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Recent research on graph neural networks (GNNs) has explored mechanisms for capturing local uncertainty and exploiting graph hierarchies to mitigate data sparsity and leverage structural properties. However, the synergistic integration of…

Machine Learning · Computer Science 2025-05-06 Yoonhyuk Choi , Jiho Choi , Taewook Ko , Chong-Kwon Kim

Graph Neural Networks (GNNs) are powerful machine learning prediction models on graph-structured data. However, GNNs lack rigorous uncertainty estimates, limiting their reliable deployment in settings where the cost of errors is…

Machine Learning · Computer Science 2023-11-01 Kexin Huang , Ying Jin , Emmanuel Candès , Jure Leskovec

Graph Neural Networks (GNNs) have been extensively used in various real-world applications. However, the predictive uncertainty of GNNs stemming from diverse sources such as inherent randomness in data and model training errors can lead to…

Machine Learning · Computer Science 2025-03-11 Fangxin Wang , Yuqing Liu , Kay Liu , Yibo Wang , Sourav Medya , Philip S. Yu

Graph Neural Networks (GNNs) has been widely used in a variety of fields because of their great potential in representing graph-structured data. However, lacking of rigorous uncertainty estimations limits their application in high-stakes.…

Machine Learning · Computer Science 2025-01-07 Ting Wang , Zhixin Zhou , Rui Luo

Graph Neural Networks (GNNs) have emerged as powerful representation learning tools for capturing complex dependencies within diverse graph-structured data. Despite their success in a wide range of graph mining tasks, GNNs have raised…

Machine Learning · Computer Science 2024-06-19 Wenzhao Jiang , Hao Liu , Hui Xiong

Uncertainty quantification has become an important factor in understanding the data representations produced by Graph Neural Networks (GNNs). Despite their predictive capabilities being ever useful across industrial workspaces, the inherent…

Artificial Intelligence · Computer Science 2026-05-13 Tommy Woodley , Shireen Kudukkil Manchingal , Matteo Tolloso , Davide Bacciu , Fabio Cuzzolin

The interdependence between nodes in graphs is key to improve class predictions on nodes and utilized in approaches like Label Propagation (LP) or in Graph Neural Networks (GNN). Nonetheless, uncertainty estimation for non-independent…

Machine Learning · Statistics 2021-10-28 Maximilian Stadler , Bertrand Charpentier , Simon Geisler , Daniel Zügner , Stephan Günnemann

Graph Neural Networks (GNNs) have become the de facto standard for analyzing graph-structured data, leveraging message-passing techniques to capture both structural and node feature information. However, recent studies have raised concerns…

Machine Learning · Computer Science 2024-10-22 Yujia Wu , Bo Yang , Yang Zhao , Elynn Chen , Yuzhou Chen , Zheshi Zheng

Graph Neural Networks (GNNs) are able to achieve high classification accuracy on many important real world datasets, but provide no rigorous notion of predictive uncertainty. Quantifying the confidence of GNN models is difficult due to the…

Machine Learning · Statistics 2024-01-10 Jase Clarkson

Accurate modelling and quantification of predictive uncertainty is crucial in deep learning since it allows a model to make safer decisions when the data is ambiguous and facilitates the users' understanding of the model's confidence in its…

Machine Learning · Statistics 2025-08-26 Soumyasundar Pal , Liheng Ma , Amine Natik , Yingxue Zhang , Mark Coates

Graph Neural Networks (GNNs) have proven to be useful for many different practical applications. However, many existing GNN models have implicitly assumed homophily among the nodes connected in the graph, and therefore have largely…

Machine Learning · Computer Science 2021-06-16 Jiong Zhu , Ryan A. Rossi , Anup Rao , Tung Mai , Nedim Lipka , Nesreen K. Ahmed , Danai Koutra

Quantifying predictive uncertainty of neural networks has recently attracted increasing attention. In this work, we focus on measuring uncertainty of graph neural networks (GNNs) for the task of node classification. Most existing GNNs model…

Machine Learning · Computer Science 2023-04-04 Zhao Xu , Carolin Lawrence , Ammar Shaker , Raman Siarheyeu

Graph data often contain noisy and spurious correlations that mask the true causal relationships, which are essential for enabling graph models to make predictions based on the underlying causal structure of the data. Dependence on spurious…

Machine Learning · Computer Science 2026-02-23 Simi Job , Xiaohui Tao , Taotao Cai , Haoran Xie , Jianming Yong

Graph neural networks (GNNs) are powerful tools on graph data. However, their predictions are mis-calibrated and lack interpretability, limiting their adoption in critical applications. To address this issue, we propose a new…

Machine Learning · Computer Science 2025-08-26 Lingkai Kong , Haotian Sun , Yuchen Zhuang , Haorui Wang , Wenhao Mu , Chao Zhang

Graph Neural Networks (GNNs) are neural models that leverage the dependency structure in graphical data via message passing among the graph nodes. GNNs have emerged as pivotal architectures in analyzing graph-structured data, and their…

Machine Learning · Computer Science 2024-03-19 Xu Zheng , Farhad Shirani , Tianchun Wang , Wei Cheng , Zhuomin Chen , Haifeng Chen , Hua Wei , Dongsheng Luo

Graph neural networks (GNNs) excel in graph representation learning by integrating graph structure and node features. Existing GNNs, unfortunately, fail to account for the uncertainty of class probabilities that vary with the depth of the…

Machine Learning · Computer Science 2025-06-17 Qingfeng Chen , Shiyuan Li , Yixin Liu , Shirui Pan , Geoffrey I. Webb , Shichao Zhang

Accurate quantification of both aleatoric and epistemic uncertainties is essential when deploying Graph Neural Networks (GNNs) in high-stakes applications such as drug discovery and financial fraud detection, where reliable predictions are…

Machine Learning · Computer Science 2025-03-12 Linlin Yu , Kangshuo Li , Pritom Kumar Saha , Yifei Lou , Feng Chen

Graph Neural Networks (GNNs) have emerged as powerful tools for predicting outcomes in graph-structured data. However, a notable limitation of GNNs is their inability to provide robust uncertainty estimates, which undermines their…

Machine Learning · Computer Science 2024-10-10 S. Akansha

Recent years have witnessed fast developments of graph neural networks (GNNs) that have benefited myriad graph analytic tasks and applications. Most GNNs rely on the homophily assumption that nodes belonging to the same class are more…

Machine Learning · Computer Science 2026-04-21 Xin Zheng , Yi Wang , Yixin Liu , Ming Li , Miao Zhang , Di Jin , Philip S. Yu , Shirui Pan

Graph Neural Networks (GNN) provide a powerful framework that elegantly integrates Graph theory with Machine learning for modeling and analysis of networked data. We consider the problem of quantifying the uncertainty in predictions of GNN…

Machine Learning · Computer Science 2022-05-23 Sai Munikoti , Deepesh Agarwal , Laya Das , Balasubramaniam Natarajan
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