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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

Continual learning (CL) has shown promising results and comparable performance to learning at once in a fully supervised manner. However, CL strategies typically require a large number of labeled samples, making their real-life deployment…

Machine Learning · Computer Science 2025-01-15 Yan Fan , Yu Wang , Pengfei Zhu , Qinghua Hu

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

Graph representation learning nowadays becomes fundamental in analyzing graph-structured data. Inspired by recent success of contrastive methods, in this paper, we propose a novel framework for unsupervised graph representation learning by…

Machine Learning · Computer Science 2020-07-14 Yanqiao Zhu , Yichen Xu , Feng Yu , Qiang Liu , Shu Wu , Liang Wang

Heterogeneous graph neural networks (HGNNs) have demonstrated their superiority in exploiting auxiliary information for recommendation tasks. However, graphs constructed using meta-paths in HGNNs are usually too dense and contain a large…

Information Retrieval · Computer Science 2025-06-02 Lei Sang , Yu Wang , Yiwen Zhang

Signed graphs are equipped with both positive and negative edge weights, encoding pairwise correlations as well as anti-correlations in data. A balanced signed graph is a signed graph with no cycles containing an odd number of negative…

Machine Learning · Computer Science 2025-06-03 Haruki Yokota , Hiroshi Higashi , Yuichi Tanaka , Gene Cheung

Although graph neural networks (GNNs) have achieved impressive achievements in graph classification, they often need abundant task-specific labels, which could be extensively costly to acquire. A credible solution is to explore additional…

Machine Learning · Computer Science 2025-07-15 Nan Yin , Li Shen , Mengzhu Wang , Long Lan , Zeyu Ma , Chong Chen , Xian-Sheng Hua , Xiao Luo

knowledge graph-based recommendation methods have achieved great success in the field of recommender systems. However, over-reliance on high-quality knowledge graphs is a bottleneck for such methods. Specifically, the long-tailed…

Information Retrieval · Computer Science 2023-10-03 Yubo Gao , Haotian Wu

Graph-based anomaly detection has been widely used for detecting malicious activities in real-world applications. Existing attempts to address this problem have thus far focused on structural feature engineering or learning in the binary…

Machine Learning · Computer Science 2022-08-31 Bo Chen , Jing Zhang , Xiaokang Zhang , Yuxiao Dong , Jian Song , Peng Zhang , Kaibo Xu , Evgeny Kharlamov , Jie Tang

Mental disorder populations exhibit pronounced heterogeneity -- that is, the significant differences between samples -- poses a significant challenge to the definition of positive pairs in contrastive learning. To address this, we propose a…

Machine Learning · Computer Science 2026-03-23 Xiaolong Li , Guiliang Guo , Guangqi Wen , Peng Cao , Jinzhu Yang , Honglin Wu , Xiaoli Liu , Fei Wang , Osmar R. Zaiane

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 Self-Supervised Learning (GSSL) has emerged as a powerful paradigm for generating high-quality representations for graph-structured data. While multi-scale graph contrastive learning has received increasing attention, many existing…

Machine Learning · Computer Science 2026-05-14 Mohamed Mahmoud Amar , Nairouz Mrabah , Mohamed Bouguessa , Abdoulaye Baniré Diallo

We present LaplaceGNN, a novel self-supervised graph learning framework that bypasses the need for negative sampling by leveraging spectral bootstrapping techniques. Our method integrates Laplacian-based signals into the learning process,…

Machine Learning · Computer Science 2025-06-26 Lorenzo Bini , Stephane Marchand-Maillet

For graph self-supervised learning (GSSL), masked autoencoder (MAE) follows the generative paradigm and learns to reconstruct masked graph edges or node features. Contrastive Learning (CL) maximizes the similarity between augmented views of…

Machine Learning · Computer Science 2023-10-25 Yuxiang Wang , Xiao Yan , Chuang Hu , Fangcheng Fu , Wentao Zhang , Hao Wang , Shuo Shang , Jiawei Jiang

Signed graphs with positive and negative edges can model complex relationships in social networks. Leveraging on balance theory that deduces edge signs from multi-hop node pairs, signed graph learning can generate node embeddings that…

Machine Learning · Computer Science 2025-12-15 Haobin Ke , Sen Zhang , Qingqing Ye , Xun Ran , Haibo Hu

Session-based recommendations aim to predict the next behavior of users based on ongoing sessions. The previous works have been modeling the session as a variable-length of a sequence of items and learning the representation of both…

Information Retrieval · Computer Science 2022-09-26 Eunkyu Oh , Taehun Kim , Minsoo Kim , Yunhu Ji , Sushil Khyalia

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) has become a hot topic in the field of graph representation learning. In contrast to traditional supervised learning relying on a large number of labels, GCL exploits augmentation strategies to generate…

Machine Learning · Computer Science 2025-03-28 Jianqing Liang , Xinkai Wei , Min Chen , Zhiqiang Wang , Jiye Liang

Graph contrastive learning (GCL) emerges as the most representative approach for graph representation learning, which leverages the principle of maximizing mutual information (InfoMax) to learn node representations applied in downstream…

Machine Learning · Computer Science 2022-11-22 Yige Yuan , Bingbing Xu , Huawei Shen , Qi Cao , Keting Cen , Wen Zheng , Xueqi Cheng

Graph Contrastive Learning (GCL) has shown promising performance in graph representation learning (GRL) without the supervision of manual annotations. GCL can generate graph-level embeddings by maximizing the Mutual Information (MI) between…

Machine Learning · Computer Science 2022-05-25 Jiawei Sun , Ruoxin Chen , Jie Li , Chentao Wu , Yue Ding , Junchi Yan
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