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Graph Neural Network (GNN) inference on billion-scale graphs is critical for domains like fintech and recommendation systems. Full-graph inference on these large graphs can be challenging due to high communication costs in distributed…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-05-12 Pranjal Naman , Yogesh Simmhan

The problem of out-of-distribution detection for graph classification is far from being solved. The existing models tend to be overconfident about OOD examples or completely ignore the detection task. In this work, we consider this problem…

Machine Learning · Computer Science 2022-06-23 Gleb Bazhenov , Sergei Ivanov , Maxim Panov , Alexey Zaytsev , Evgeny Burnaev

Similarity search is a fundamental task for exploiting information in various applications dealing with graph data, such as citation networks or knowledge graphs. While this task has been intensively approached from heuristics to graph…

Machine Learning · Computer Science 2026-05-12 Daniel Daza , Cuong Xuan Chu , Trung-Kien Tran , Daria Stepanova , Michael Cochez , Paul Groth

Deep neural networks have achieved significant success in the last decades, but they are not well-calibrated and often produce unreliable predictions. A large number of literature relies on uncertainty quantification to evaluate the…

Machine Learning · Computer Science 2023-11-13 Russell Alan Hart , Linlin Yu , Yifei Lou , Feng Chen

Background. Commonly, Deep Neural Networks (DNNs) generalize well on samples drawn from a distribution similar to that of the training set. However, DNNs' predictions are brittle and unreliable when the test samples are drawn from a…

Machine Learning · Computer Science 2022-04-01 Matan Haroush , Tzviel Frostig , Ruth Heller , Daniel Soudry

Diffusion models have become a leading paradigm in generative AI, with score estimation via denoising score matching as a central component. While recent theory provides strong statistical guarantees, it typically relies on…

Machine Learning · Computer Science 2026-04-21 Yinbin Han , Meisam Razaviyayn , Renyuan Xu

In recent years, the remarkable success of graph neural networks (GNNs) on graph-structured data has prompted a surge of methods for explaining GNN predictions. However, the state-of-the-art for GNN explainability remains in flux. Different…

Machine Learning · Computer Science 2025-08-05 Jesse He , Akbar Rafiey , Gal Mishne , Yusu Wang

This paper proposes a new eXplanation framework, called OrphicX, for generating causal explanations for any graph neural networks (GNNs) based on learned latent causal factors. Specifically, we construct a distinct generative model and…

Machine Learning · Computer Science 2022-04-12 Wanyu Lin , Hao Lan , Hao Wang , Baochun Li

Graph Neural Networks (GNNs) have received increasing attention due to their ability to learn from graph-structured data. However, their predictions are often not interpretable. Post-hoc instance-level explanation methods have been proposed…

Machine Learning · Computer Science 2023-07-18 Jiaxing Zhang , Dongsheng Luo , Hua Wei

Graph Neural Networks (GNNs) have emerged as an efficient alternative to convolutional approaches for vision tasks such as image classification, leveraging patch-based representations instead of raw pixels. These methods construct graphs…

Computer Vision and Pattern Recognition · Computer Science 2025-04-29 Nikolaos Chaidos , Angeliki Dimitriou , Nikolaos Spanos , Athanasios Voulodimos , Giorgos Stamou

Graph Neural Networks (GNNs), developed by the graph learning community, have been adopted and shown to be highly effective in multi-robot and multi-agent learning. Inspired by this successful cross-pollination, we investigate and…

Multiagent Systems · Computer Science 2025-02-17 Siva Kailas , Shalin Jain , Harish Ravichandar

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

Graph Neural Networks (GNNs) often encounter significant performance degradation under distribution shifts between training and test data, hindering their applicability in real-world scenarios. Recent studies have proposed various methods…

Machine Learning · Computer Science 2025-09-09 Tianjun Yao , Haoxuan Li , Yongqiang Chen , Tongliang Liu , Le Song , Eric Xing , Zhiqiang Shen

Graph Neural Networks (GNN) are currently the most popular approach for learning and prediction on graph-structured data and are deployed in various fields, from social network analysis to drug discovery. However, there is limited…

Methodology · Statistics 2026-05-26 Nil Ayday , Mahalakshmi Sabanayagam , Debarghya Ghoshdastidar

Despite enormous successful applications of graph neural networks (GNNs), theoretical understanding of their generalization ability, especially for node-level tasks where data are not independent and identically-distributed (IID), has been…

Machine Learning · Computer Science 2021-12-01 Jiaqi Ma , Junwei Deng , Qiaozhu Mei

Structural data well exists in Web applications, such as social networks in social media, citation networks in academic websites, and threads data in online forums. Due to the complex topology, it is difficult to process and make use of the…

Information Retrieval · Computer Science 2022-05-12 Juntao Tan , Shijie Geng , Zuohui Fu , Yingqiang Ge , Shuyuan Xu , Yunqi Li , Yongfeng Zhang

Graph Neural Networks (GNNs) have demonstrated exceptional efficacy in relational learning tasks, including node classification and link prediction. However, their application raises significant fairness concerns, as GNNs can perpetuate and…

Machine Learning · Computer Science 2025-12-04 Mahdi Tavassoli Kejani , Fadi Dornaika , Jean-Michel Loubes

One significant challenge of exploiting Graph neural networks (GNNs) in real-life scenarios is that they are always treated as black boxes, therefore leading to the requirement of interpretability. To address this, model-level…

Machine Learning · Computer Science 2025-09-22 Xiao Yue , Guangzhi Qu , Lige Gan

In image generation, generative models can be evaluated naturally by visually inspecting model outputs. However, this is not always the case for graph generative models (GGMs), making their evaluation challenging. Currently, the standard…

Machine Learning · Computer Science 2022-04-29 Rylee Thompson , Boris Knyazev , Elahe Ghalebi , Jungtaek Kim , Graham W. Taylor

Graph neural networks (GNNs) have achieved remarkable success in node classification. Building on this progress, heterogeneous graph neural networks (HGNNs) integrate relation types and node and edge semantics to leverage heterogeneous…

Machine Learning · Computer Science 2025-10-08 Xiao Yang , Xuejiao Zhao , Zhiqi Shen