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Graph-level representations (and clustering/classification based on these representations) are required in a variety of applications. Examples include identifying malicious network traffic, prediction of protein properties, and many others.…

Machine Learning · Computer Science 2024-11-20 Xiang Li , Gagan Agrawal , Rajiv Ramnath , Ruoming Jin

Self-supervised learning (SSL) is a method that learns the data representation by utilizing supervision inherent in the data. This learning method is in the spotlight in the drug field, lacking annotated data due to time-consuming and…

Biomolecules · Quantitative Biology 2022-08-19 Kisung Moon , Sunyoung Kwon

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

Drug-target binding affinity prediction plays an important role in the early stages of drug discovery, which can infer the strength of interactions between new drugs and new targets. However, the performance of previous computational models…

Machine Learning · Computer Science 2023-07-19 Xinxing Yang , Genke Yang , Jian Chu

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 contrastive learning (GCL) aims to learn representations from unlabeled graph data in a self-supervised manner and has developed rapidly in recent years. However, edgelevel contrasts are not well explored by most existing GCL methods.…

Machine Learning · Computer Science 2024-12-17 Yujun Li , Hongyuan Zhang , Yuan Yuan

Graph Contrastive Learning (GCL) has shown strong promise for unsupervised graph representation learning, yet its effectiveness on heterophilic graphs, where connected nodes often belong to different classes, remains limited. Most existing…

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

Graphs serve as versatile data structures in numerous real-world domains-including social networks, molecular biology, and knowledge graphs-by capturing intricate relational information among entities. Among graph-based learning techniques,…

Machine Learning · Computer Science 2025-05-21 Chou-Ying Hsieh , Chun-Fu Jang , Cheng-En Hsieh , Qian-Hui Chen , Sy-Yen Kuo

Recent advances in unsupervised deep graph clustering have been significantly promoted by contrastive learning. Despite the strides, most graph contrastive learning models face challenges: 1) graph augmentation is used to improve learning…

Machine Learning · Computer Science 2024-08-23 Chusheng Zeng , Bocheng Wang , Jinghui Yuan , Rong Wang , Mulin Chen

Graph Contrastive Learning (GCL) has recently made progress as an unsupervised graph representation learning paradigm. GCL approaches can be categorized into augmentation-based and augmentation-free methods. The former relies on complex…

Machine Learning · Computer Science 2025-04-25 Yanan Zhao , Feng Ji , Kai Zhao , Xuhao Li , Qiyu Kang , Wenfei Liang , Yahya Alkhatib , Xingchao Jian , Wee Peng Tay

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

Graph Contrastive Learning (GCL), learning the node representations by augmenting graphs, has attracted considerable attentions. Despite the proliferation of various graph augmentation strategies, some fundamental questions still remain…

Machine Learning · Computer Science 2022-10-06 Nian Liu , Xiao Wang , Deyu Bo , Chuan Shi , Jian Pei

Graph contrastive learning (GCL) has emerged as a representative paradigm in graph self-supervised learning, where negative samples are commonly regarded as the key to preventing model collapse and producing distinguishable representations.…

Machine Learning · Computer Science 2023-12-06 Wangbin Sun , Jintang Li , Liang Chen , Bingzhe Wu , Yatao Bian , Zibin Zheng

Graph clustering is a crucial task in network analysis with widespread applications, focusing on partitioning nodes into distinct groups with stronger intra-group connections than inter-group ones. Recently, contrastive learning has…

Machine Learning · Computer Science 2024-08-20 Xunlian Wu , Jingqi Hu , Anqi Zhang , Yining Quan , Qiguang Miao , Peng Gang Sun

Graph representation learning has emerged as a powerful technique for addressing real-world problems. Various downstream graph learning tasks have benefited from its recent developments, such as node classification, similarity search, and…

Machine Learning · Computer Science 2020-07-03 Jiezhong Qiu , Qibin Chen , Yuxiao Dong , Jing Zhang , Hongxia Yang , Ming Ding , Kuansan Wang , Jie Tang

This paper targets at improving the generalizability of hypergraph neural networks in the low-label regime, through applying the contrastive learning approach from images/graphs (we refer to it as HyperGCL). We focus on the following…

Machine Learning · Computer Science 2022-10-11 Tianxin Wei , Yuning You , Tianlong Chen , Yang Shen , Jingrui He , Zhangyang Wang

Graph contrastive learning (GCL) has demonstrated great promise for learning generalizable graph representations from unlabeled data. However, conventional GCL approaches face two critical limitations: (1) the restricted expressive capacity…

Machine Learning · Computer Science 2025-08-11 Zihu Wang , Boxun Xu , Hejia Geng , Peng Li

Graph neural networks (GNNs) demonstrate great performance in compound property and activity prediction due to their capability to efficiently learn complex molecular graph structures. However, two main limitations persist including…

Biomolecules · Quantitative Biology 2023-10-10 Apakorn Kengkanna , Masahito Ohue

Graph augmentation with contrastive learning has gained significant attention in the field of recommendation systems due to its ability to learn expressive user representations, even when labeled data is limited. However, directly applying…

Machine Learning · Computer Science 2024-03-26 Qianru Zhang , Lianghao Xia , Xuheng Cai , Siuming Yiu , Chao Huang , Christian S. Jensen

Inspired by the impressive success of contrastive learning (CL), a variety of graph augmentation strategies have been employed to learn node representations in a self-supervised manner. Existing methods construct the contrastive samples by…

Machine Learning · Computer Science 2022-12-14 Peiyao Zhao , Yuangang Pan , Xin Li , Xu Chen , Ivor W. Tsang , Lejian Liao