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Graph embedding is a transformation of nodes of a network into a set of vectors. A good embedding should capture the underlying graph topology and structure, node-to-node relationship, and other relevant information about the graph, its…

Social and Information Networks · Computer Science 2021-12-02 Bogumił Kamiński , Łukasz Kraiński , Paweł Prałat , François Théberge

Recent years have seen the vast potential of Graph Neural Networks (GNN) in many fields where data is structured as graphs (e.g., chemistry, recommender systems). In particular, GNNs are becoming increasingly popular in the field of…

Graph-structured data pervades domains such as social networks, biological systems, knowledge graphs, and recommender systems. While foundation models have transformed natural language processing, vision, and multimodal learning through…

Graph Neural Networks (GNNs) have made significant advances on several fundamental inference tasks. As a result, there is a surge of interest in using these models for making potentially important decisions in high-regret applications.…

Machine Learning · Computer Science 2020-02-26 Kaidi Xu , Sijia Liu , Pin-Yu Chen , Mengshu Sun , Caiwen Ding , Bhavya Kailkhura , Xue Lin

Graph Neural Networks (GNNs) are proposed without considering the agnostic distribution shifts between training and testing graphs, inducing the degeneration of the generalization ability of GNNs on Out-Of-Distribution (OOD) settings. The…

Machine Learning · Computer Science 2024-03-12 Shaohua Fan , Xiao Wang , Chuan Shi , Peng Cui , Bai Wang

Ensuring the generalisability of clinical machine learning (ML) models across diverse healthcare settings remains a significant challenge due to variability in patient demographics, disease prevalence, and institutional practices. Existing…

Machine Learning · Computer Science 2025-04-30 Bradley Segal , Joshua Fieggen , David Clifton , Lei Clifton

Graph Neural Networks (GNNs) have demonstrated remarkable efficacy in handling graph-structured data; however, they exhibit failures after deployment, which can cause severe consequences. Hence, conducting thorough testing before deployment…

Software Engineering · Computer Science 2025-12-23 Lichen Yang , Qiang Wang , Zhonghao Yang , Daojing He , Yu Li

Graph representation learning has recently been applied to a broad spectrum of problems ranging from computer graphics and chemistry to high energy physics and social media. The popularity of graph neural networks has sparked interest, both…

Machine Learning · Computer Science 2020-11-05 Fabrizio Frasca , Emanuele Rossi , Davide Eynard , Ben Chamberlain , Michael Bronstein , Federico Monti

As the field of Graph Neural Networks (GNN) continues to grow, it experiences a corresponding increase in the need for large, real-world datasets to train and test new GNN models on challenging, realistic problems. Unfortunately, such graph…

Machine Learning · Computer Science 2023-06-12 Minji Yoon , Yue Wu , John Palowitch , Bryan Perozzi , Ruslan Salakhutdinov

Advancing trustworthy AI requires principled software engineering approaches to model evaluation. Graph Neural Networks (GNNs) have achieved remarkable success in processing graph-structured data, however, their expressiveness in capturing…

Machine Learning · Computer Science 2026-03-03 Sicong Che , Jiayi Yang , Sarfraz Khurshid , Wenxi Wang

Recent advances in Graph Neural Networks (GNNs) have revolutionized graph-structured data modeling, yet traditional GNNs struggle with complex heterogeneous structures prevalent in real-world scenarios. Despite progress in handling…

Machine Learning · Computer Science 2025-01-07 Zongwei Li , Lianghao Xia , Hua Hua , Shijie Zhang , Shuangyang Wang , Chao Huang

Graph Neural Networks (GNNs) have attracted increasing attention in recent years and have achieved excellent performance in semi-supervised node classification tasks. The success of most GNNs relies on one fundamental assumption, i.e., the…

Machine Learning · Computer Science 2024-12-03 Junchao Lin , Yuan Wan , Jingwen Xu , Xingchen Qi

Graph neural networks (GNNs) are shown to be successful in modeling applications with graph structures. However, training an accurate GNN model requires a large collection of labeled data and expressive features, which might be inaccessible…

Machine Learning · Computer Science 2019-06-03 Ziniu Hu , Changjun Fan , Ting Chen , Kai-Wei Chang , Yizhou Sun

Graph neural network (GNN) has gained increasing popularity in recent years owing to its capability and flexibility in modeling complex graph structure data. Among all graph learning methods, hypergraph learning is a technique for exploring…

Machine Learning · Computer Science 2024-12-31 Tiehua Zhang , Yuze Liu , Zhishu Shen , Xingjun Ma , Peng Qi , Zhijun Ding , Jiong Jin

Graph neural networks (GNNs) have emerged as a powerful tool for modeling graph-structured data. However, existing GNNs often struggle with heterophilic graphs, where connected nodes tend to have dissimilar features or labels. While…

Machine Learning · Computer Science 2026-02-10 Ruizhong Qiu , Ting-Wei Li , Gaotang Li , Hanghang Tong

Graph foundation models (GFM) aim to acquire transferable knowledge by pre-training on diverse graphs, which can be adapted to various downstream tasks. However, domain shift in graphs is inherently two-dimensional: graphs differ not only…

Computation and Language · Computer Science 2026-03-12 Xingtong Yu , Shenghua Ye , Ruijuan Liang , Chang Zhou , Hong Cheng , Xinming Zhang , Yuan Fang

Graphs are fundamental data structures for modeling complex interactions in domains such as social networks, molecular structures, and biological systems. Graph-level tasks, which involve predicting properties or labels for entire graphs,…

Machine Learning · Computer Science 2026-04-10 Haoyang Li , Yuming Xu , Alexander Zhou , Yongqi Zhang , Jason Chen Zhang , Lei Chen , Qing Li

Diffusion models achieve state-of-the-art performance in generating realistic objects and have been successfully applied to images, text, and videos. Recent work has shown that diffusion can also be defined on graphs, including graph…

Machine Learning · Computer Science 2023-02-09 Alex M. Tseng , Nathaniel Diamant , Tommaso Biancalani , Gabriele Scalia

The era of foundation models has revolutionized AI research, yet Graph Foundation Models (GFMs) remain constrained by the scarcity of large-scale graph corpora. Traditional graph data synthesis techniques primarily focus on simplistic…

Machine Learning · Computer Science 2025-05-06 Enjun Du , Xunkai Li , Tian Jin , Zhihan Zhang , Rong-Hua Li , Guoren Wang

Graph Neural Networks (GNNs) have become the standard method for learning from networks across fields ranging from biology to social systems, yet a principled understanding of what enables them to extract meaningful representations, or why…

Machine Learning · Statistics 2026-03-19 Nil Ayday , Mahalakshmi Sabanayagam , Debarghya Ghoshdastidar
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