相关论文: DuSEGO: Dual Second-order Equivariant Graph Ordina…

Graph Neural Networks (GNNs) have achieved impressive performance in graph-related tasks. However, they suffer from poor generalization on out-of-distribution (OOD) data, as they tend to learn spurious correlations. Such correlations…

Graph Convolutional Networks (GCNs) are known to suffer from performance degradation as the number of layers increases, which is usually attributed to over-smoothing. Despite the apparent consensus, we observe that there exists a…

Most current deep learning models equivariant to $O(n)$ or $SO(n)$ either consider mostly scalar information such as distances and angles or have a very high computational complexity. In this work, we test a few novel message passing graph…

Graph Neural Networks (GNNs) have emerged as powerful tools for analyzing and learning representations from graph-structured data. A crucial prerequisite for the outstanding performance of GNNs is the availability of complete graph…

Graph neural networks (GNNs) demonstrate a robust capability for representation learning on graphs with complex structures, showcasing superior performance in various applications. The majority of existing GNNs employ a graph convolution…

Existing graph neural networks (GNNs) largely rely on node embeddings, which represent a node as a vector by its identity, type, or content. However, graphs with unattributed nodes widely exist in real-world applications (e.g., anonymized…

Deep Graph Neural Networks struggle with oversmoothing. This paper introduces a novel, physics-inspired GNN model designed to mitigate this issue. Our approach integrates with existing GNN architectures, introducing an entropy-aware message…

Diffusion has shown great success in improving accuracy of unsupervised image retrieval systems by utilizing high-order structures of image manifold. However, existing diffusion methods suffer from three major limitations: 1) they usually…

The complicated syntax structure of natural language is hard to be explicitly modeled by sequence-based models. Graph is a natural structure to describe the complicated relation between tokens. The recent advance in Graph Neural Networks…

Graph neural networks (GNNs) have achieved remarkable success in a variety of machine learning tasks over graph data. Existing GNNs usually rely on message passing, i.e., computing node representations by gathering information from the…

Graph Neural Networks (GNNs) have emerged as a notorious alternative to address learning problems dealing with non-Euclidean datasets. However, although most works assume that the graph is perfectly known, the observed topology is prone to…

Molecular interactions often involve high-order relationships that cannot be fully captured by traditional graph-based models limited to pairwise connections. Hypergraphs naturally extend graphs by enabling multi-way interactions, making…

There has been tremendous success in the field of graph neural networks (GNNs) as a result of the development of the message-passing (MP) layer, which updates the representation of a node by combining it with its neighbors to address…

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…

We introduce the framework of continuous-depth graph neural networks (GNNs). Neural graph differential equations (Neural GDEs) are formalized as the counterpart to GNNs where the input-output relationship is determined by a continuum of GNN…

Graph neural networks have achieved great success in learning node representations for graph tasks such as node classification and link prediction. Graph representation learning requires graph pooling to obtain graph representations from…

Graph convolutional networks (GCNs) have achieved remarkable learning ability for dealing with various graph structural data recently. In general, deep GCNs do not work well since graph convolution in conventional GCNs is a special form of…

Node representation learning by using Graph Neural Networks (GNNs) has been widely explored. However, in recent years, compelling evidence has revealed that GNN-based node representation learning can be substantially deteriorated by…

Utilizing machine learning to address partial differential equations (PDEs) presents significant challenges due to the diversity of spatial domains and their corresponding state configurations, which complicates the task of encompassing all…

Graph Neural Networks (GNNs) have achieved promising performance on a wide range of graph-based tasks. Despite their success, one severe limitation of GNNs is the over-smoothing issue (indistinguishable representations of nodes in different…