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Inspired by the recent success of self-supervised methods applied on images, self-supervised learning on graph structured data has seen rapid growth especially centered on augmentation-based contrastive methods. However, we argue that…

Machine Learning · Computer Science 2021-12-08 Namkyeong Lee , Junseok Lee , Chanyoung Park

Recently many efforts have been devoted to applying graph neural networks (GNNs) to molecular property prediction which is a fundamental task for computational drug and material discovery. One of major obstacles to hinder the successful…

Machine Learning · Computer Science 2021-09-27 Shuangli Li , Jingbo Zhou , Tong Xu , Dejing Dou , Hui Xiong

Heterogeneous graphs can well describe the complex entity relationships in the real world. For example, online shopping networks contain multiple physical types of consumers and products, as well as multiple relationship types such as…

Machine Learning · Computer Science 2024-07-02 Jing Zhang , Xiaoqian Jiang , Yingjie Xie , Cangqi Zhou

In recent years, graph neural networks (GNN) have achieved significant developments in a variety of graph analytical tasks. Nevertheless, GNN's superior performance will suffer from serious damage when the collected node features or…

Machine Learning · Computer Science 2023-09-07 Sichao Fu , Qinmu Peng , Yang He , Baokun Du , Xinge You

Although augmentations (e.g., perturbation of graph edges, image crops) boost the efficiency of Contrastive Learning (CL), feature level augmentation is another plausible, complementary yet not well researched strategy. Thus, we present a…

Machine Learning · Computer Science 2022-12-05 Yifei Zhang , Hao Zhu , Zixing Song , Piotr Koniusz , Irwin King

Graph contrastive learning (GCL) improves graph representation learning, leading to SOTA on various downstream tasks. The graph augmentation step is a vital but scarcely studied step of GCL. In this paper, we show that the node embedding…

Machine Learning · Computer Science 2022-06-14 Yifei Zhang , Hao Zhu , Zixing Song , Piotr Koniusz , Irwin King

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 (GCL) aims to contrast positive-negative counterparts to learn the node embeddings, whereas graph data augmentation methods are employed to generate these positive-negative samples. The variation, quantity, and…

Machine Learning · Computer Science 2025-03-05 Adnan Ali , Jinlong Li , Huanhuan Chen , Ali Kashif Bashir

This paper introduces a fine-grained contrastive learning scheme for unsupervised node clustering. Previous clustering methods only focus on a small feature set (class-dependent features), which demonstrates explicit clustering…

Social and Information Networks · Computer Science 2024-09-13 Hang Cui , Tarek Abdelzaher

Contrastive learning (CL) recently has spurred a fruitful line of research in the field of recommendation, since its ability to extract self-supervised signals from the raw data is well-aligned with recommender systems' needs for tackling…

Information Retrieval · Computer Science 2022-05-10 Junliang Yu , Hongzhi Yin , Xin Xia , Tong Chen , Lizhen Cui , Quoc Viet Hung Nguyen

The rise of self-supervised learning, which operates without the need for labeled data, has garnered significant interest within the graph learning community. This enthusiasm has led to the development of numerous Graph Contrastive Learning…

Machine Learning · Computer Science 2024-02-27 Qian Ma , Hongliang Chi , Hengrui Zhang , Kay Liu , Zhiwei Zhang , Lu Cheng , Suhang Wang , Philip S. Yu , Yao Ma

Molecular representation learning contributes to multiple downstream tasks such as molecular property prediction and drug design. To properly represent molecules, graph contrastive learning is a promising paradigm as it utilizes…

Machine Learning · Computer Science 2022-03-14 Yin Fang , Qiang Zhang , Haihong Yang , Xiang Zhuang , Shumin Deng , Wen Zhang , Ming Qin , Zhuo Chen , Xiaohui Fan , Huajun Chen

Recently, some contrastive learning methods have been proposed to simultaneously learn representations and clustering assignments, achieving significant improvements. However, these methods do not take the category information and…

Computer Vision and Pattern Recognition · Computer Science 2021-04-06 Huasong Zhong , Jianlong Wu , Chong Chen , Jianqiang Huang , Minghua Deng , Liqiang Nie , Zhouchen Lin , Xian-Sheng Hua

Graph Contrastive Learning (GCL) has emerged as a popular training approach for learning node embeddings from augmented graphs without labels. Despite the key principle that maximizing the similarity between positive node pairs while…

Machine Learning · Computer Science 2024-05-27 Yue Yu , Xiao Wang , Mengmei Zhang , Nian Liu , Chuan Shi

Advanced graph neural networks have shown great potentials in graph classification tasks recently. Different from node classification where node embeddings aggregated from local neighbors can be directly used to learn node labels, graph…

Machine Learning · Computer Science 2022-03-16 Hao Jia , Junzhong Ji , Minglong Lei

Existing graph contrastive learning (GCL) techniques typically require two forward passes for a single instance to construct the contrastive loss, which is effective for capturing the low-frequency signals of node features. Such a dual-pass…

Machine Learning · Computer Science 2023-11-21 Haonan Wang , Jieyu Zhang , Qi Zhu , Wei Huang , Kenji Kawaguchi , Xiaokui Xiao

Graph Convolutional Network (GCN) has exhibited remarkable potential in improving graph-based clustering. To handle the general clustering scenario without a prior graph, these models estimate an initial graph beforehand to apply GCN.…

Machine Learning · Computer Science 2024-04-04 Mulin Chen , Bocheng Wang , Xuelong Li

Graph classification has gained significant attention due to its applications in chemistry, social networks, and bioinformatics. While Graph Neural Networks (GNNs) effectively capture local structural patterns, they often overlook global…

Machine Learning · Computer Science 2025-12-03 Ahmet Sami Korkmaz , Selim Coskunuzer , Md Joshem Uddin

Contrastive self-supervised learning has been successfully used in many domains, such as images, texts, graphs, etc., to learn features without requiring label information. In this paper, we propose a new local contrastive feature learning…

Machine Learning · Computer Science 2022-11-22 Zhabiz Gharibshah , Xingquan Zhu

Contrastive learning (CL) has become a powerful approach for learning representations from unlabeled images. However, existing CL methods focus predominantly on visual appearance features while neglecting topological characteristics (e.g.,…

Computer Vision and Pattern Recognition · Computer Science 2026-03-17 Guangyu Meng , Pengfei Gu , Peixian Liang , John P. Lalor , Erin Wolf Chambers , Danny Z. Chen