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Predicting how a drug-like molecule binds to a specific protein target is a core problem in drug discovery. An extremely fast computational binding method would enable key applications such as fast virtual screening or drug engineering.…

Biomolecules · Quantitative Biology 2022-06-07 Hannes Stärk , Octavian-Eugen Ganea , Lagnajit Pattanaik , Regina Barzilay , Tommi Jaakkola

Anomaly recognition plays a vital role in surveillance, transportation, healthcare, and public safety. However, most existing approaches rely solely on visual data, making them unreliable under challenging conditions such as occlusion, low…

Computer Vision and Pattern Recognition · Computer Science 2025-11-12 Amjid Ali , Zulfiqar Ahmad Khan , Altaf Hussain , Muhammad Munsif , Adnan Hussain , Sung Wook Baik

Identification and alignment of three-dimensional folding of proteins may yield useful information about relationships too remote to be detected by conventional methods, such as sequence comparison, and may potentially lead to prediction of…

Quantitative Methods · Quantitative Biology 2017-01-10 Barış Ekim

Fragile (i.e., non-robust) test execution is a common challenge for automated GUI-based testing of web applications as they evolve. Despite recent progress, there is still room for improvement since test execution failures caused by…

Software Engineering · Computer Science 2023-01-16 Michel Nass , Riccardo Coppola , Emil Alégroth , Robert Feldt

Determining the relative pose of a previously unseen object between two images is pivotal to the success of generalizable object pose estimation. Existing approaches typically predict 3D translation utilizing the ground-truth object…

Computer Vision and Pattern Recognition · Computer Science 2025-03-18 Chen Zhao , Tong Zhang , Zheng Dang , Mathieu Salzmann

In structure-based drug design, accurately estimating the binding affinity between a candidate ligand and its protein receptor is a central challenge. Recent advances in artificial intelligence, particularly deep learning, have demonstrated…

Biomolecules · Quantitative Biology 2025-09-18 Md Masud Rana , Farjana Tasnim Mukta , Duc D. Nguyen

Early detection and accurate diagnosis can predict the risk of malignant disease transformation, thereby increasing the probability of effective treatment. Identifying mild syndrome with small pathological regions serves as an ominous…

Image and Video Processing · Electrical Eng. & Systems 2026-01-15 Wei Dai , Rui Liu , Zixuan Wu , Tianyi Wu , Min Wang , Junxian Zhou , Yixuan Yuan , Jun Liu

Pocket representations play a vital role in various biomedical applications, such as druggability estimation, ligand affinity prediction, and de novo drug design. While existing geometric features and pretrained representations have…

Machine Learning · Computer Science 2024-03-08 Bowen Gao , Yinjun Jia , Yuanle Mo , Yuyan Ni , Weiying Ma , Zhiming Ma , Yanyan Lan

It has been well recognized that fusing the complementary information from depth-aware LiDAR point clouds and semantic-rich stereo images would benefit 3D object detection. Nevertheless, it is not trivial to explore the inherently unnatural…

Computer Vision and Pattern Recognition · Computer Science 2021-12-02 Hanqi Zhu , Jiajun Deng , Yu Zhang , Jianmin Ji , Qiuyu Mao , Houqiang Li , Yanyong Zhang

Deformable image registration is a critical technology in medical image analysis, with broad applications in clinical practice such as disease diagnosis, multi-modal fusion, and surgical navigation. Traditional methods often rely on…

Image and Video Processing · Electrical Eng. & Systems 2026-03-04 Zhengyong Huang , Xingwen Sun , Xuting Chang , Ning Jiang , Yao Wang , Jianfei Sun , Hongbin Han , Yao Sui

Visual grounding (VG) aims to establish fine-grained alignment between vision and language. Ideally, it can be a testbed for vision-and-language models to evaluate their understanding of the images and texts and their reasoning abilities…

Computer Vision and Pattern Recognition · Computer Science 2023-07-24 Zhihong Chen , Ruifei Zhang , Yibing Song , Xiang Wan , Guanbin Li

Accurate segmentation of abdominal adipose tissue, including subcutaneous (SAT) and visceral adipose tissue (VAT), along with liver segmentation, is essential for understanding body composition and associated health risks such as type 2…

Image and Video Processing · Electrical Eng. & Systems 2025-04-17 Mansoor Hayat , Supavadee Aramvith , Subrata Bhattacharjee , Nouman Ahmad

Vision transformers (ViTs) inherited the success of NLP but their structures have not been sufficiently investigated and optimized for visual tasks. One of the simplest solutions is to directly search the optimal one via the widely used…

Computer Vision and Pattern Recognition · Computer Science 2021-12-01 Xiu Su , Shan You , Jiyang Xie , Mingkai Zheng , Fei Wang , Chen Qian , Changshui Zhang , Xiaogang Wang , Chang Xu

Standard modern machine-learning-based imaging methods have faced challenges in medical applications due to the high cost of dataset construction and, thereby, the limited labeled training data available. Additionally, upon deployment,…

Computer Vision and Pattern Recognition · Computer Science 2025-04-01 Amin Karimi Monsefi , Payam Karisani , Mengxi Zhou , Stacey Choi , Nathan Doble , Heng Ji , Srinivasan Parthasarathy , Rajiv Ramnath

Active learning (AL) has found wide applications in medical image segmentation, aiming to alleviate the annotation workload and enhance performance. Conventional uncertainty-based AL methods, such as entropy and Bayesian, often rely on an…

Computer Vision and Pattern Recognition · Computer Science 2024-01-30 Siteng Ma , Haochang Wu , Aonghus Lawlor , Ruihai Dong

In structure-based drug discovery, virtual screening using conventional molecular docking methods can be performed rapidly but suffers from limitations in prediction accuracy. Recently, Boltz-2 was proposed, achieving extremely high…

Biomolecules · Quantitative Biology 2025-08-26 Kairi Furui , Masahito Ohue

MobileNets, a class of top-performing convolutional neural network architectures in terms of accuracy and efficiency trade-off, are increasingly used in many resourceaware vision applications. In this paper, we present Harmonious Bottleneck…

Computer Vision and Pattern Recognition · Computer Science 2019-08-13 Duo Li , Aojun Zhou , Anbang Yao

To bridge the gap between supervised semantic segmentation and real-world applications that acquires one model to recognize arbitrary new concepts, recent zero-shot segmentation attracts a lot of attention by exploring the relationships…

Computer Vision and Pattern Recognition · Computer Science 2022-11-01 Quande Liu , Youpeng Wen , Jianhua Han , Chunjing Xu , Hang Xu , Xiaodan Liang

The inherent ambiguity in ground-truth annotations of 3D bounding boxes, caused by occlusions, signal missing, or manual annotation errors, can confuse deep 3D object detectors during training, thus deteriorating detection accuracy.…

Computer Vision and Pattern Recognition · Computer Science 2024-07-09 Yifan Zhang , Qijian Zhang , Zhiyu Zhu , Junhui Hou , Yixuan Yuan

In this paper, we focus on the spatio-temporal aspect of recognizing Activities of Daily Living (ADL). ADL have two specific properties (i) subtle spatio-temporal patterns and (ii) similar visual patterns varying with time. Therefore, ADL…

Computer Vision and Pattern Recognition · Computer Science 2020-07-08 Srijan Das , Saurav Sharma , Rui Dai , Francois Bremond , Monique Thonnat