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Related papers: DrugCLIP: Contrastive Protein-Molecule Representat…

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We propose Domain-Conditioned Meta-Contrastive Learning, a framework for improving the cross-domain generalization of vision-language models. While contrastive models such as CLIP achieve strong performance through large-scale training,…

Optimization and Control · Mathematics 2026-03-31 Merham Fouladvand , Peuroly Batra

Existing contrastive language-image pre-training aims to learn a joint representation by matching abundant image-text pairs. However, the number of image-text pairs in medical datasets is usually orders of magnitude smaller than that in…

Computer Vision and Pattern Recognition · Computer Science 2024-01-04 Jiarun Liu , Hong-Yu Zhou , Cheng Li , Weijian Huang , Hao Yang , Yong Liang , Shanshan Wang

Virtual screening of small molecules against protein targets can accelerate drug discovery and development by predicting drug-target interactions (DTIs). However, structure-based methods like molecular docking are too slow to allow for…

Obtaining large-scale radiology reports can be difficult for medical images due to various reasons, limiting the effectiveness of contrastive pre-training in the medical image domain and underscoring the need for alternative methods. In…

Computer Vision and Pattern Recognition · Computer Science 2023-12-13 Zihao Zhao , Sheng Wang , Qian Wang , Dinggang Shen

Virtual screening, including molecular docking, plays an essential role in drug discovery. Many traditional and machine-learning based methods are available to fulfil the docking task. The traditional docking methods are normally…

Chemical Physics · Physics 2023-03-20 YuPeng Huang , Hong Zhang , Siyuan Jiang , Dajiong Yue , Xiaohan Lin , Jun Zhang , Yi Qin Gao

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

Colonoscopic Polyp Re-Identification aims to match a specific polyp in a large gallery with different cameras and views, which plays a key role for the prevention and treatment of colorectal cancer in the computer-aided diagnosis. However,…

Computer Vision and Pattern Recognition · Computer Science 2023-07-21 Suncheng Xiang , Cang Liu , Sijia Du , Dahong Qian

Contrastive learning and self-supervised techniques have gained prevalence in computer vision for the past few years. It is essential for medical image analysis, which is often notorious for its lack of annotations. Most existing…

Image and Video Processing · Electrical Eng. & Systems 2022-03-07 Jun Li , Quan Quan , S. Kevin Zhou

Contrastive Language-Image Pre-training (CLIP)~\citep{radford2021learning} has emerged as a pivotal model in computer vision and multimodal learning, achieving state-of-the-art performance at aligning visual and textual representations…

Computer Vision and Pattern Recognition · Computer Science 2026-04-06 Shaoan Xie , Lingjing Kong , Yujia Zheng , Yu Yao , Zeyu Tang , Eric P. Xing , Guangyi Chen , Kun Zhang

Accurate prediction of enzyme kinetic parameters is crucial for drug discovery, metabolic engineering, and synthetic biology applications. Current computational approaches face limitations in capturing complex enzyme-substrate interactions…

Biomolecules · Quantitative Biology 2025-12-02 Anas Aziz Khan , Md Shah Fahad , Priyanka , Ramesh Chandra , Guransh Singh

Contrastive Language-Image Pre-training (CLIP) has been a celebrated method for training vision encoders to generate image/text representations facilitating various applications. Recently, CLIP has been widely adopted as the vision backbone…

Computer Vision and Pattern Recognition · Computer Science 2025-02-20 Hong-You Chen , Zhengfeng Lai , Haotian Zhang , Xinze Wang , Marcin Eichner , Keen You , Meng Cao , Bowen Zhang , Yinfei Yang , Zhe Gan

Medical image understanding plays a crucial role in enabling automated diagnosis and data-driven clinical decision support. However, its progress is impeded by two primary challenges: the limited availability of high-quality annotated…

Computer Vision and Pattern Recognition · Computer Science 2025-09-22 Tianchen Fang , Guiru Liu

Deep learning-based drug response prediction (DRP) methods can accelerate the drug discovery process and reduce R\&D costs. Although the mainstream methods achieve high accuracy in predicting response regression values, the regression-aware…

Biomolecules · Quantitative Biology 2023-12-19 Kun Li , Wenbin Hu

Contrastive image-text models such as CLIP form the building blocks of many state-of-the-art systems. While they excel at recognizing common generic concepts, they still struggle on fine-grained entities which are rare, or even absent from…

Computer Vision and Pattern Recognition · Computer Science 2024-02-22 Ahmet Iscen , Mathilde Caron , Alireza Fathi , Cordelia Schmid

Contrastive Language-Image Pretraining (CLIP) stands out as a prominent method for image representation learning. Various architectures, from vision transformers (ViTs) to convolutional networks (ResNets) have been trained with CLIP to…

Computer Vision and Pattern Recognition · Computer Science 2025-02-18 Cristian Rodriguez-Opazo , Ehsan Abbasnejad , Damien Teney , Hamed Damirchi , Edison Marrese-Taylor , Anton van den Hengel

Protein (receptor)--ligand interaction prediction is a critical component in computer-aided drug design, significantly influencing molecular docking and virtual screening processes. Despite the development of numerous scoring functions in…

Biomolecules · Quantitative Biology 2024-01-22 Haoyu Lin , Shiwei Wang , Jintao Zhu , Yibo Li , Jianfeng Pei , Luhua Lai

Pretraining molecular representations is crucial for drug and material discovery. Recent methods focus on learning representations from geometric structures, effectively capturing 3D position information. Yet, they overlook the rich…

Machine Learning · Computer Science 2024-11-19 Teng Xiao , Chao Cui , Huaisheng Zhu , Vasant G. Honavar

We present SignCLIP, which re-purposes CLIP (Contrastive Language-Image Pretraining) to project spoken language text and sign language videos, two classes of natural languages of distinct modalities, into the same space. SignCLIP is an…

Computation and Language · Computer Science 2024-10-08 Zifan Jiang , Gerard Sant , Amit Moryossef , Mathias Müller , Rico Sennrich , Sarah Ebling

Traffic sign is a critical map feature for navigation and traffic control. Nevertheless, current methods for traffic sign recognition rely on traditional deep learning models, which typically suffer from significant performance degradation…

Computer Vision and Pattern Recognition · Computer Science 2025-03-11 Guoyang Zhao , Fulong Ma , Weiqing Qi , Chenguang Zhang , Yuxuan Liu , Ming Liu , Jun Ma

Drug-drug interaction(DDI) prediction is an important task in the medical health machine learning community. This study presents a new method, multi-view graph contrastive representation learning for drug-drug interaction prediction,…

Machine Learning · Computer Science 2021-04-13 Yingheng Wang , Yaosen Min , Xin Chen , Ji Wu