. On large graphs, increasing the model depth often means exponential expansion of the scope (i.e., receptive field). Beyond…

Neural autoregressive sequence models smear the probability among many possible sequences including degenerate ones, such as empty or repetitive sequences. In this work, we tackle one specific case where the model assigns a high probability…

We study the topology of the loss landscape of one-hidden-layer ReLU networks under overparameterization. On the theory side, we (i) prove that for convex $L$-Lipschitz losses with an $\ell_1$-regularized second layer, every pair of models…

Hypergraphs are a generalized data structure of graphs to model higher-order correlations among entities, which have been successfully adopted into various research domains. Meanwhile, HyperGraph Neural Network (HGNN) is currently the…

The pioneering work of Oono and Suzuki [ICLR, 2020] and Cai and Wang [arXiv:2006.13318] initializes the analysis of the smoothness of graph convolutional network (GCN) features. Their results reveal an intricate empirical correlation…

Simulating complex dynamics like fluids with traditional simulators is computationally challenging. Deep learning models have been proposed as an efficient alternative, extending or replacing parts of traditional simulators. We investigate…