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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

Graph neural networks (GNNs) have emerged as powerful tools for processing relational data in applications. However, GNNs suffer from the problem of oversmoothing, the property that the features of all nodes exponentially converge to the…

机器学习 · 统计学 2025-05-22 Bastian Epping , Alexandre René , Moritz Helias , Michael T. Schaub

While message passing neural networks (MPNNs) have convincing success in a range of applications, they exhibit limitations such as the oversquashing problem and their inability to capture long-range interactions. Augmenting MPNNs with a…

机器学习 · 计算机科学 2025-04-08 Joshua Southern , Francesco Di Giovanni , Michael Bronstein , Johannes F. Lutzeyer

This paper aims to understand and improve the utility of the dropout operation from the perspective of game-theoretic interactions. We prove that dropout can suppress the strength of interactions between input variables of deep neural…

机器学习 · 计算机科学 2021-03-17 Hao Zhang , Sen Li , Yinchao Ma , Mingjie Li , Yichen Xie , Quanshi Zhang

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…

机器学习 · 计算机科学 2025-05-30 Jiaqi Wang , Xinyi Wu , James Cheng , Yifei Wang

Graph Convolutional Networks (GCN) is a pioneering model for graph-based semi-supervised learning. However, GCN does not perform well on sparsely-labeled graphs. Its two-layer version cannot effectively propagate the label information to…

机器学习 · 计算机科学 2025-02-24 Wei Ye , Zexi Huang , Yunqi Hong , Ambuj Singh

Numerous recent research on graph neural networks (GNNs) has focused on formulating GNN architectures as an optimization problem with the smoothness assumption. However, in node classification tasks, the smoothing effect induced by GNNs…

机器学习 · 计算机科学 2023-09-14 Jiayu Zhai , Lequan Lin , Dai Shi , Junbin Gao

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

While Graph Neural Networks (GNNs) are remarkably successful in a variety of high-impact applications, we demonstrate that, in link prediction, the common practices of including the edges being predicted in the graph at training and/or test…

机器学习 · 计算机科学 2023-12-19 Jing Zhu , Yuhang Zhou , Vassilis N. Ioannidis , Shengyi Qian , Wei Ai , Xiang Song , Danai Koutra

Recurrent neural networks (RNNs) stand at the forefront of many recent developments in deep learning. Yet a major difficulty with these models is their tendency to overfit, with dropout shown to fail when applied to recurrent layers. Recent…

机器学习 · 统计学 2016-10-06 Yarin Gal , Zoubin Ghahramani

Deploying graph neural networks (GNNs) on whole-graph classification or regression tasks is known to be challenging: it often requires computing node features that are mindful of both local interactions in their neighbourhood and the global…

机器学习 · 计算机科学 2022-12-22 Andreea Deac , Marc Lackenby , Petar Veličković

Graph Neural Networks (GNNs) are limited in their propagation operators. In many cases, these operators often contain non-negative elements only and are shared across channels, limiting the expressiveness of GNNs. Moreover, some GNNs suffer…

机器学习 · 计算机科学 2023-05-08 Moshe Eliasof , Lars Ruthotto , Eran Treister

Message Passing Neural Networks (MPNNs) model local relations effectively but struggle to propagate information over long distances. Graph Transformers (GTs) mitigate this via global self-attention, yet their quadratic cost in the number of…

机器学习 · 计算机科学 2025-09-03 Shuo Wang , Ge Cheng , Yun Zhang

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…

机器学习 · 计算机科学 2021-12-06 Yongyi Yang , Tang Liu , Yangkun Wang , Jinjing Zhou , Quan Gan , Zhewei Wei , Zheng Zhang , Zengfeng Huang , David Wipf

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) integrate deep architectures and topological structure modeling in an effective way. However, the performance of existing GNNs would decrease significantly when they stack many layers, because of the…

机器学习 · 计算机科学 2021-07-07 Kaixiong Zhou , Xiao Huang , Daochen Zha , Rui Chen , Li Li , Soo-Hyun Choi , Xia Hu

Graph Neural Networks (GNNs) have shown to be powerful tools for graph analytics. The key idea is to recursively propagate and aggregate information along edges of the given graph. Despite their success, however, the existing GNNs are…

机器学习 · 计算机科学 2020-11-16 Dongsheng Luo , Wei Cheng , Wenchao Yu , Bo Zong , Jingchao Ni , Haifeng Chen , Xiang Zhang

Graph Neural Networks (GNNs) are powerful tools for handling graph-type data. Recently, GNNs have been widely applied in various domains, but they also face some issues, such as overfitting, over-smoothing and non-robustness. The existing…

机器学习 · 计算机科学 2024-05-31 Zhiheng Zhou , Sihao Liu , Weichen Zhao

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…

机器学习 · 计算机科学 2019-11-19 Deli Chen , Yankai Lin , Wei Li , Peng Li , Jie Zhou , Xu Sun

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…