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Antibody design is an essential yet challenging task in various domains like therapeutics and biology. There are two major defects in current learning-based methods: 1) tackling only a certain subtask of the whole antibody design pipeline,…

Biomolecules · Quantitative Biology 2023-05-31 Xiangzhe Kong , Wenbing Huang , Yang Liu

Antibodies are Y-shaped proteins that protect the host by binding to specific antigens, and their binding is mainly determined by the Complementary Determining Regions (CDRs) in the antibody. Despite the great progress made in CDR design,…

Quantitative Methods · Quantitative Biology 2025-01-03 Lirong Wu , Haitao Lin , Yufei Huang , Zhangyang Gao , Cheng Tan , Yunfan Liu , Tailin Wu , Stan Z. Li

Antibodies are versatile proteins that can bind to pathogens and provide effective protection for human body. Recently, deep learning-based computational antibody design has attracted popular attention since it automatically mines the…

Biomolecules · Quantitative Biology 2022-11-18 Kaiyuan Gao , Lijun Wu , Jinhua Zhu , Tianbo Peng , Yingce Xia , Liang He , Shufang Xie , Tao Qin , Haiguang Liu , Kun He , Tie-Yan Liu

Antibodies are versatile proteins that bind to pathogens like viruses and stimulate the adaptive immune system. The specificity of antibody binding is determined by complementarity-determining regions (CDRs) at the tips of these Y-shaped…

Biomolecules · Quantitative Biology 2022-01-31 Wengong Jin , Jeremy Wohlwend , Regina Barzilay , Tommi Jaakkola

Computational antibody design seeks to automatically create an antibody that binds to an antigen. The binding affinity is governed by the 3D binding interface where antibody residues (paratope) closely interact with antigen residues…

Biomolecules · Quantitative Biology 2022-07-15 Wengong Jin , Regina Barzilay , Tommi Jaakkola

Antibody design remains a critical challenge in therapeutic and diagnostic development, particularly for complex antigens with diverse binding interfaces. Current computational methods face two main limitations: (1) capturing geometric…

Machine Learning · Computer Science 2025-06-27 Jiameng Chen , Xiantao Cai , Jia Wu , Wenbin Hu

Antibody co-design represents a critical frontier in drug development, where accurate prediction of both 1D sequence and 3D structure of complementarity-determining regions (CDRs) is essential for targeting specific epitopes. Despite recent…

Biomolecules · Quantitative Biology 2025-02-27 Jiayang Wu , Xingyi Zhang , Xiangyu Dong , Kun Xie , Ziqi Liu , Wensheng Gan , Sibo Wang , Le Song

Cross-View Geo-Localization (CVGL) involves determining the localization of drone images by retrieving the most similar GPS-tagged satellite images. However, the imaging gaps between platforms are often significant and the variations in…

Computer Vision and Pattern Recognition · Computer Science 2025-05-27 Zhongwei Chen , Zhao-Xu Yang , Hai-Jun Rong

Medical image translation is the process of converting from one imaging modality to another, in order to reduce the need for multiple image acquisitions from the same patient. This can enhance the efficiency of treatment by reducing the…

Image and Video Processing · Electrical Eng. & Systems 2024-12-03 Juhyung Ha , Jong Sung Park , David Crandall , Eleftherios Garyfallidis , Xuhong Zhang

Optimising the analysis of cardiac structure and function requires accurate 3D representations of shape and motion. However, techniques such as cardiac magnetic resonance imaging are conventionally limited to acquiring contiguous…

Image and Video Processing · Electrical Eng. & Systems 2021-07-19 Nicolo Savioli , Antonio de Marvao , Wenjia Bai , Shuo Wang , Stuart A. Cook , Calvin W. L. Chin , Daniel Rueckert , Declan P. O'Regan

Heterogeneous face recognition between color image and depth image is a much desired capacity for real world applications where shape information is looked upon as merely involved in gallery. In this paper, we propose a cross-modal deep…

Computer Vision and Pattern Recognition · Computer Science 2017-09-15 Wuming Zhang , Zhixin Shu , Dimitris Samaras , Liming Chen

Generative adversarial networks have led to significant advances in cross-modal/domain translation. However, typically these networks are designed for a specific task (e.g., dialogue generation or image synthesis, but not both). We present…

Computer Vision and Pattern Recognition · Computer Science 2019-07-11 Shuang Ma , Daniel McDuff , Yale Song

Computational antibody CDR design methods condition on antigen structure to generate binding loops, yet existing architectures conflate two fundamentally distinct sub-problems: identifying which CDR positions will contact the antigen, and…

Machine Learning · Computer Science 2026-05-22 Mansoor Ahmed , Spencer VonBank , Nadeem Taj , Sujin Lee , Naila Jan , Murray Patterson

In medical applications, the same anatomical structures may be observed in multiple modalities despite the different image characteristics. Currently, most deep models for multimodal segmentation rely on paired registered images. However,…

Computer Vision and Pattern Recognition · Computer Science 2019-07-09 Wenguang Yuan , Jia Wei , Jiabing Wang , Qianli Ma , Tolga Tasdizen

Learning and reasoning about 3D molecular structures with varying size is an emerging and important challenge in machine learning and especially in drug discovery. Equivariant Graph Neural Networks (GNNs) can simultaneously leverage the…

Machine Learning · Computer Science 2022-03-03 Tuan Le , Frank Noé , Djork-Arné Clevert

Training robust deep learning (DL) systems for medical image classification or segmentation is challenging due to limited images covering different disease types and severity. We propose an active learning (AL) framework to select most…

Computer Vision and Pattern Recognition · Computer Science 2019-10-23 Dwarikanath Mahapatra , Behzad Bozorgtabar , Jean-Philippe Thiran , Mauricio Reyes

Recently, Generative Adversarial Network (GAN) has been found wide applications in style transfer, image-to-image translation and image super-resolution. In this paper, a color-depth conditional GAN is proposed to concurrently resolve the…

Computer Vision and Pattern Recognition · Computer Science 2018-11-29 Lijun Zhao , Huihui Bai , Jie Liang , Bing Zeng , Anhong Wang , Yao Zhao

Generative adversarial networks (GANs) are currently rarely applied on 3D medical images of large size, due to their immense computational demand. The present work proposes a multi-scale patch-based GAN approach for establishing unpaired…

Image and Video Processing · Electrical Eng. & Systems 2020-10-13 Hristina Uzunova , Jan Ehrhardt , Heinz Handels

Fusing multi-modality medical images, such as MR and PET, can provide various anatomical or functional information about human body. But PET data is always unavailable due to different reasons such as cost, radiation, or other limitations.…

Image and Video Processing · Electrical Eng. & Systems 2020-08-11 Shengye Hu , Baiying Lei , Yong Wang , Zhiguang Feng , Yanyan Shen , Shuqiang Wang

Therapeutic antibodies have been extensively studied in drug discovery and development in the past decades. Antibodies are specialized protective proteins that bind to antigens in a lock-to-key manner. The binding strength/affinity between…

Machine Learning · Computer Science 2024-06-21 Bohao Xu , Yanbo Wang , Wenyu Chen , Shimin Shan
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