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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

Feature quality is paramount for classification performance, particularly in few-shot scenarios. Contrastive learning, a widely adopted technique for enhancing feature quality, leverages sample relations to extract intrinsic features that…

Computer Vision and Pattern Recognition · Computer Science 2025-01-24 Guowei Yin , Sheng Huang , Luwen Huangfu , Yi Zhang , Xiaohong Zhang

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

We address the problem of few-shot semantic segmentation (FSS), which aims to segment novel class objects in a target image with a few annotated samples. Though recent advances have been made by incorporating prototype-based metric…

Computer Vision and Pattern Recognition · Computer Science 2021-11-10 Hyeongjun Kwon , Somi Jeong , Sunok Kim , Kwanghoon Sohn

Tremendous breakthroughs have been developed in Semi-Supervised Semantic Segmentation (S4) through contrastive learning. However, due to limited annotations, the guidance on unlabeled images is generated by the model itself, which…

Computer Vision and Pattern Recognition · Computer Science 2024-02-29 Haoyu Xie , Changqi Wang , Jian Zhao , Yang Liu , Jun Dan , Chong Fu , Baigui Sun

Deep learning has been a prevalence in computational chemistry and widely implemented in molecule property predictions. Recently, self-supervised learning (SSL), especially contrastive learning (CL), gathers growing attention for the…

Machine Learning · Computer Science 2022-06-01 Yuyang Wang , Rishikesh Magar , Chen Liang , Amir Barati Farimani

Contrastive learning is a representation learning method performed by contrasting a sample to other similar samples so that they are brought closely together, forming clusters in the feature space. The learning process is typically…

Machine Learning · Computer Science 2022-09-28 Valentino Vito , Lim Yohanes Stefanus

Accurate molecular property prediction requires integrating complementary information from molecular structure and chemical semantics. In this work, we propose LGM-CL, a local-global multimodal contrastive learning framework that jointly…

Machine Learning · Computer Science 2026-02-02 Xiayu Liu , Zhengyi Lu , Yunhong Liao , Chan Fan , Hou-biao Li

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,…

Machine Learning · Computer Science 2022-11-28 Teddy Koker , Keegan Quigley , Will Spaeth , Nathan C. Frey , Lin Li

Contrastive learning has achieved promising performance in the field of multi-view clustering recently. However, the positive and negative sample construction mechanisms ignoring semantic consistency lead to false negative pairs, limiting…

Computer Vision and Pattern Recognition · Computer Science 2024-03-12 Siwen Liu , Jinyan Liu , Hanning Yuan , Qi Li , Jing Geng , Ziqiang Yuan , Huaxu Han

Multi-label image classification presents a challenging task in many domains, including computer vision and medical imaging. Recent advancements have introduced graph-based and transformer-based methods to improve performance and capture…

Computer Vision and Pattern Recognition · Computer Science 2024-04-15 Ahmad Sajedi , Samir Khaki , Yuri A. Lawryshyn , Konstantinos N. Plataniotis

Molecular property prediction is a key component of AI-driven drug discovery and molecular characterization learning. Despite recent advances, existing methods still face challenges such as limited ability to generalize, and inadequate…

Machine Learning · Computer Science 2024-09-26 Zexing Zhao , Guangsi Shi , Xiaopeng Wu , Ruohua Ren , Xiaojun Gao , Fuyi Li

This paper presents a self-supervised feature learning method for hyperspectral image classification. Our method tries to construct two different views of the raw hyperspectral image through a cross-representation learning method. And then…

Computer Vision and Pattern Recognition · Computer Science 2024-12-05 Anyu Zhang , Haotian Wu , Zeyu Cao

Contrastive Analysis is a sub-field of Representation Learning that aims at separating common factors of variation between two datasets, a background (i.e., healthy subjects) and a target (i.e., diseased subjects), from the salient factors…

Computer Vision and Pattern Recognition · Computer Science 2024-02-20 Robin Louiset , Edouard Duchesnay , Antoine Grigis , Pietro Gori

Contrastive learning has been widely applied to graph representation learning, where the view generators play a vital role in generating effective contrastive samples. Most of the existing contrastive learning methods employ pre-defined…

Machine Learning · Computer Science 2022-01-04 Yihang Yin , Qingzhong Wang , Siyu Huang , Haoyi Xiong , Xiang Zhang

Molecular property prediction, crucial for early drug candidate screening and optimization, has seen advancements with deep learning-based methods. While deep learning-based methods have advanced considerably, they often fall short in fully…

Biomolecules · Quantitative Biology 2024-07-01 Taojie Kuang , Yiming Ren , Zhixiang Ren

Language-supervised vision models have recently attracted great attention in computer vision. A common approach to build such models is to use contrastive learning on paired data across the two modalities, as exemplified by Contrastive…

Machine Learning · Computer Science 2023-03-16 Ryumei Nakada , Halil Ibrahim Gulluk , Zhun Deng , Wenlong Ji , James Zou , Linjun Zhang

Learning view-invariant representation is a key to improving feature discrimination power for skeleton-based action recognition. Existing approaches cannot effectively remove the impact of viewpoint due to the implicit view-dependent…

Computer Vision and Pattern Recognition · Computer Science 2023-04-04 Qianhui Men , Edmond S. L. Ho , Hubert P. H. Shum , Howard Leung

Predicting socioeconomic indicators within urban regions is crucial for fostering inclusivity, resilience, and sustainability in cities and human settlements. While pioneering studies have attempted to leverage multi-modal data for…

Computer Vision and Pattern Recognition · Computer Science 2026-01-30 Xixian Yong , Xiao Zhou

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
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