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Related papers: DrugCLIP: Contrastive Protein-Molecule Representat…

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Cross-modal retrieval is the task of retrieving samples of a given modality by using queries of a different one. Due to the wide range of practical applications, the problem has been mainly focused on the vision and language case, e.g. text…

Computer Vision and Pattern Recognition · Computer Science 2024-01-30 Jorge Sánchez , Rodrigo Laguna

Protein-ligand binding is the process by which a small molecule (drug or inhibitor) attaches to a target protein. Binding affinity, which characterizes the strength of biomolecular interactions, is essential for tackling diverse challenges…

The effects of ligand binding on protein structures and their in vivo functions carry numerous implications for modern biomedical research and biotechnology development efforts such as drug discovery. Although several deep learning (DL)…

Machine Learning · Computer Science 2026-03-24 Alex Morehead , Nabin Giri , Jian Liu , Pawan Neupane , Jianlin Cheng

Image-text contrastive learning models such as CLIP have demonstrated strong task transfer ability. The high generality and usability of these visual models is achieved via a web-scale data collection process to ensure broad concept…

Computer Vision and Pattern Recognition · Computer Science 2023-01-18 Haotian Liu , Kilho Son , Jianwei Yang , Ce Liu , Jianfeng Gao , Yong Jae Lee , Chunyuan Li

This paper presents SimCLR: a simple framework for contrastive learning of visual representations. We simplify recently proposed contrastive self-supervised learning algorithms without requiring specialized architectures or a memory bank.…

Machine Learning · Computer Science 2020-07-02 Ting Chen , Simon Kornblith , Mohammad Norouzi , Geoffrey Hinton

Accurate drug-target interaction (DTI) prediction is essential for computational drug discovery, yet existing models often rely on single-modality predefined molecular descriptors or sequence-based embeddings with limited…

Virtual screening (VS) is an essential technique for understanding biomolecular interactions, particularly, drug design and discovery. The best-performing VS models depend vitally on three-dimensional (3D) structures, which are not…

Biomolecules · Quantitative Biology 2022-12-29 Li Shen , Hongsong Feng , Yuchi Qiu , Guo-Wei Wei

Contrastive language-image pretraining (CLIP) links vision and language modalities into a unified embedding space, yielding the tremendous potential for vision-language (VL) tasks. While early concurrent works have begun to study this…

Computer Vision and Pattern Recognition · Computer Science 2023-01-02 Zhecan Wang , Noel Codella , Yen-Chun Chen , Luowei Zhou , Jianwei Yang , Xiyang Dai , Bin Xiao , Haoxuan You , Shih-Fu Chang , Lu Yuan

CLIP (Contrastive Language-Image Pre-training) uses contrastive learning from noise image-text pairs to excel at recognizing a wide array of candidates, yet its focus on broad associations hinders the precision in distinguishing subtle…

Computer Vision and Pattern Recognition · Computer Science 2026-05-18 Ziyu Liu , Zeyi Sun , Yuhang Zang , Wei Li , Pan Zhang , Xiaoyi Dong , Yuanjun Xiong , Dahua Lin , Jiaqi Wang

Adopting contrastive image-text pretrained models like CLIP towards video classification has gained attention due to its cost-effectiveness and competitive performance. However, recent works in this area face a trade-off. Finetuning the…

Computer Vision and Pattern Recognition · Computer Science 2023-04-10 Syed Talal Wasim , Muzammal Naseer , Salman Khan , Fahad Shahbaz Khan , Mubarak Shah

Medical image segmentation has been widely recognized as a pivot procedure for clinical diagnosis, analysis, and treatment planning. However, the laborious and expensive annotation process lags down the speed of further advances.…

Computer Vision and Pattern Recognition · Computer Science 2022-05-02 Zhuowei Li , Zihao Liu , Zhiqiang Hu , Qing Xia , Ruiqin Xiong , Shaoting Zhang , Dimitris Metaxas , Tingting Jiang

Advances in the field of vision-language contrastive learning have made it possible for many downstream applications to be carried out efficiently and accurately by simply taking the dot product between image and text representations. One…

Machine Learning · Computer Science 2023-10-20 Yifei Zhou , Juntao Ren , Fengyu Li , Ramin Zabih , Ser-Nam Lim

With the increasing adoption of video anomaly detection in intelligent surveillance domains, conventional visual-based detection approaches often struggle with information insufficiency and high false-positive rates in complex environments.…

Computer Vision and Pattern Recognition · Computer Science 2025-06-03 Peng Wu , Wanshun Su , Guansong Pang , Yujia Sun , Qingsen Yan , Peng Wang , Yanning Zhang

Accurate identification of antiviral peptides (AVPs) is critical for accelerating novel drug development. However, current computational methods struggle to capture intricate sequence dependencies and effectively handle ambiguous,…

Machine Learning · Computer Science 2025-12-29 Xinru Wen , Weizhong Lin , Xuan Xiao

Recently, large-scale Contrastive Language-Image Pre-training (CLIP) has attracted unprecedented attention for its impressive zero-shot recognition ability and excellent transferability to downstream tasks. However, CLIP is quite…

Computer Vision and Pattern Recognition · Computer Science 2022-03-15 Yangguang Li , Feng Liang , Lichen Zhao , Yufeng Cui , Wanli Ouyang , Jing Shao , Fengwei Yu , Junjie Yan

Open-domain visual entity recognition (VER) seeks to associate images with entities in encyclopedic knowledge bases such as Wikipedia. Recent generative methods tailored for VER demonstrate strong performance but incur high computational…

Computer Vision and Pattern Recognition · Computer Science 2026-05-15 Shan Ning , Longtian Qiu , Jiaxuan Sun , Xuming He

Adversarial Imitation Learning (AIL) allows the agent to reproduce expert behavior with low-dimensional states and actions. However, challenges arise in handling visual states due to their less distinguishable representation compared to…

Machine Learning · Computer Science 2024-01-23 Yunke Wang , Linwei Tao , Bo Du , Yutian Lin , Chang Xu

Recent advances in brain-inspired artificial intelligence have sought to align neural signals with visual semantics using multimodal models such as CLIP. However, existing methods often treat CLIP as a static feature extractor, overlooking…

Information Retrieval · Computer Science 2025-11-13 Jiyuan Wang , Li Zhang , Haipeng Lin , Qile Liu , Gan Huang , Ziyu Li , Zhen Liang , Xia Wu

Learning from 3D protein structures has gained wide interest in protein modeling and structural bioinformatics. Unfortunately, the number of available structures is orders of magnitude lower than the training data sizes commonly used in…

Biomolecules · Quantitative Biology 2022-06-01 Pedro Hermosilla , Timo Ropinski

We propose a simple strategy for masking image patches during visual-language contrastive learning that improves the quality of the learned representations and the training speed. During each iteration of training, we randomly mask clusters…

Computer Vision and Pattern Recognition · Computer Science 2024-05-15 Zihao Wei , Zixuan Pan , Andrew Owens