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Graph Neural Networks learn on graph-structured data by iteratively aggregating local neighborhood information. While this local message passing paradigm imparts a powerful inductive bias and exploits graph sparsity, it also yields three…

Machine Learning · Computer Science 2025-11-07 Ryien Hosseini , Filippo Simini , Venkatram Vishwanath , Rebecca Willett , Henry Hoffmann

In recent years, Graph Neural Networks (GNNs) have been popular in the graph classification task. Currently, shallow GNNs are more common due to the well-known over-smoothing problem facing deeper GNNs. However, they are sub-optimal without…

Machine Learning · Computer Science 2023-02-20 Lanning Wei , Zhiqiang He , Huan Zhao , Quanming Yao

Graph Neural Networks (GNNs) have shown great potential in the field of graph representation learning. Standard GNNs define a local message-passing mechanism which propagates information over the whole graph domain by stacking multiple…

Computer Vision and Pattern Recognition · Computer Science 2023-06-01 Xiaoxin He , Bryan Hooi , Thomas Laurent , Adam Perold , Yann LeCun , Xavier Bresson

Message passing graph neural networks (GNNs) are a popular learning architectures for graph-structured data. However, one problem GNNs experience is oversquashing, where a GNN has difficulty sending information between distant nodes.…

Machine Learning · Computer Science 2023-06-07 Mitchell Black , Zhengchao Wan , Amir Nayyeri , Yusu Wang

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…

Machine Learning · Computer Science 2023-07-04 Tingting Dan , Jiaqi Ding , Ziquan Wei , Shahar Z Kovalsky , Minjeong Kim , Won Hwa Kim , Guorong Wu

Graph Neural Networks (GNNs) are widely applied to graph learning problems such as node classification. When scaling up the underlying graphs of GNNs to a larger size, we are forced to either train on the complete graph and keep the full…

Machine Learning · Computer Science 2024-06-25 Mucong Ding , Tahseen Rabbani , Bang An , Evan Z Wang , Furong Huang

Graph neural networks (GNNs) are able to leverage the structure of graph data by passing messages along the edges of the graph. While this allows GNNs to learn features depending on the graph structure, for certain graph topologies it leads…

Machine Learning · Computer Science 2023-02-17 Kedar Karhadkar , Pradeep Kr. Banerjee , Guido Montúfar

Despite the recent success of Graph Neural Networks (GNNs), training GNNs on large graphs remains challenging. The limited resource capacities of the existing servers, the dependency between nodes in a graph, and the privacy concern due to…

Machine Learning · Computer Science 2022-03-15 Morteza Ramezani , Weilin Cong , Mehrdad Mahdavi , Mahmut T. Kandemir , Anand Sivasubramaniam

Graph Neural Networks (GNNs) had been demonstrated to be inherently susceptible to the problems of over-smoothing and over-squashing. These issues prohibit the ability of GNNs to model complex graph interactions by limiting their…

Machine Learning · Computer Science 2023-06-01 Khang Nguyen , Hieu Nong , Vinh Nguyen , Nhat Ho , Stanley Osher , Tan Nguyen

Recent works have investigated the role of graph bottlenecks in preventing long-range information propagation in message-passing graph neural networks, causing the so-called `over-squashing' phenomenon. As a remedy, graph rewiring…

Machine Learning · Computer Science 2022-12-14 Domenico Tortorella , Alessio Micheli

Federated Graph Learning (FGL) enables multiple clients to jointly train powerful graph learning models, e.g., Graph Neural Networks (GNNs), without sharing their local graph data for graph-related downstream tasks, such as graph property…

Machine Learning · Computer Science 2025-02-24 Xingbo Fu , Zihan Chen , Yinhan He , Song Wang , Binchi Zhang , Chen Chen , Jundong Li

Residual connections and normalization layers have become standard design choices for graph neural networks (GNNs), and were proposed as solutions to the mitigate the oversmoothing problem in GNNs. However, how exactly these methods help…

Machine Learning · Computer Science 2026-01-21 Michael Scholkemper , Xinyi Wu , Ali Jadbabaie , Michael T. Schaub

Mesh-based simulation using Graph Neural Networks (GNNs) has been recognized as a promising approach for modeling fluid dynamics. However, the mesh refinement techniques which allocate finer resolution to regions with steep gradients can…

Machine Learning · Computer Science 2025-11-18 Sangwoo Seo , Hyunsung Kim , Jiwan Kim , Chanyoung Park

Graph Neural Networks (GNNs) are routinely used in molecular physics, social sciences, and economics to model many-body interactions in graph-like systems. However, GNNs are inherently local and can suffer from information flow bottlenecks.…

Computational Physics · Physics 2025-02-21 Alessandro Caruso , Jacopo Venturin , Lorenzo Giambagli , Edoardo Rolando , Frank Noé , Cecilia Clementi

The message-passing paradigm of Graph Neural Networks often struggles with exchanging information across distant nodes typically due to structural bottlenecks in certain graph regions, a limitation known as \textit{over-squashing}. To…

Machine Learning · Computer Science 2025-06-23 Langzhang Liang , Fanchen Bu , Zixing Song , Zenglin Xu , Shirui Pan , Kijung Shin

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…

Machine Learning · Computer Science 2025-02-24 Wei Ye , Zexi Huang , Yunqi Hong , Ambuj Singh

Graph Neural Networks (GNNs) have demonstrated impressive performance across diverse graph-based tasks by leveraging message passing to capture complex node relationships. However, on large-scale real-world graphs, GNNs face two major…

Machine Learning · Computer Science 2026-03-10 Xiang Li , Jianpeng Qi , Haobing Liu , Yuan Cao , Guoqing Chao , Zhongying Zhao , Junyu Dong , Xinwang Liu , Yanwei Yu

GNNs are widely used to solve various tasks including node classification and link prediction. Most of the GNN architectures assume the initial embedding to be random or generated from popular distributions. These initial embeddings require…

Machine Learning · Computer Science 2024-01-31 Shraban Kumar Chatterjee , Suman Kundu

Graph Neural Networks struggle to capture long-range dependencies due to over-squashing, where information from exponentially growing neighborhoods must pass through a small number of structural bottlenecks. While recent rewiring methods…

Machine Learning · Computer Science 2026-03-13 Bertran Miquel-Oliver , Manel Gil-Sorribes , Victor Guallar , Alexis Molina

The quality of signal propagation in message-passing graph neural networks (GNNs) strongly influences their expressivity as has been observed in recent works. In particular, for prediction tasks relying on long-range interactions, recursive…

Machine Learning · Computer Science 2022-08-09 Pradeep Kr. Banerjee , Kedar Karhadkar , Yu Guang Wang , Uri Alon , Guido Montúfar