English
Related papers

Related papers: Extracting Molecular Properties from Natural Langu…

200 papers

Contrastive learning has become one of the most impressive approaches for multi-modal representation learning. However, previous multi-modal works mainly focused on cross-modal understanding, ignoring in-modal contrastive learning, which…

Machine Learning · Computer Science 2024-09-17 Zhiyu Zhang , Da Liu , Shengqiang Liu , Anna Wang , Jie Gao , Yali Li

How can neural networks trained by contrastive learning extract features from the unlabeled data? Why does contrastive learning usually need much stronger data augmentations than supervised learning to ensure good representations? These…

Machine Learning · Computer Science 2021-07-06 Zixin Wen , Yuanzhi Li

Representation learning methods utilizing the InfoNCE loss have demonstrated considerable capacity in reducing human annotation effort by training invariant neural feature extractors. Although different variants of the training objective…

Computer Vision and Pattern Recognition · Computer Science 2025-11-04 Hanyang Chen , Yanchao Yang

Attribute reconstruction is used to predict node or edge features in the pre-training of graph neural networks. Given a large number of molecules, they learn to capture structural knowledge, which is transferable for various downstream…

Machine Learning · Computer Science 2025-01-27 Eric Inae , Gang Liu , Meng Jiang

Cross-modal information retrieval aims to find heterogeneous data of various modalities from a given query of one modality. The main challenge is to map different modalities into a common semantic space, in which distance between concepts…

Information Retrieval · Computer Science 2018-02-14 Jing Yu , Yuhang Lu , Zengchang Qin , Yanbing Liu , Jianlong Tan , Li Guo , Weifeng Zhang

In this paper, we investigate whether artificial agents can develop a shared language in an ecological setting where communication relies on a sensory-motor channel. To this end, we introduce the Graphical Referential Game (GREG) where a…

Artificial Intelligence · Computer Science 2023-02-15 Tristan Karch , Yoann Lemesle , Romain Laroche , Clément Moulin-Frier , Pierre-Yves Oudeyer

Contrastive learning has become a key component of self-supervised learning approaches for graph-structured data. Despite their success, existing graph contrastive learning methods are incapable of uncertainty quantification for node…

We study how to generate molecule conformations (i.e., 3D structures) from a molecular graph. Traditional methods, such as molecular dynamics, sample conformations via computationally expensive simulations. Recently, machine learning…

Machine Learning · Computer Science 2021-04-01 Minkai Xu , Shitong Luo , Yoshua Bengio , Jian Peng , Jian Tang

Dense retrieval (DR) has shown promising results in information retrieval. In essence, DR requires high-quality text representations to support effective search in the representation space. Recent studies have shown that pre-trained…

Information Retrieval · Computer Science 2022-08-23 Xinyu Ma , Ruqing Zhang , Jiafeng Guo , Yixing Fan , Xueqi Cheng

Contrastive learning is an approach to representation learning that utilizes naturally occurring similar and dissimilar pairs of data points to find useful embeddings of data. In the context of document classification under topic modeling…

Machine Learning · Computer Science 2020-03-05 Christopher Tosh , Akshay Krishnamurthy , Daniel Hsu

Medical report generation is a challenging task since it is time-consuming and requires expertise from experienced radiologists. The goal of medical report generation is to accurately capture and describe the image findings. Previous works…

Computer Vision and Pattern Recognition · Computer Science 2023-01-10 Yu-Jen Chen , Wei-Hsiang Shen , Hao-Wei Chung , Ching-Hao Chiu , Da-Cheng Juan , Tsung-Ying Ho , Chi-Tung Cheng , Meng-Lin Li , Tsung-Yi Ho

How can we learn unified representations for spoken utterances and their written text? Learning similar representations for semantically similar speech and text is important for speech translation. To this end, we propose ConST, a…

Computation and Language · Computer Science 2022-05-06 Rong Ye , Mingxuan Wang , Lei Li

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

Designing a neural network architecture for molecular representation is crucial for AI-driven drug discovery and molecule design. In this work, we propose a new framework for molecular representation learning. Our contribution is threefold:…

Machine Learning · Computer Science 2022-10-18 Jiye Kim , Seungbeom Lee , Dongwoo Kim , Sungsoo Ahn , Jaesik Park

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

We show that bringing intermediate layers' representations of two augmented versions of an image closer together in self-supervised learning helps to improve the momentum contrastive (MoCo) method. To this end, in addition to the…

Computer Vision and Pattern Recognition · Computer Science 2021-10-29 Aakash Kaku , Sahana Upadhya , Narges Razavian

Human Activity Recognition is a field of research where input data can take many forms. Each of the possible input modalities describes human behaviour in a different way, and each has its own strengths and weaknesses. We explore the…

Computer Vision and Pattern Recognition · Computer Science 2022-10-07 Razvan Brinzea , Bulat Khaertdinov , Stylianos Asteriadis

Pre-trained Language Models (PLMs) have achieved remarkable performance gains across numerous downstream tasks in natural language understanding. Various Chinese PLMs have been successively proposed for learning better Chinese language…

Computation and Language · Computer Science 2022-09-16 Borun Chen , Hongyin Tang , Jiahao Bu , Kai Zhang , Jingang Wang , Qifan Wang , Hai-Tao Zheng , Wei Wu , Liqian Yu

This work considers supervised contrastive learning for semantic segmentation. We apply contrastive learning to enhance the discriminative power of the multi-scale features extracted by semantic segmentation networks. Our key methodological…

Computer Vision and Pattern Recognition · Computer Science 2022-07-21 Theodoros Pissas , Claudio S. Ravasio , Lyndon Da Cruz , Christos Bergeles

Graph contrastive learning (GCL) has emerged as a state-of-the-art strategy for learning representations of diverse graphs including social and biomedical networks. GCL widely uses stochastic graph topology augmentation, such as uniform…

Machine Learning · Computer Science 2024-02-22 Yucheng Wu , Leye Wang , Xiao Han , Han-Jia Ye