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Molecular representation learning (MRL) is a key step to build the connection between machine learning and chemical science. In particular, it encodes molecules as numerical vectors preserving the molecular structures and features, on top…

Quantitative Methods · Quantitative Biology 2023-11-30 Zhichun Guo , Kehan Guo , Bozhao Nan , Yijun Tian , Roshni G. Iyer , Yihong Ma , Olaf Wiest , Xiangliang Zhang , Wei Wang , Chuxu Zhang , Nitesh V. Chawla

Learning joint embedding space for various modalities is of vital importance for multimodal fusion. Mainstream modality fusion approaches fail to achieve this goal, leaving a modality gap which heavily affects cross-modal fusion. In this…

Computer Vision and Pattern Recognition · Computer Science 2020-12-11 Sijie Mai , Haifeng Hu , Songlong Xing

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

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

Multimodal emotion recognition in conversation (MERC) seeks to identify the speakers' emotions expressed in each utterance, offering significant potential across diverse fields. The challenge of MERC lies in balancing speaker modeling and…

Multimedia · Computer Science 2025-07-25 Zijian Yi , Ziming Zhao , Zhishu Shen , Tiehua Zhang

Recent works of music representation learning mainly focus on learning acoustic music representations with unlabeled audios or further attempt to acquire multi-modal music representations with scarce annotated audio-text pairs. They either…

Sound · Computer Science 2025-05-30 Xiaofeng Pan , Jing Chen , Haitong Zhang , Menglin Xing , Jiayi Wei , Xuefeng Mu , Zhongqian Xie

Multimodal learning seeks to integrate information from heterogeneous sources, where signals may be shared across modalities, specific to individual modalities, or emerge only through their interaction. While self-supervised multimodal…

Machine Learning · Computer Science 2026-02-17 Carolin Cissee , Raneen Younis , Zahra Ahmadi

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

The graph contrastive learning (GCL) framework has gained remarkable achievements in graph representation learning. However, similar to graph neural networks (GNNs), GCL models are susceptible to graph structural attacks. As an unsupervised…

Machine Learning · Computer Science 2025-08-25 Yulin Zhu , Xing Ai , Yevgeniy Vorobeychik , Kai Zhou

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 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…

Machine Learning · Computer Science 2024-11-05 Yunhui Liu , Tieke He , Tao Zheng , Jianhua Zhao

Hierarchical classification is a crucial task in many applications, where objects are organized into multiple levels of categories. However, conventional classification approaches often neglect inherent inter-class relationships at…

Computer Vision and Pattern Recognition · Computer Science 2025-10-02 Julius Ott , Nastassia Vysotskaya , Huawei Sun , Lorenzo Servadei , Robert Wille

In the domain of recommendation and collaborative filtering, Graph Contrastive Learning (GCL) has become an influential approach. Nevertheless, the reasons for the effectiveness of contrastive learning are still not well understood. In this…

Information Retrieval · Computer Science 2024-10-01 Chengkai Liu , Jianling Wang , James Caverlee

Graph representation learning (GRL) methods, such as graph neural networks and graph transformer models, have been successfully used to analyze graph-structured data, mainly focusing on node classification and link prediction tasks.…

Machine Learning · Computer Science 2023-08-21 Van Thuy Hoang , O-Joun Lee

This paper presents Prototypical Contrastive Learning (PCL), an unsupervised representation learning method that addresses the fundamental limitations of instance-wise contrastive learning. PCL not only learns low-level features for the…

Computer Vision and Pattern Recognition · Computer Science 2021-03-31 Junnan Li , Pan Zhou , Caiming Xiong , Steven C. H. Hoi

Universal graph pre-training has emerged as a key paradigm in graph representation learning, offering a promising way to train encoders to learn transferable representations from unlabeled graphs and to effectively generalize across a wide…

Machine Learning · Computer Science 2026-02-27 Lianze Shan , Jitao Zhao , Dongxiao He , Yongqi Huang , Zhiyong Feng , Weixiong Zhang

Temporal Graph Learning (TGL) is crucial for capturing the evolving nature of stock markets. Traditional methods often ignore the interplay between dynamic temporal changes and static relational structures between stocks. To address this…

Machine Learning · Computer Science 2025-03-04 Yunhua Pei , Jin Zheng , John Cartlidge

Contrastive learning (CL) aims to learn useful representation without relying on expert annotations in the context of medical image segmentation. Existing approaches mainly contrast a single positive vector (i.e., an augmentation of the…

Computer Vision and Pattern Recognition · Computer Science 2022-03-08 Chenyu You , Ruihan Zhao , Lawrence Staib , James S. Duncan

Developing effective path representations has become increasingly essential across various fields within intelligent transportation. Although pre-trained path representation learning models have shown improved performance, they…

Machine Learning · Computer Science 2025-01-03 Ronghui Xu , Hanyin Cheng , Chenjuan Guo , Hongfan Gao , Jilin Hu , Sean Bin Yang , Bin Yang

Dynamic graph modeling has recently attracted much attention due to its extensive applications in many real-world scenarios, such as recommendation systems, financial transactions, and social networks. Although many works have been proposed…

Machine Learning · Computer Science 2021-05-18 Lu Wang , Xiaofu Chang , Shuang Li , Yunfei Chu , Hui Li , Wei Zhang , Xiaofeng He , Le Song , Jingren Zhou , Hongxia Yang
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