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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

To evaluate a classification algorithm, it is common practice to plot the ROC curve using test data. However, the inherent randomness in the test data can undermine our confidence in the conclusions drawn from the ROC curve, necessitating…

Methodology · Statistics 2024-05-22 Zheshi Zheng , Bo Yang , Peter Song

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) 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 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

Graph Neural Networks (GNNs) have emerged as potent tools for predicting outcomes in graph-structured data. Despite their efficacy, a significant drawback of GNNs lies in their limited ability to provide robust uncertainty estimates, posing…

Machine Learning · Computer Science 2025-03-26 S. Akansha

Graph Neural Networks (GNNs) excel in diverse tasks, yet their applications in high-stakes domains are often hampered by unreliable predictions. Although numerous uncertainty quantification methods have been proposed to address this…

Machine Learning · Computer Science 2024-07-22 Tianyi Zhao , Jian Kang , Lu Cheng

Trustworthy decision making in networked, dynamic environments calls for innovative uncertainty quantification substrates in predictive models for graph time series. Existing conformal prediction (CP) methods have been applied separately to…

Machine Learning · Computer Science 2025-10-14 Sonakshi Dua , Gonzalo Mateos , Sundeep Prabhakar Chepuri

Graph Neural Networks (GNNs) have shown remarkable performance on graph-structured data. However, recent empirical studies suggest that GNNs are very susceptible to distribution shift. There is still significant ambiguity about why…

Machine Learning · Computer Science 2023-06-07 Qi Zhu , Yizhu Jiao , Natalia Ponomareva , Jiawei Han , Bryan Perozzi

The Receiver Operating Characteristic (ROC) curve is a useful tool that measures the discriminating power of a continuous variable or the accuracy of a pharmaceutical or medical test to distinguish between two conditions or classes. In…

Methodology · Statistics 2022-07-26 Ana M. Bianco , Graciela Boente , Wenceslao Gonzalez-Manteiga

Graph Anomaly Detection (GAD) is critical in security-sensitive domains, yet faces reliability challenges: miscalibrated confidence estimation (underconfidence in normal nodes, overconfidence in anomalies), adversarial vulnerability of…

Machine Learning · Computer Science 2025-04-04 Songran Bai , Xiaolong Zheng , Daniel Dajun Zeng

Diagnostic tests are of critical importance in health care and medical research. Motivated by the impact that atypical and outlying test outcomes might have on the assessment of the discriminatory ability of a diagnostic test, we develop a…

Several efforts have been done to bring ROC analysis beyond (binary) classification, especially in regression. However, the mapping and possibilities of these proposals do not correspond to what we expect from the analysis of operating…

Statistics Theory · Mathematics 2013-10-17 Jose Hernandez-Orallo

Conformal prediction (CP) provides a distribution-free approach to uncertainty quantification with finite-sample guarantees. However, applying CP to graph neural networks (GNNs) remains challenging as the combinatorial nature of graphs…

Machine Learning · Computer Science 2026-05-11 Peyman Baghershahi , Fangxin Wang , Debmalya Mandal , Sourav Medya

Conformal prediction (CP) transforms any model's output into prediction sets guaranteed to include (cover) the true label. CP requires exchangeability, a relaxation of the i.i.d. assumption, to obtain a valid distribution-free coverage…

Machine Learning · Computer Science 2024-07-15 Soroush H. Zargarbashi , Aleksandar Bojchevski

Temporal Graph Neural Networks (TGNNs) are pivotal in processing dynamic graphs. However, existing TGNNs primarily target one-time predictions for a given temporal span, whereas many practical applications require continuous predictions,…

Machine Learning · Computer Science 2026-02-16 Zulun Zhu , Siqiang Luo

The receiver operating characteristic (ROC) curve is the most popular tool used to evaluate the discriminatory capability of diagnostic tests/biomarkers measured on a continuous scale when distinguishing between two alternative disease…

Methodology · Statistics 2021-03-22 Maria Xose Rodriguez-Alvarez , Vanda Inacio

Conformal prediction for graph neural networks (GNNs) offers a promising framework for quantifying uncertainty, enhancing GNN reliability in high-stakes applications. However, existing methods predominantly focus on static graphs,…

Machine Learning · Computer Science 2025-07-04 Tuo Wang , Jian Kang , Yujun Yan , Adithya Kulkarni , Dawei Zhou

Uncertainty quantification is essential for deploying reliable Graph Neural Networks (GNNs), where existing approaches primarily rely on Bayesian inference or ensembles. In this paper, we introduce the first credal graph neural networks…

Machine Learning · Computer Science 2025-12-03 Matteo Tolloso , Davide Bacciu

Reliability Assessment Commitment (RAC) Optimization is increasingly important in grid operations due to larger shares of renewable generations in the generation mix and increased prediction errors. Independent System Operators (ISOs) also…

Machine Learning · Computer Science 2023-06-13 Seonho Park , Wenbo Chen , Dahye Han , Mathieu Tanneau , Pascal Van Hentenryck
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