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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…

Machine Learning · Computer Science 2022-12-22 Andreea Deac , Marc Lackenby , Petar Veličković

Graph Neural Networks (GNNs) are models that leverage the graph structure to transmit information between nodes, typically through the message-passing operation. While widely successful, this approach is well known to suffer from the…

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

Message passing neural networks iteratively generate node embeddings by aggregating information from neighboring nodes. With increasing depth, information from more distant nodes is included. However, node embeddings may be unable to…

Machine Learning · Computer Science 2024-03-29 Franka Bause , Samir Moustafa , Johannes Langguth , Wilfried N. Gansterer , Nils M. Kriege

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

The message passing framework is the foundation of the immense success enjoyed by graph neural networks (GNNs) in recent years. In spite of its elegance, there exist many problems it provably cannot solve over given input graphs. This has…

Machine Learning · Computer Science 2022-02-23 Petar Veličković

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

Graph Neural Networks (GNNs) revolutionize machine learning for graph-structured data, effectively capturing complex relationships. They disseminate information through interconnected nodes, but long-range interactions face challenges known…

Artificial Intelligence · Computer Science 2025-03-18 Singh Akansha

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

Message-passing graph neural networks (MPNNs) have emerged as a powerful paradigm for graph-based machine learning. Despite their effectiveness, MPNNs face challenges such as under-reaching and over-squashing, where limited receptive fields…

Machine Learning · Computer Science 2024-12-03 Chendi Qian , Andrei Manolache , Christopher Morris , Mathias Niepert

Graph Neural Networks (GNNs) set the state-of-the-art in representation learning for graph-structured data. They are used in many domains, from online social networks to complex molecules. Most GNNs leverage the message-passing paradigm and…

Machine Learning · Computer Science 2025-03-06 Tuğrul Hasan Karabulut , İnci M. Baytaş

The dominant paradigm for learning on graph-structured data is message passing. Despite being a strong inductive bias, the local message passing mechanism suffers from pathological issues such as over-smoothing, over-squashing, and limited…

Machine Learning · Computer Science 2025-04-15 Jacob Bamberger , Federico Barbero , Xiaowen Dong , Michael M. Bronstein

With the increasing use of Graph Neural Networks (GNNs) in critical real-world applications, several post hoc explanation methods have been proposed to understand their predictions. However, there has been no work in generating explanations…

Machine Learning · Computer Science 2022-12-02 Valentina Giunchiglia , Chirag Varun Shukla , Guadalupe Gonzalez , Chirag Agarwal

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…

Machine Learning · Computer Science 2025-10-21 Li Sun , Zhenhao Huang , Ming Zhang , Philip S. Yu

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

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 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…

Machine Learning · Computer Science 2024-03-19 Wei Duan , Jie Lu , Yu Guang Wang , Junyu Xuan

Most graph neural networks (GNNs) are prone to the phenomenon of over-squashing in which node features become insensitive to information from distant nodes in the graph. Recent works have shown that the topology of the graph has the…

Machine Learning · Computer Science 2023-11-30 Julia Balla

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

Exemplar-Free Continual Learning (EFCL) restricts the storage of previous task data and is highly susceptible to catastrophic forgetting. While pre-trained models (PTMs) are increasingly leveraged for EFCL, existing methods often overlook…

Computer Vision and Pattern Recognition · Computer Science 2025-12-16 Siddeshwar Raghavan , Jiangpeng He , Fengqing Zhu