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Deep neural networks (DNNs), while increasingly deployed in many applications, struggle with robustness against anomalous and out-of-distribution (OOD) data. Current OOD benchmarks often oversimplify, focusing on single-object tasks and not…

Computer Vision and Pattern Recognition · Computer Science 2024-09-30 Debargha Ganguly , Debayan Gupta , Vipin Chaudhary

We present Graph Neural Diffusion (GRAND) that approaches deep learning on graphs as a continuous diffusion process and treats Graph Neural Networks (GNNs) as discretisations of an underlying PDE. In our model, the layer structure and…

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

Deep neural networks (DNNs), especially convolutional neural networks, have achieved superior performance on image classification tasks. However, such performance is only guaranteed if the input to a trained model is similar to the training…

Computer Vision and Pattern Recognition · Computer Science 2021-01-28 Liang Liang , Linhai Ma , Linchen Qian , Jiasong Chen

Graph Neural Networks (GNNs) are a new and increasingly popular family of deep neural network architectures to perform learning on graphs. Training them efficiently is challenging due to the irregular nature of graph data. The problem…

Machine Learning · Computer Science 2021-06-15 Marco Serafini , Hui Guan

Graph neural networks (GNNs) have been demonstrated to be a powerful algorithmic model in broad application fields for their effectiveness in learning over graphs. To scale GNN training up for large-scale and ever-growing graphs, the most…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-11-30 Haiyang Lin , Mingyu Yan , Xiaochun Ye , Dongrui Fan , Shirui Pan , Wenguang Chen , Yuan Xie

Due to the performance degradation of graph neural networks (GNNs) under distribution shifts, the work on out-of-distribution (OOD) generalization on graphs has received widespread attention. A novel perspective involves distinguishing…

Machine Learning · Computer Science 2024-06-04 Haoran Yang , Xiaobing Pei , Kai Yuan

We study the problem of semi-supervised learning on graphs, for which graph neural networks (GNNs) have been extensively explored. However, most existing GNNs inherently suffer from the limitations of over-smoothing, non-robustness, and…

Machine Learning · Computer Science 2021-09-22 Wenzheng Feng , Jie Zhang , Yuxiao Dong , Yu Han , Huanbo Luan , Qian Xu , Qiang Yang , Evgeny Kharlamov , Jie Tang

Graph Convolutional Neural Networks (GCNNs) are generalizations of CNNs to graph-structured data, in which convolution is guided by the graph topology. In many cases where graphs are unavailable, existing methods manually construct graphs…

Machine Learning · Computer Science 2019-09-17 Xiang Gao , Wei Hu , Zongming Guo

Graph Neural Networks (GNNs) are proficient in graph representation learning and achieve promising performance on versatile tasks such as node classification and link prediction. Usually, a comprehensive hyperparameter tuning is essential…

Machine Learning · Computer Science 2024-10-10 Lequan Lin , Dai Shi , Andi Han , Zhiyong Wang , Junbin Gao

Training Graph Neural Networks (GNNs) on large graphs presents unique challenges due to the large memory and computing requirements. Distributed GNN training, where the graph is partitioned across multiple machines, is a common approach to…

Machine Learning · Computer Science 2024-06-26 Juan Cervino , Md Asadullah Turja , Hesham Mostafa , Nageen Himayat , Alejandro Ribeiro

Graph neural networks (GNNs) are naturally distributed architectures for learning representations from network data. This renders them suitable candidates for decentralized tasks. In these scenarios, the underlying graph often changes with…

Machine Learning · Computer Science 2022-08-31 Zhan Gao , Fernando Gama , Alejandro Ribeiro

Graph neural networks (GNNs) are powerful tools for developing scalable, decentralized artificial intelligence in large-scale networked systems, such as wireless networks, power grids, and transportation networks. Currently, GNNs in…

Machine Learning · Computer Science 2024-12-10 Rostyslav Olshevskyi , Zhongyuan Zhao , Kevin Chan , Gunjan Verma , Ananthram Swami , Santiago Segarra

Prediction models often fail if train and test data do not stem from the same distribution. Out-of-distribution (OOD) generalization to unseen, perturbed test data is a desirable but difficult-to-achieve property for prediction models and…

Methodology · Statistics 2022-05-25 Lucas Kook , Beate Sick , Peter Bühlmann

Dynamic graph neural networks (DGNNs) are increasingly pervasive in exploiting spatio-temporal patterns on dynamic graphs. However, existing works fail to generalize under distribution shifts, which are common in real-world scenarios. As…

Machine Learning · Computer Science 2023-11-21 Haonan Yuan , Qingyun Sun , Xingcheng Fu , Ziwei Zhang , Cheng Ji , Hao Peng , Jianxin Li

Graph machine learning (GML) has been successfully applied across a wide range of tasks. Nonetheless, GML faces significant challenges in generalizing over out-of-distribution (OOD) data, which raises concerns about its wider applicability.…

Machine Learning · Computer Science 2024-10-17 Jing Ma

Graph Neural Networks (GNNs) are deep-learning architectures designed for graph-type data, where understanding relationships among individual observations is crucial. However, achieving promising GNN performance, especially on unseen data,…

Machine Learning · Computer Science 2024-05-22 Lequan Lin , Dai Shi , Andi Han , Zhiyong Wang , Junbin Gao

Out-of-distribution (OOD) detection is crucial for ensuring the reliability of deep learning models in real-world applications. Existing methods typically focus on feature representations or output-space analysis, often assuming a…

Computer Vision and Pattern Recognition · Computer Science 2025-09-18 Mostafa ElAraby , Sabyasachi Sahoo , Yann Pequignot , Paul Novello , Liam Paull

Graph neural networks (GNNs) learn representations from network data with naturally distributed architectures, rendering them well-suited candidates for decentralized learning. Oftentimes, this decentralized graph support changes with time…

Machine Learning · Computer Science 2020-10-27 Zhan Gao , Fernando Gama , Alejandro Ribeiro

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
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