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This paper presents an analytical study of the oversmoothing issue in diffusion-based Graph Neural Networks (GNNs). Generalizing beyond extant approaches grounded in random walk analysis or particle systems, we approach this problem through…
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…
The analogy to heat diffusion has enhanced our understanding of information flow in graphs and inspired the development of Graph Neural Networks (GNNs). However, most diffusion-based GNNs emulate passive heat diffusion, which still suffers…
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,…
Physics-informed Graph Neural Networks have achieved remarkable performance in learning through graph-structured data by mitigating common GNN challenges such as over-smoothing, over-squashing, and heterophily adaption. Despite these…
Graph Neural Network (GNN) achieves great success for node-level and graph-level tasks via encoding meaningful topological structures of networks in various domains, ranging from social to biological networks. However, repeated aggregation…
Graph Convolutional Neural Networks (GCNNs) are generalizations of CNNs to graph-structured data, in which convolution is guided by the graph topology. In many cases where graphs are unavailable, existing methods manually construct graphs…
Graph neural networks (GNNs) have received tremendous attention due to their superiority in learning node representations. These models rely on message passing and feature transformation functions to encode the structural and feature…
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…
Graphs are useful for representing various realworld objects. However, graph neural networks (GNNs) tend to suffer from over-smoothing, where the representations of nodes of different classes become similar as the number of layers…
Graph Neural Networks (GNNs) suffer from over-smoothing in deep architectures and expressiveness bounded by the 1-Weisfeiler-Leman (1-WL) test. We adapt Manifold-Constrained Hyper-Connections (\mhc)~\citep{xie2025mhc}, recently proposed for…
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…
Recently, graph-based models designed for downstream tasks have significantly advanced research on graph neural networks (GNNs). GNN baselines based on neural message-passing mechanisms such as GCN and GAT perform worse as the network…
Oversmoothing has been claimed as a primary bottleneck for multi-layered graph neural networks (GNNs). Multiple analyses have examined how and why oversmoothing occurs. However, none of the prior work addressed how optimization is performed…
Graph Neural Networks (GNNs) have shown success in learning from graph structured data containing node/edge feature information, with application to social networks, recommendation, fraud detection and knowledge graph reasoning. In this…
The performance of graph neural nets (GNNs) is known to gradually decrease with increasing number of layers. This decay is partly attributed to oversmoothing, where repeated graph convolutions eventually make node embeddings…
In recent years, Graph Neural Networks (GNNs) have shown superior performance on diverse applications on real-world datasets. To improve the model capacity and alleviate the over-smoothing problem, several methods proposed to incorporate…
Message Passing Neural Networks (MPNNs) is the building block of graph foundation models, but fundamentally suffer from oversmoothing and oversquashing. There has recently been a surge of interest in fixing both issues. Existing efforts…
Graph convolutional networks (GCNs) have shown promising results in processing graph data by extracting structure-aware features. This gave rise to extensive work in geometric deep learning, focusing on designing network architectures that…
Graph prediction problems prevail in data analysis and machine learning. The inverse prediction problem, namely to infer input data from given output labels, is of emerging interest in various applications. In this work, we develop…