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This paper focuses on learning representation on the whole graph level in an unsupervised manner. Learning graph-level representation plays an important role in a variety of real-world issues such as molecule property prediction, protein…

Machine Learning · Computer Science 2024-01-08 Ge Wang , Zelin Zang , Jiangbin Zheng , Jun Xia , Stan Z. Li

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

Temporal Graph Learning, which aims to model the time-evolving nature of graphs, has gained increasing attention and achieved remarkable performance recently. However, in reality, graph structures are often incomplete and noisy, which…

Machine Learning · Computer Science 2023-08-16 Haozhen Zhang , Xueting Han , Xi Xiao , Jing Bai

Graph contrastive learning (GCL) has emerged as a state-of-the-art strategy for learning representations of diverse graphs including social and biomedical networks. GCL widely uses stochastic graph topology augmentation, such as uniform…

Machine Learning · Computer Science 2024-02-22 Yucheng Wu , Leye Wang , Xiao Han , Han-Jia Ye

The graph contrastive learning (GCL) framework has gained remarkable achievements in graph representation learning. However, similar to graph neural networks (GNNs), GCL models are susceptible to graph structural attacks. As an unsupervised…

Machine Learning · Computer Science 2025-08-25 Yulin Zhu , Xing Ai , Yevgeniy Vorobeychik , Kai Zhou

In the domain of recommendation and collaborative filtering, Graph Contrastive Learning (GCL) has become an influential approach. Nevertheless, the reasons for the effectiveness of contrastive learning are still not well understood. In this…

Information Retrieval · Computer Science 2024-10-01 Chengkai Liu , Jianling Wang , James Caverlee

Graph neural networks (GNNs) are a powerful architecture for tackling graph learning tasks, yet have been shown to be oblivious to eminent substructures such as cycles. We present TOGL, a novel layer that incorporates global topological…

Machine Learning · Computer Science 2022-03-18 Max Horn , Edward De Brouwer , Michael Moor , Yves Moreau , Bastian Rieck , Karsten Borgwardt

Graph neural networks (GNNs) have recently emerged as an effective approach to model neighborhood signals in collaborative filtering. Towards this research line, graph contrastive learning (GCL) demonstrates robust capabilities to address…

Information Retrieval · Computer Science 2024-07-22 Xinzhou Jin , Jintang Li , Liang Chen , Chenyun Yu , Yuanzhen Xie , Tao Xie , Chengxiang Zhuo , Zang Li , Zibin Zheng

The recent emergence of contrastive learning approaches facilitates the application on graph representation learning (GRL), introducing graph contrastive learning (GCL) into the literature. These methods contrast semantically similar and…

Machine Learning · Computer Science 2022-06-03 Ganqu Cui , Yufeng Du , Cheng Yang , Jie Zhou , Liang Xu , Xing Zhou , Xingyi Cheng , Zhiyuan Liu

Graph neural network (GNN) is a powerful learning approach for graph-based recommender systems. Recently, GNNs integrated with contrastive learning have shown superior performance in recommendation with their data augmentation schemes,…

Information Retrieval · Computer Science 2023-06-16 Xuheng Cai , Chao Huang , Lianghao Xia , Xubin Ren

Self-supervised learning (SSL) on graphs generates node and graph representations (i.e., embeddings) that can be used for downstream tasks such as node classification, node clustering, and link prediction. Graph SSL is particularly useful…

Machine Learning · Computer Science 2025-09-26 Jiali Chen , Avijit Mukherjee

Heterogeneous Graphs (HGs) effectively model complex relationships in the real world through multi-type nodes and edges. In recent years, inspired by self-supervised learning (SSL), contrastive learning (CL)-based Heterogeneous Graphs…

Machine Learning · Computer Science 2025-05-06 Yu Wang , Lei Sang , Yi Zhang , Yiwen Zhang , Xindong Wu

Graph Neural Networks (GNNs) have emerged as the most powerful weapon for various graph tasks due to the message-passing mechanism's great local information aggregation ability. However, over-smoothing has always hindered GNNs from going…

Machine Learning · Computer Science 2024-03-26 Yundong Sun , Dongjie Zhu , Yansong Wang , Zhaoshuo Tian

Graph augmentations are essential for graph contrastive learning. Most existing works use pre-defined random augmentations, which are usually unable to adapt to different input graphs and fail to consider the impact of different nodes and…

Machine Learning · Computer Science 2023-03-28 Yifu Chen , Qianqian Ren , Liu Yong

The generation of drug-like molecules is crucial for drug design. Existing reinforcement learning (RL) methods often overlook structural information. However, feature engineering-based methods usually merely focus on binding affinity…

Machine Learning · Computer Science 2024-11-25 Xiangyu Zhang

Graph contrastive learning (GCL) has achieved remarkable success by following the computer vision paradigm of preserving absolute similarity between augmented views. However, this approach faces fundamental challenges in graphs due to their…

Machine Learning · Computer Science 2025-05-13 Zhiyuan Ning , Pengfei Wang , Ziyue Qiao , Pengyang Wang , Yuanchun Zhou

Trapped by the label scarcity in molecular property prediction and drug design, graph contrastive learning (GCL) came forward. Leading contrastive learning works show two kinds of view generators, that is, random or learnable data…

Machine Learning · Computer Science 2025-01-16 Xueyuan Chen , Shangzhe Li , Ruomei Liu , Bowen Shi , Jiaheng Liu , Junran Wu , Ke Xu

Graph-level representations are critical in various real-world applications, such as predicting the properties of molecules. But in practice, precise graph annotations are generally very expensive and time-consuming. To address this issue,…

Machine Learning · Computer Science 2022-07-26 Shuai Lin , Pan Zhou , Zi-Yuan Hu , Shuojia Wang , Ruihui Zhao , Yefeng Zheng , Liang Lin , Eric Xing , Xiaodan Liang

Graphs model complex relationships between entities, with nodes and edges capturing intricate connections. Node representation learning involves transforming nodes into low-dimensional embeddings. These embeddings are typically used as…

Machine Learning · Computer Science 2024-11-04 Ying-Chun Lin , Jennifer Neville

Graph contrastive learning (GCL) has emerged as a representative graph self-supervised method, achieving significant success. The currently prevalent optimization objective for GCL is InfoNCE. Typically, it employs augmentation techniques…

Machine Learning · Computer Science 2024-03-22 Yulan Hu , Sheng Ouyang , Jingyu Liu , Ge Chen , Zhirui Yang , Junchen Wan , Fuzheng Zhang , Zhongyuan Wang , Yong Liu