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Graph neural networks (GNNs) have achieved strong performance across various real-world domains. Nevertheless, they suffer from oversquashing, where long-range information is distorted as it is compressed through limited message-passing…

Machine Learning · Computer Science 2026-04-03 Tanvir Hossain , Muhammad Ifte Khairul Islam , Lilia Chebbah , Charles Fanning , Esra Akbas

This paper addresses the challenging problem of retrieval and matching of graph structured objects, and makes two key contributions. First, we demonstrate how Graph Neural Networks (GNN), which have emerged as an effective model for various…

Machine Learning · Computer Science 2019-05-14 Yujia Li , Chenjie Gu , Thomas Dullien , Oriol Vinyals , Pushmeet Kohli

Graph neural networks (GNNs) work remarkably well in semi-supervised node regression, yet a rigorous theory explaining when and why they succeed remains lacking. To address this gap, we study an aggregate-and-readout model that encompasses…

Machine Learning · Statistics 2026-02-20 Juntong Chen , Claire Donnat , Olga Klopp , Johannes Schmidt-Hieber

Recent works reveal that feature or label smoothing lies at the core of Graph Neural Networks (GNNs). Concretely, they show feature smoothing combined with simple linear regression achieves comparable performance with the carefully designed…

Machine Learning · Computer Science 2021-10-28 Wentao Zhang , Mingyu Yang , Zeang Sheng , Yang Li , Wen Ouyang , Yangyu Tao , Zhi Yang , Bin Cui

Message Passing Neural Networks (MPNNs) are a class of Graph Neural Networks (GNNs) that propagate information across the graph via local neighborhoods. The scheme gives rise to two key challenges: over-smoothing and over-squashing. While…

Machine Learning · Computer Science 2025-05-30 Jasraj Singh , Keyue Jiang , Brooks Paige , Laura Toni

Training deep graph neural networks (GNNs) is notoriously hard. Besides the standard plights in training deep architectures such as vanishing gradients and overfitting, it also uniquely suffers from over-smoothing, information squashing,…

Machine Learning · Computer Science 2022-05-10 Tianlong Chen , Kaixiong Zhou , Keyu Duan , Wenqing Zheng , Peihao Wang , Xia Hu , Zhangyang Wang

Recent research on the grokking phenomenon has illuminated the intricacies of neural networks' training dynamics and their generalization behaviors. Grokking refers to a sharp rise of the network's generalization accuracy on the test set,…

Machine Learning · Computer Science 2024-05-31 Simin Fan , Razvan Pascanu , Martin Jaggi

Graph neural networks (GNNs) have been widely investigated in the field of semi-supervised graph machine learning. Most methods fail to exploit adequate graph information when labeled data is limited, leading to the problem of…

Machine Learning · Computer Science 2023-03-15 Linxuan Song , Wenxuan Tu , Sihang Zhou , Xinwang Liu , En Zhu

Modern neural networks have shown promise for solving partial differential equations over surfaces, often by discretizing the surface as a mesh and learning with a mesh-aware graph neural network. However, graph neural networks suffer from…

Machine Learning · Computer Science 2026-05-13 Edward Berman , Luisa Li , Jung Yeon Park , Robin Walters

While Graph Neural Networks (GNNs) have achieved remarkable results in a variety of applications, recent studies exposed important shortcomings in their ability to capture the structure of the underlying graph. It has been shown that the…

Machine Learning · Computer Science 2023-09-26 Giorgos Bouritsas , Fabrizio Frasca , Stefanos Zafeiriou , Michael M. Bronstein

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…

Computation and Language · Computer Science 2019-09-19 Wei Li , Shuheng Li , Shuming Ma , Yancheng He , Deli Chen , Xu Sun

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…

Machine Learning · Computer Science 2025-10-23 Hugh Blayney , Álvaro Arroyo , Xiaowen Dong , Michael M. Bronstein

Deep neural networks have proved very successful in domains where large training sets are available, but when the number of training samples is small, their performance suffers from overfitting. Prior methods of reducing overfitting such as…

Computer Vision and Pattern Recognition · Computer Science 2016-01-28 Jiaji Huang , Qiang Qiu , Robert Calderbank , Guillermo Sapiro

Graph Neural Networks (GNNs) have achieved remarkable success in various graph-based learning tasks. While their performance is often attributed to the powerful neighborhood aggregation mechanism, recent studies suggest that other…

Machine Learning · Computer Science 2024-12-11 Yushun Dong , Patrick Soga , Yinhan He , Song Wang , Jundong Li

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…

Machine Learning · Computer Science 2022-02-18 Han Shi , Jiahui Gao , Hang Xu , Xiaodan Liang , Zhenguo Li , Lingpeng Kong , Stephen M. S. Lee , James T. Kwok

How can we subsample graph data so that a graph neural network (GNN) trained on the subsample achieves performance comparable to training on the full dataset? This question is of fundamental interest, as smaller datasets reduce labeling…

Machine Learning · Computer Science 2025-02-25 Mika Sarkin Jain , Stefanie Jegelka , Ishani Karmarkar , Luana Ruiz , Ellen Vitercik

Current GNN-oriented NAS methods focus on the search for different layer aggregate components with shallow and simple architectures, which are limited by the 'over-smooth' problem. To further explore the benefits from structural diversity…

Machine Learning · Computer Science 2021-09-22 Guosheng Feng , Chunnan Wang , Hongzhi Wang

Graph neural networks aim to learn representations for graph-structured data and show impressive performance, particularly in node classification. Recently, many methods have studied the representations of GNNs from the perspective of…

Machine Learning · Computer Science 2023-05-30 Jiaqi Sun , Lin Zhang , Guangyi Chen , Kun Zhang , Peng XU , Yujiu Yang

Graph neural networks (GNNs) have achieved significant success in various applications. Most GNNs learn the node features with information aggregation of its neighbors and feature transformation in each layer. However, the node features…

Machine Learning · Computer Science 2024-07-30 Dongzhuoran Zhou , Hui Yang , Bo Xiong , Yue Ma , Evgeny Kharlamov

Transformer-based models have recently become wildly successful across a diverse set of domains. At the same time, recent work has shown empirically and theoretically that Transformers are inherently limited. Specifically, they argue that…

Machine Learning · Computer Science 2024-07-30 Gbètondji J-S Dovonon , Michael M. Bronstein , Matt J. Kusner