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Recent years have seen a rapid growth of utilizing graph neural networks (GNNs) in the biomedical domain for tackling drug-related problems. However, like any other deep architectures, GNNs are data hungry. While requiring labels in real…

Biological Physics · Physics 2022-05-03 Mengying Sun , Jing Xing , Huijun Wang , Bin Chen , Jiayu Zhou

Graph contrastive learning has emerged as a powerful technique for learning graph representations that are robust and discriminative. However, traditional approaches often neglect the critical role of subgraph structures, particularly the…

Machine Learning · Computer Science 2025-03-14 Tianhao Peng , Xuhong Li , Haitao Yuan , Yuchen Li , Haoyi Xiong

The pretasks are mainly built on mutual information estimation, which requires data augmentation to construct positive samples with similar semantics to learn invariant signals and negative samples with dissimilar semantics in order to…

Machine Learning · Computer Science 2023-03-07 Haifeng Li , Jun Cao , Jiawei Zhu , Qinyao Luo , Silu He , Xuyin Wang

Self-supervised learning on graph-structured data has drawn recent interest for learning generalizable, transferable and robust representations from unlabeled graphs. Among many, graph contrastive learning (GraphCL) has emerged with…

Machine Learning · Computer Science 2021-06-29 Yuning You , Tianlong Chen , Yang Shen , Zhangyang Wang

Despite the success of contrastive learning (CL) in vision and language, its theoretical foundations and mechanisms for building representations remain poorly understood. In this work, we build connections between noise contrastive…

Machine Learning · Computer Science 2025-02-28 Zihao Chen , Chi-Heng Lin , Ran Liu , Jingyun Xiao , Eva L Dyer

Through recognizing causal subgraphs, causal graph learning (CGL) has risen to be a promising approach for improving the generalizability of graph neural networks under out-of-distribution (OOD) scenarios. However, the empirical successes…

Machine Learning · Computer Science 2025-07-02 Yujia Yin , Tianyi Qu , Zihao Wang , Yifan Chen

Unsupervised graph representation learning is a non-trivial topic. The success of contrastive methods in the unsupervised representation learning on structured data inspires similar attempts on the graph. Existing graph contrastive learning…

Machine Learning · Computer Science 2024-04-02 Tianyu Zhang , Yuxiang Ren , Wenzheng Feng , Weitao Du , Xuecang Zhang

Graph Neural Networks (GNNs) have achieved promising performance in semi-supervised node classification in recent years. However, the problem of insufficient supervision, together with representation collapse, largely limits the performance…

Machine Learning · Computer Science 2025-03-07 Xihong Yang , Yiqi Wang , Yue Liu , Yi Wen , Lingyuan Meng , Sihang Zhou , Xinwang Liu , En Zhu

Graph neural networks (GNNs) have been demonstrated to perform well in graph representation learning, but always lacking in generalization capability when tackling out-of-distribution (OOD) data. Graph invariant learning methods, backed by…

Machine Learning · Computer Science 2023-12-19 Tianrui Jia , Haoyang Li , Cheng Yang , Tao Tao , Chuan Shi

Traditional test-time training (TTT) methods, while addressing domain shifts, often assume a consistent class set, limiting their applicability in real-world scenarios characterized by infinite variety. Open-World Test-Time Training (OWTTT)…

Machine Learning · Computer Science 2024-09-17 Houcheng Su , Mengzhu Wang , Jiao Li , Bingli Wang , Daixian Liu , Zeheng Wang

Out-of-distribution (OOD) detection poses a significant challenge for Graph Neural Networks (GNNs), particularly in open-world scenarios with varying distribution shifts. Most existing OOD detection methods on graphs primarily focus on…

Machine Learning · Computer Science 2024-10-24 Zhixia He , Chen Zhao , Minglai Shao , Yujie Lin , Dong Li , Qin Tian

Graph contrastive learning has achieved great success in pre-training graph neural networks without ground-truth labels. Leading graph contrastive learning follows the classical scheme of contrastive learning, forcing model to identify the…

Machine Learning · Computer Science 2024-12-12 Junran Wu , Xueyuan Chen , Shangzhe Li

Graph contrastive learning (GCL), as a popular approach to graph self-supervised learning, has recently achieved a non-negligible effect. To achieve superior performance, the majority of existing GCL methods elaborate on graph data…

Machine Learning · Computer Science 2022-05-03 Yuansheng Wang , Wangbin Sun , Kun Xu , Zulun Zhu , Liang Chen , Zibin Zheng

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

Graph-based collaborative filtering has been established as a prominent approach in recommendation systems, leveraging the inherent graph topology of user-item interactions to model high-order connectivity patterns and enhance…

Information Retrieval · Computer Science 2025-03-21 Fan Huang , Wei Wang

Graph representation learning is fundamental for analyzing graph-structured data. Exploring invariant graph representations remains a challenge for most existing graph representation learning methods. In this paper, we propose a cross-view…

Machine Learning · Computer Science 2025-04-15 Jie Chen , Hua Mao , Wai Lok Woo , Chuanbin Liu , Xi Peng

Graph representation learning has long been an important yet challenging task for various real-world applications. However, their downstream tasks are mainly performed in the settings of supervised or semi-supervised learning. Inspired by…

Machine Learning · Computer Science 2021-04-14 Shiyi Chen , Ziao Wang , Xinni Zhang , Xiaofeng Zhang , Dan Peng

Graph neural networks (GNNs) have achieved impressive performance when testing and training graph data come from identical distribution. However, existing GNNs lack out-of-distribution generalization abilities so that their performance…

Machine Learning · Computer Science 2021-12-15 Haoyang Li , Xin Wang , Ziwei Zhang , Wenwu Zhu

Unsupervised out-of-distribution (OOD) Detection aims to separate the samples falling outside the distribution of training data without label information. Among numerous branches, contrastive learning has shown its excellent capability of…

Computer Vision and Pattern Recognition · Computer Science 2023-02-07 Menglong Chen , Xingtai Gui , Shicai Fan

Recent studies show that graph convolutional network (GCN) often performs worse for low-degree nodes, exhibiting the so-called structural unfairness for graphs with long-tailed degree distributions prevalent in the real world. Graph…

Machine Learning · Computer Science 2022-10-07 Ruijia Wang , Xiao Wang , Chuan Shi , Le Song