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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

Graph Neural Networks (GNNs) have shown success in learning from graph structured data containing node/edge feature information, with application to social networks, recommendation, fraud detection and knowledge graph reasoning. In this…

Machine Learning · Computer Science 2021-11-24 Xiang Song , Runjie Ma , Jiahang Li , Muhan Zhang , David Paul Wipf

Neural networks (NNs), despite their success and wide adoption, still struggle to extrapolate out-of-distribution (OOD), i.e., to inputs that are not well-represented by their training dataset. Addressing the OOD generalization gap is…

Machine Learning · Computer Science 2025-04-01 Robert R. Nerem , Samantha Chen , Sanjoy Dasgupta , Yusu Wang

Graph Neural Networks (GNNs) have become a powerful tool for modeling and analyzing data with graph structures. The wide adoption in numerous applications underscores the value of these models. However, the complexity of these methods often…

Artificial Intelligence · Computer Science 2025-12-10 Tien Cuong Bui

Graph neural networks (GNNs) are quickly becoming the standard approach for learning on graph structured data across several domains, but they lack transparency in their decision-making. Several perturbation-based approaches have been…

Machine Learning · Computer Science 2021-11-29 Anna Himmelhuber , Mitchell Joblin , Martin Ringsquandl , Thomas Runkler

Out-of-distribution (OOD) generalization is an important issue for Graph Neural Networks (GNNs). Recent works employ different graph editions to generate augmented environments and learn an invariant GNN for generalization. However, the…

Machine Learning · Computer Science 2023-03-28 Junchi Yu , Jian Liang , Ran He

Graph machine learning has witnessed rapid growth, driving advancements across diverse domains. However, the in-distribution assumption, where training and testing data share the same distribution, often breaks in real-world scenarios,…

Machine Learning · Computer Science 2025-02-13 Tingyi Cai , Yunliang Jiang , Yixin Liu , Ming Li , Changqin Huang , Shirui Pan

We propose SGS-GNN, a novel supervised graph sparsifier that learns the sampling probability distribution of edges and samples sparse subgraphs of a user-specified size to reduce the computational costs required by GNNs for inference tasks…

Distribution shifts on graphs -- the discrepancies in data distribution between training and employing a graph machine learning model -- are ubiquitous and often unavoidable in real-world scenarios. These shifts may severely deteriorate…

Machine Learning · Computer Science 2025-03-31 Kexin Zhang , Shuhan Liu , Song Wang , Weili Shi , Chen Chen , Pan Li , Sheng Li , Jundong Li , Kaize Ding

Deep learning methods are achieving ever-increasing performance on many artificial intelligence tasks. A major limitation of deep models is that they are not amenable to interpretability. This limitation can be circumvented by developing…

Machine Learning · Computer Science 2022-07-05 Hao Yuan , Haiyang Yu , Shurui Gui , Shuiwang Ji

Graph Neural Networks (GNNs) have achieved impressive results in graph classification tasks, but they struggle to generalize effectively when faced with out-of-distribution (OOD) data. Several approaches have been proposed to address this…

Machine Learning · Computer Science 2024-03-12 Linan Yue , Qi Liu , Ye Liu , Weibo Gao , Fangzhou Yao , Wenfeng Li

Graph Neural Networks (graph NNs) are a promising deep learning approach for analyzing graph-structured data. However, it is known that they do not improve (or sometimes worsen) their predictive performance as we pile up many layers and add…

Machine Learning · Computer Science 2021-01-07 Kenta Oono , Taiji Suzuki

A wide range of models have been proposed for Graph Generative Models, necessitating effective methods to evaluate their quality. So far, most techniques use either traditional metrics based on subgraph counting, or the representations of…

Machine Learning · Statistics 2022-06-14 Hamed Shirzad , Kaveh Hassani , Danica J. Sutherland

Similarly to other connectionist models, Graph Neural Networks (GNNs) lack transparency in their decision-making. A number of sub-symbolic approaches have been developed to provide insights into the GNN decision making process. These are…

Artificial Intelligence · Computer Science 2021-12-06 Anna Himmelhuber , Stephan Grimm , Sonja Zillner , Mitchell Joblin , Martin Ringsquandl , Thomas Runkler

In this work, we investigate the problem of out-of-distribution (OOD) generalization for unsupervised learning methods on graph data. This scenario is particularly challenging because graph neural networks (GNNs) have been shown to be…

Machine Learning · Computer Science 2023-08-03 Yun Zhu , Haizhou Shi , Zhenshuo Zhang , Siliang Tang

Graph neural networks (GNNs) have emerged as a fundamental tool for learning from graph-structured data, achieving strong performance across a wide range of applications. However, understanding their generalization capabilities remains…

Machine Learning · Computer Science 2026-05-14 Peiyao Wang , Liang Bai , Xian Yang , Richard Yi Da Xu , Jiye Liang

Graph Neural Networks (GNNs) are widely used for node classification, yet their opaque decision-making limits trust and adoption. While local explanations offer insights into individual predictions, global explanation methods, those that…

Machine Learning · Computer Science 2025-10-30 Burouj Armgaan , Eshan Jain , Harsh Pandey , Mahesh Chandran , Sayan Ranu

Distribution shifts on graphs -- the data distribution discrepancies between training and testing a graph machine learning model, are often ubiquitous and unavoidable in real-world scenarios. Such shifts may severely deteriorate the…

Machine Learning · Computer Science 2024-02-20 Shuhan Liu , Kaize Ding

Graph-structured data exhibits universality and widespread applicability across diverse domains, such as social network analysis, biochemistry, financial fraud detection, and network security. Significant strides have been made in…

Machine Learning · Computer Science 2025-11-06 Wei Ju , Siyu Yi , Yifan Wang , Zhiping Xiao , Zhengyang Mao , Hourun Li , Yiyang Gu , Yifang Qin , Nan Yin , Senzhang Wang , Xinwang Liu , Philip S. Yu , Ming Zhang

Explainability is crucial for probing graph neural networks (GNNs), answering questions like "Why the GNN model makes a certain prediction?". Feature attribution is a prevalent technique of highlighting the explanatory subgraph in the input…

Machine Learning · Computer Science 2022-04-28 Xiang Wang , Yingxin Wu , An Zhang , Fuli Feng , Xiangnan He , Tat-Seng Chua
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