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Graph neural networks (GNNs) are widely used in domains like social networks and biological systems. However, the locality assumption of GNNs, which limits information exchange to neighboring nodes, hampers their ability to capture…

机器学习 · 计算机科学 2023-07-04 Tingting Dan , Jiaqi Ding , Ziquan Wei , Shahar Z Kovalsky , Minjeong Kim , Won Hwa Kim , Guorong Wu

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…

机器学习 · 计算机科学 2024-06-13 Dai Shi , Andi Han , Lequan Lin , Yi Guo , Zhiyong Wang , Junbin Gao

Graph Neural Networks (GNNs) achieve outstanding performance across graph-based tasks but remain difficult to interpret. In this paper, we revisit foundational assumptions underlying model-level explanation methods for GNNs, namely: (1)…

机器学习 · 计算机科学 2025-06-10 Hsiao-Ying Lu , Yiran Li , Ujwal Pratap Krishna Kaluvakolanu Thyagarajan , Kwan-Liu Ma

Graph Neural Networks (GNNs) suffer from Oversquashing, which occurs when tasks require long-range interactions. The problem arises from the presence of bottlenecks that limit the propagation of messages among distant nodes. Recently, graph…

机器学习 · 计算机科学 2025-09-09 Kushal Bose , Swagatam Das

Geometric deep learning has made great strides towards generalizing the design of structure-aware neural networks from traditional domains to non-Euclidean ones, giving rise to graph neural networks (GNN) that can be applied to…

机器学习 · 统计学 2024-10-28 Frederik Wenkel , Yimeng Min , Matthew Hirn , Michael Perlmutter , Guy Wolf

Graph alignment, the problem of identifying corresponding nodes across multiple graphs, is fundamental to numerous applications. Most existing unsupervised methods embed node features into latent representations to enable cross-graph…

机器学习 · 计算机科学 2025-09-30 Maysam Behmanesh , Erkan Turan , Maks Ovsjanikov

While Graph Neural Networks (GNNs) are powerful models for learning representations on graphs, most state-of-the-art models do not have significant accuracy gain beyond two to three layers. Deep GNNs fundamentally need to address: 1).…

In this work, we propose to train a graph neural network via resampling from a graphon estimate obtained from the underlying network data. More specifically, the graphon or the link probability matrix of the underlying network is first…

机器学习 · 计算机科学 2021-09-07 Ziqing Hu , Yihao Fang , Lizhen Lin

It has been observed that message-passing graph neural networks (GNN) sometimes struggle to maintain a healthy balance between the efficient/scalable modeling of long-range dependencies across nodes while avoiding unintended consequences…

机器学习 · 计算机科学 2025-05-21 Yongyi Yang , Tang Liu , Yangkun Wang , Zengfeng Huang , David Wipf

We target open-world feature extrapolation problem where the feature space of input data goes through expansion and a model trained on partially observed features needs to handle new features in test data without further retraining. The…

机器学习 · 计算机科学 2023-06-14 Qitian Wu , Chenxiao Yang , Junchi Yan

Graph neural networks (GNNs) are widely used in graph learning and most architectures propagate information by passing messages between vertices. In this work, we shift our attention to GNNs that perform message passing on edges and…

Message Passing Neural Networks (MPNNs) are a common type of Graph Neural Network (GNN), in which each node's representation is computed recursively by aggregating representations (messages) from its immediate neighbors akin to a…

机器学习 · 计算机科学 2022-04-22 Lingxiao Zhao , Wei Jin , Leman Akoglu , Neil Shah

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…

机器学习 · 计算机科学 2025-10-21 Li Sun , Zhenhao Huang , Ming Zhang , Philip S. Yu

In this paper, we strive to develop an interpretable GNNs' inference paradigm, termed MSInterpreter, which can serve as a plug-and-play scheme readily applicable to various GNNs' baselines. Unlike the most existing explanation methods,…

机器学习 · 计算机科学 2023-06-09 Wenda Li , Kaixuan Chen , Shunyu Liu , Wenjie Huang , Haofei Zhang , Yingjie Tian , Yun Su , Mingli Song

Message passing has evolved as an effective tool for designing Graph Neural Networks (GNNs). However, most existing methods for message passing simply sum or average all the neighboring features to update node representations. They are…

机器学习 · 计算机科学 2022-06-17 Rui Yang , Wenrui Dai , Chenglin Li , Junni Zou , Hongkai Xiong

Learning useful node and graph representations with graph neural networks (GNNs) is a challenging task. It is known that deep GNNs suffer from over-smoothing where, as the number of layers increases, node representations become nearly…

机器学习 · 计算机科学 2022-02-28 Pantelis Elinas , Edwin V. Bonilla

Message passing is the core operation in graph neural networks, where each node updates its embeddings by aggregating information from its neighbors. However, in deep architectures, this process often leads to diminished expressiveness. A…

机器学习 · 计算机科学 2025-11-11 Mohammad Shirzadi , Ali Safarpoor Dehkordi , Ahad N. Zehmakan

Graph Neural Networks (GNNs) have become the state-of-the-art method for many applications on graph structured data. GNNs are a model for graph representation learning, which aims at learning to generate low dimensional node embeddings that…

机器学习 · 计算机科学 2022-05-23 Davide Buffelli , Fabio Vandin

Node features of graph neural networks (GNNs) tend to become more similar with the increase of the network depth. This effect is known as over-smoothing, which we axiomatically define as the exponential convergence of suitable similarity…

机器学习 · 计算机科学 2023-03-21 T. Konstantin Rusch , Michael M. Bronstein , Siddhartha Mishra

Graph neural networks (GNNs) are a powerful solution for various structure learning applications due to their strong representation capabilities for graph data. However, traditional GNNs, relying on message-passing mechanisms that gather…

机器学习 · 计算机科学 2024-03-19 Wei Duan , Jie Lu , Yu Guang Wang , Junyu Xuan