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Among different existing graph self-supervised learning strategies, graph contrastive learning (GCL) has been one of the most prevalent approaches to this problem. Despite the remarkable performance those GCL methods have achieved, existing…

Machine Learning · Computer Science 2022-10-27 Qianlong Wen , Zhongyu Ouyang , Chunhui Zhang , Yiyue Qian , Yanfang Ye , Chuxu Zhang

The search for new high-performance organic semiconducting molecules is challenging due to the vastness of the chemical space, machine learning methods, particularly deep learning models like graph neural networks (GNNs), have shown…

Chemical Physics · Physics 2021-12-06 Zaixi Zhang , Qi Liu , Shengyu Zhang , Chang-Yu Hsieh , Liang Shi , Chee-Kong Lee

Graph Domain Adaptation (GDA) transfers knowledge from labeled source graphs to unlabeled target graphs but is challenged by complex, multi-faceted distributional shifts. Existing methods attempt to reduce distributional shifts by aligning…

Machine Learning · Computer Science 2026-03-19 Wei Chen , Xingyu Guo , Shuang Li , Zhao Zhang , Yan Zhong , Fuzhen Zhuang , Deqing wang

Accurate feature matching and correspondence in endoscopic images play a crucial role in various clinical applications, including patient follow-up and rapid anomaly localization through panoramic image generation. However, developing…

Computer Vision and Pattern Recognition · Computer Science 2023-06-21 Manel Farhat , Achraf Ben-Hamadou

Self-supervised learning (SSL) is an emerging paradigm that exploits supervisory signals generated from the data itself, and many recent studies have leveraged SSL to conduct graph anomaly detection. However, we empirically found that three…

Machine Learning · Computer Science 2025-07-01 Zhong Li , Yuhang Wang , Matthijs van Leeuwen

Graph Convolutional Networks (GCNs) show promising results for semi-supervised learning tasks on graphs, thus become favorable comparing with other approaches. Despite the remarkable success of GCNs, it is difficult to train GCNs with…

Machine Learning · Computer Science 2020-08-14 Xianfeng Tang , Huaxiu Yao , Yiwei Sun , Yiqi Wang , Jiliang Tang , Charu Aggarwal , Prasenjit Mitra , Suhang Wang

End-to-end training of graph neural networks (GNN) on large graphs presents several memory and computational challenges, and limits the application to shallow architectures as depth exponentially increases the memory and space complexities.…

Machine Learning · Computer Science 2023-09-06 Oscar Pina , Verónica Vilaplana

In recent years, graph neural networks (GNNs) have facilitated the development of graph data mining. However, training GNNs requires sufficient labeled task-specific data, which is expensive and sometimes unavailable. To be less dependent…

Machine Learning · Computer Science 2025-10-15 Shengyin Sun , Chen Ma , Jiehao Chen

Graph neural networks (GNNs) achieve remarkable success in graph-based semi-supervised node classification, leveraging the information from neighboring nodes to improve the representation learning of target node. The success of GNNs at node…

Machine Learning · Computer Science 2020-07-28 Bingbing Xu , Junjie Huang , Liang Hou , Huawei Shen , Jinhua Gao , Xueqi Cheng

Graph Comparative Learning (GCL) is a self-supervised method that combines the advantages of Graph Convolutional Networks (GCNs) and comparative learning, making it promising for learning node representations. However, the GCN encoders used…

Machine Learning · Computer Science 2023-12-12 Ruyue Liu , Rong Yin , Yong Liu , Weiping Wang

The advent of graph convolutional network (GCN)-based multi-view learning provides a powerful framework for integrating structural information from heterogeneous views, enabling effective modeling of complex multi-view data. However,…

Machine Learning · Computer Science 2025-12-17 Huaiyuan Xiao , Fadi Dornaika , Jingjun Bi

We explore the downstream task performances for graph neural network (GNN) self-supervised learning (SSL) methods trained on subgraphs extracted from relational databases (RDBs). Intuitively, this joint use of SSL and GNNs should allow to…

Machine Learning · Computer Science 2023-02-10 Shengchao Liu , David Vazquez , Jian Tang , Pierre-André Noël

Deep Convolutional Neural Networks (CNN) enforces supervised information only at the output layer, and hidden layers are trained by back propagating the prediction error from the output layer without explicit supervision. We propose a…

Computer Vision and Pattern Recognition · Computer Science 2016-06-07 Zhuolin Jiang , Yaming Wang , Larry Davis , Walt Andrews , Viktor Rozgic

Self-supervised learning has gradually emerged as a powerful technique for graph representation learning. However, transferable, generalizable, and robust representation learning on graph data still remains a challenge for pre-training…

Machine Learning · Computer Science 2021-12-13 Pengyong Li , Jun Wang , Ziliang Li , Yixuan Qiao , Xianggen Liu , Fei Ma , Peng Gao , Seng Song , Guotong Xie

Learning node-level representations of heterophilic graphs is crucial for various applications, including fraudster detection and protein function prediction. In such graphs, nodes share structural similarity identified by the equivalence…

Machine Learning · Computer Science 2023-08-22 Asif Khan , Amos Storkey

Graphs have become an important modeling tool for web applications, and Graph Neural Networks (GNNs) have achieved great success in graph representation learning. However, the performance of traditional GNNs heavily relies on a large amount…

Machine Learning · Computer Science 2024-06-05 Chenghua Gong , Xiang Li , Jianxiang Yu , Cheng Yao , Jiaqi Tan , Chengcheng Yu

Graph neural networks (GNNs) have emerged as a powerful model to capture critical graph patterns. Instead of treating them as black boxes in an end-to-end fashion, attempts are arising to explain the model behavior. Existing works mainly…

Machine Learning · Computer Science 2024-02-22 Yi Nian , Yurui Chang , Wei Jin , Lu Lin

Graph contrastive learning (GCL) learns node and graph representations by contrasting multiple views of the same graph. Existing methods typically rely on fixed, handcrafted views-usually a local and a global perspective, which limits their…

Machine Learning · Computer Science 2026-05-12 Yanan Zhao , Feng Ji , Jingyang Dai , Jiaze Ma , Keyue Jiang , Kai Zhao , Wee Peng Tay

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

This paper introduces a novel approach that integrates graph theory into self-supervised representation learning. Traditional methods focus on intra-instance variations generated by applying augmentations. However, they often overlook…

Computer Vision and Pattern Recognition · Computer Science 2025-10-28 Ali Javidani , Babak Nadjar Araabi , Mohammad Amin Sadeghi