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Molecular Machine Learning (ML) bears promise for efficient molecule property prediction and drug discovery. However, labeled molecule data can be expensive and time-consuming to acquire. Due to the limited labeled data, it is a great…

机器学习 · 计算机科学 2022-04-01 Yuyang Wang , Jianren Wang , Zhonglin Cao , Amir Barati Farimani

Recently, graph contrastive learning (GCL) has emerged as one of the optimal solutions for node-level and supervised tasks. However, for structure-related and unsupervised tasks such as graph clustering, current GCL algorithms face…

社会与信息网络 · 计算机科学 2025-09-25 Yuecheng Li , Lele Fu , Sheng Huang , Chuan Chen , Lei Yang , Zibin Zheng

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…

机器学习 · 计算机科学 2022-03-14 Yin Fang , Qiang Zhang , Haihong Yang , Xiang Zhuang , Shumin Deng , Wen Zhang , Ming Qin , Zhuo Chen , Xiaohui Fan , Huajun Chen

Recent trends in NLP utilize knowledge graphs (KGs) to enhance pretrained language models by incorporating additional knowledge from the graph structures to learn domain-specific terminology or relationships between documents that might…

计算与语言 · 计算机科学 2025-10-08 Anastasia Zhukova , Jonas Lührs , Christian E. Lobmüller , Bela Gipp

Graph contrastive learning (GCL) has been widely applied to text classification tasks due to its ability to generate self-supervised signals from unlabeled data, thus facilitating model training. However, existing GCL-based text…

机器学习 · 计算机科学 2024-10-25 Wei Ai , Jianbin Li , Ze Wang , Jiayi Du , Tao Meng , Yuntao Shou , Keqin Li

Self-supervision is recently surging at its new frontier of graph learning. It facilitates graph representations beneficial to downstream tasks; but its success could hinge on domain knowledge for handcraft or the often expensive trials and…

机器学习 · 计算机科学 2022-01-06 Yuning You , Tianlong Chen , Zhangyang Wang , Yang Shen

Graph classification is essential for understanding complex biological systems, where molecular structures and interactions are naturally represented as graphs. Traditional graph neural networks (GNNs) perform well on static tasks but…

机器学习 · 计算机科学 2025-10-29 Ding Zhang , Jane Downer , Can Chen , Ren Wang

The self-supervised learning (SSL) paradigm is an essential exploration area, which tries to eliminate the need for expensive data labeling. Despite the great success of SSL methods in computer vision and natural language processing, most…

机器学习 · 计算机科学 2023-09-13 Piotr Bielak , Tomasz Kajdanowicz , Nitesh V. Chawla

Recent work has shown the potential of graph neural networks to efficiently predict material properties, enabling high-throughput screening of materials. Training these models, however, often requires large quantities of labelled data,…

机器学习 · 计算机科学 2022-11-28 Teddy Koker , Keegan Quigley , Will Spaeth , Nathan C. Frey , Lin Li

Graph contrastive learning (GCL) is the most representative and prevalent self-supervised learning approach for graph-structured data. Despite its remarkable success, existing GCL methods highly rely on an augmentation scheme to learn the…

机器学习 · 计算机科学 2022-06-07 Haonan Wang , Jieyu Zhang , Qi Zhu , Wei Huang

Graph classification is a widely studied problem and has broad applications. In many real-world problems, the number of labeled graphs available for training classification models is limited, which renders these models prone to overfitting.…

机器学习 · 计算机科学 2020-09-15 Jiaqi Zeng , Pengtao Xie

Various graph contrastive learning models have been proposed to improve the performance of learning tasks on graph datasets in recent years. While effective and prevalent, these models are usually carefully customized. In particular,…

机器学习 · 计算机科学 2021-11-01 Dongkuan Xu , Wei Cheng , Dongsheng Luo , Haifeng Chen , Xiang Zhang

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…

机器学习 · 计算机科学 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 recently emerged as a promising graph self-supervised learning framework for learning discriminative node representations without labels. The widely adopted objective function of GCL benefits from two…

机器学习 · 计算机科学 2024-11-05 Yunhui Liu , Tieke He , Tao Zheng , Jianhua Zhao

Brain-computer interfaces (BCIs), is ways for electronic devices to communicate directly with the brain. For most medical-type brain-computer interface tasks, the activity of multiple units of neurons or local field potentials is sufficient…

机器学习 · 计算机科学 2022-05-25 Lang Qian , Shengjie Zheng , Chunshan Deng , Cheng Yang , Xiaojian Li

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…

机器学习 · 计算机科学 2023-09-07 Sichao Fu , Qinmu Peng , Yang He , Baokun Du , Xinge You

Graph representation learning is a fundamental research issue and benefits a wide range of applications on graph-structured data. Conventional artificial neural network-based methods such as graph neural networks (GNNs) and variational…

神经与进化计算 · 计算机科学 2022-11-04 Hanxuan Yang , Ruike Zhang , Qingchao Kong , Wenji Mao

Graph Contrastive Learning (GCL) has emerged as a leading paradigm for self-supervised learning on graphs, with strong performance reported on standardized datasets and growing applications ranging from genomics to drug discovery. We ask a…

机器学习 · 计算机科学 2025-09-04 Smayan Khanna , Doruk Efe Gökmen , Risi Kondor , Vincenzo Vitelli

Contrastive learning (CL), which can extract the information shared between different contrastive views, has become a popular paradigm for vision representation learning. Inspired by the success in computer vision, recent work introduces CL…

机器学习 · 计算机科学 2022-12-15 Xumeng Gong , Cheng Yang , Chuan Shi

Given augmented views of each input graph, contrastive learning methods (e.g., InfoNCE) optimize pairwise alignment of graph embeddings across views while providing no mechanism to control the global structure of the view specific…

机器学习 · 计算机科学 2025-12-23 Manh Nguyen