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Graph neural networks (GNNs) have exhibited state-of-the-art performance across wide-range of domains such as recommender systems, material design, and drug repurposing. Yet message-passing GNNs suffer from over-squashing -- exponential…

Machine Learning · Computer Science 2025-08-14 Danial Saber , Amirali Salehi-Abari

Graph Neural Networks (GNNs) are popular models for machine learning on graphs that typically follow the message-passing paradigm, whereby the feature of a node is updated recursively upon aggregating information over its neighbors. While…

Machine Learning · Computer Science 2024-05-07 Federico Barbero , Ameya Velingker , Amin Saberi , Michael Bronstein , Francesco Di Giovanni

Graph rewiring has emerged as a key technique to alleviate over-squashing in Graph Neural Networks (GNNs) and Graph Transformers by modifying the graph topology to improve information flow. While effective, rewiring inherently alters the…

Machine Learning · Computer Science 2025-10-24 Alexandre Benoit , Catherine Aitken , Yu He

Graph neural networks have demonstrated state-of-the-art performance on knowledge graph tasks such as link prediction. However, interpreting GNN predictions remains a challenging open problem. While many GNN explainability methods have been…

Machine Learning · Computer Science 2025-06-17 Ryoji Kubo , Djellel Difallah

Graph Neural Networks (GNNs) have been shown to achieve competitive results to tackle graph-related tasks, such as node and graph classification, link prediction and node and graph clustering in a variety of domains. Most GNNs use a message…

Machine Learning · Computer Science 2023-03-07 Adrian Arnaiz-Rodriguez , Ahmed Begga , Francisco Escolano , Nuria Oliver

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

Approximation-based spectral graph neural networks, which construct graph filters with function approximation, have shown substantial performance in graph learning tasks. Despite their great success, existing works primarily employ…

Machine Learning · Computer Science 2025-05-21 Guoming Li , Jian Yang , Shangsong Liang

Graph Neural Networks (GNNs) and their message passing framework that leverages both structural and feature information, have become a standard method for solving graph-based machine learning problems. However, these approaches still…

Machine Learning · Computer Science 2024-11-20 Simon Delarue , Thomas Bonald , Tiphaine Viard

Graph Neural Networks (GNNs) are effective tools for graph representation learning. Most GNNs rely on a recursive neighborhood aggregation scheme, named message passing, thereby their theoretical expressive power is limited to the…

Machine Learning · Computer Science 2023-09-19 Dingmin Wang , Shengchao Liu , Hanchen Wang , Bernardo Cuenca Grau , Linfeng Song , Jian Tang , Song Le , Qi Liu

Graph neural networks have become a staple in problems addressing learning and analysis of data defined over graphs. However, several results suggest an inherent difficulty in extracting better performance by increasing the number of…

Machine Learning · Computer Science 2021-03-30 Diego Valsesia , Giulia Fracastoro , Enrico Magli

Graph Neural Networks (GNNs) excel at modeling relational data but face significant challenges in high-stakes domains due to unquantified uncertainty. Conformal prediction (CP) offers statistical coverage guarantees, but existing methods…

Machine Learning · Computer Science 2025-06-10 Zheng Zhang , Jie Bao , Zhixin Zhou , Nicolo Colombo , Lixin Cheng , Rui Luo

Graph Neural Networks (GNNs) are popular machine learning methods for modeling graph data. A lot of GNNs perform well on homophily graphs while having unsatisfactory performance on heterophily graphs. Recently, some researchers turn their…

Machine Learning · Computer Science 2022-09-20 Wendong Bi , Lun Du , Qiang Fu , Yanlin Wang , Shi Han , Dongmei Zhang

Graph Neural Networks are powerful models for learning from graph-structured data, yet their effectiveness is often limited by two critical challenges: over-squashing, where information from distant nodes is excessively compressed, and…

Machine Learning · Computer Science 2026-05-05 Hugo Attali , Nathalie Pernelle , Davide Buscaldi , Fragkiskos D. Malliaros

Graph Neural Networks are powerful models for learning from graph-structured data, yet their effectiveness is often limited by two critical challenges: over-squashing, where information from distant nodes is excessively compressed, and…

Machine Learning · Computer Science 2026-05-04 Hugo Attali , Davide Buscaldi , Nathalie Pernelle , Fragkiskos D. Malliaros

Graph Neural Networks (GNNs) excel at analyzing graph-structured data but struggle on heterophilic graphs, where connected nodes often belong to different classes. While this challenge is commonly addressed with specialized GNN…

Machine Learning · Computer Science 2025-05-20 Harel Mendelman , Haggai Maron , Ronen Talmon

Graph neural networks compute node representations by performing multiple message-passing steps that consist in local aggregations of node features. Having deep models that can leverage longer-range interactions between nodes is hindered by…

Machine Learning · Computer Science 2025-06-27 Alessio Micheli , Domenico Tortorella

Graph neural networks (GNNs) have drawn significant research attention recently, mostly under the setting of semi-supervised learning. When task-agnostic representations are preferred or supervision is simply unavailable, the auto-encoder…

Machine Learning · Computer Science 2022-02-21 Mingyue Tang , Carl Yang , Pan Li

Maximizing the spectral gap through graph rewiring has been proposed to enhance the performance of message-passing graph neural networks (GNNs) by addressing over-squashing. However, as we show, minimizing the spectral gap can also improve…

Machine Learning · Computer Science 2025-02-10 Celia Rubio-Madrigal , Adarsh Jamadandi , Rebekka Burkholz

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

Graph Visualization, also known as Graph Drawing, aims to find geometric embeddings of graphs that optimize certain criteria. Stress is a widely used metric; stress is minimized when every pair of nodes is positioned at their shortest path…

Computational Geometry · Computer Science 2024-02-13 Florian Grötschla , Joël Mathys , Robert Veres , Roger Wattenhofer
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