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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…

Graph Convolutional Networks (GCNs) have become pivotal in recommendation systems for learning user and item embeddings by leveraging the user-item interaction graph's node information and topology. However, these models often face the…

It has been discovered that Graph Convolutional Networks (GCNs) encounter a remarkable drop in performance when multiple layers are piled up. The main factor that accounts for why deep GCNs fail lies in over-smoothing, which isolates the…

Despite the recent success of graph neural networks (GNN), common architectures often exhibit significant limitations, including sensitivity to oversmoothing, long-range dependencies, and spurious edges, e.g., as can occur as a result of…

Graph Neural Networks (GNNs) with equivariant properties have achieved significant success in modeling complex dynamic systems and molecular properties. However, their expressiveness ability is limited by: (1) Existing methods often…

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…

Graph neural networks (GNNs) hold the promise of learning efficient representations of graph-structured data, and one of its most important applications is semi-supervised node classification. However, in this application, GNN frameworks…

The dominant paradigm for learning on graph-structured data is message passing. Despite being a strong inductive bias, the local message passing mechanism suffers from pathological issues such as over-smoothing, over-squashing, and limited…

Graph Neural Networks (GNNs) have led to state-of-the-art performance on a variety of machine learning tasks such as recommendation, node classification and link prediction. Graph neural network models generate node embeddings by merging…

With the increasing use of Graph Neural Networks (GNNs) in critical real-world applications, several post hoc explanation methods have been proposed to understand their predictions. However, there has been no work in generating explanations…

Graph Neural Networks (GNNs) have proven effective in various medical imaging applications, such as automated disease diagnosis. However, due to the local neighborhood aggregation paradigm in message passing which characterizes these…

Recently over-smoothing phenomenon of Transformer-based models is observed in both vision and language fields. However, no existing work has delved deeper to further investigate the main cause of this phenomenon. In this work, we make the…

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…

A graph convolutional network (GCN) employs a graph filtering kernel tailored for data with irregular structures. However, simply stacking more GCN layers does not improve performance; instead, the output converges to an uninformative…

Deep graph neural networks (GNNs) often suffer from oversmoothing, where node representations become overly homogeneous with increasing depth. While techniques like normalization, residual connections, and edge dropout have been proposed to…

Graph convolutional network (GCN) is a powerful model studied broadly in various graph structural data learning tasks. However, to mitigate the over-smoothing phenomenon, and deal with heterogeneous graph structural data, the design of GCN…

Graph neural networks (GNNs) have demonstrated significant promise in modelling relational data and have been widely applied in various fields of interest. The key mechanism behind GNNs is the so-called message passing where information is…

We propose Scalable Message Passing Neural Networks (SMPNNs) and demonstrate that, by integrating standard convolutional message passing into a Pre-Layer Normalization Transformer-style block instead of attention, we can produce…

Oversmoothing is a common phenomenon in a wide range of Graph Neural Networks (GNNs) and Transformers, where performance worsens as the number of layers increases. Instead of characterizing oversmoothing from the view of complete collapse…

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…