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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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 统计学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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,…

机器学习 · 计算机科学 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,…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

计算与语言 · 计算机科学 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…

机器学习 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 2024-07-30 Gbètondji J-S Dovonon , Michael M. Bronstein , Matt J. Kusner