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Structure-based drug discovery, encompassing the tasks of protein-ligand docking and pocket-aware 3D drug design, represents a core challenge in drug discovery. However, no existing work can deal with both tasks to effectively leverage the…

Computational Engineering, Finance, and Science · Computer Science 2025-02-10 Xiuyuan Hu , Guoqing Liu , Can Chen , Yang Zhao , Hao Zhang , Xue Liu

Drug discovery is a time-consuming and expensive process, with traditional high-throughput and docking-based virtual screening hampered by low success rates and limited scalability. Recent advances in generative modelling, including…

Artificial Intelligence · Computer Science 2026-03-12 Junkai Ji , Zhangfan Yang , Dong Xu , Ruibin Bai , Jianqiang Li , Tingjun Hou , Zexuan Zhu

Most of the achievements in artificial intelligence so far were accomplished by supervised learning which requires numerous annotated training data and thus costs innumerable manpower for labeling. Unsupervised learning is one of the…

Computer Vision and Pattern Recognition · Computer Science 2021-06-14 Mingxiang Chen , Zhanguo Chang , Haonan Lu , Bitao Yang , Zhuang Li , Liufang Guo , Zhecheng Wang

Open-vocabulary object detection (OVD) aims to scale up vocabulary size to detect objects of novel categories beyond the training vocabulary. Recent work resorts to the rich knowledge in pre-trained vision-language models. However, existing…

Computer Vision and Pattern Recognition · Computer Science 2022-11-28 Peixian Chen , Kekai Sheng , Mengdan Zhang , Mingbao Lin , Yunhang Shen , Shaohui Lin , Bo Ren , Ke Li

Epicardial adipose tissue (EAT) is a type of visceral fat that can secrete large amounts of adipokines to affect the myocardium and coronary arteries. EAT volume and density can be used as independent risk markers measurement of volume by…

Image and Video Processing · Electrical Eng. & Systems 2024-02-26 Kai Zhao , Zhiming Liu , Jiaqi Liu , Jingbiao Zhou , Bihong Liao , Huifang Tang , Qiuyu Wang , Chunquan Li

Vision Graph Neural Networks (ViGs) have demonstrated promising performance in image recognition tasks against Convolutional Neural Networks (CNNs) and Vision Transformers (ViTs). An essential part of the ViG framework is the node-neighbor…

Computer Vision and Pattern Recognition · Computer Science 2025-10-01 Hakan Emre Gedik , Andrew Martin , Mustafa Munir , Oguzhan Baser , Radu Marculescu , Sandeep P. Chinchali , Alan C. Bovik

Rotation estimation of high precision from an RGB-D object observation is a huge challenge in 6D object pose estimation, due to the difficulty of learning in the non-linear space of SO(3). In this paper, we propose a novel rotation…

Computer Vision and Pattern Recognition · Computer Science 2023-08-22 Jiehong Lin , Zewei Wei , Yabin Zhang , Kui Jia

Convolutional networks (ConvNets) have achieved promising accuracy for various anatomical segmentation tasks. Despite the success, these methods can be sensitive to data appearance variations. Considering the large variability of scans…

Computer Vision and Pattern Recognition · Computer Science 2021-02-03 Yuan Liang , Weinan Song , Jiawei Yang , Liang Qiu , Kun Wang , Lei He

This work introduces VERSE, a methodology for analyzing and improving Vision-Language Models applied to Visually-rich Document Understanding by exploring their visual embedding space. VERSE enables the visualization of latent…

Computer Vision and Pattern Recognition · Computer Science 2026-01-09 Ignacio de Rodrigo , Alvaro J. Lopez-Lopez , Jaime Boal

Active learning (AL) has emerged as a crucial strategy for reducing the prohibitive costs associated with medical image segmentation. However, standard uncertainty-based AL methods typically focus on maximizing performance metrics, ignoring…

Computer Vision and Pattern Recognition · Computer Science 2026-05-05 Ghazal Danaee , Mélanie Gaillochet , Christian Desrosiers , Herve Lombaert , Sylvain Bouix

The recent proposal of a new alignment solution for X-ray tomography, Virtual alignment method (VAM) allowed a more accurate method to remove the possible errors that limit the resolution and clarity of the reconstructed image. In the field…

Image and Video Processing · Electrical Eng. & Systems 2020-10-28 Kyungtaek Jun , Seokhwan Yoon , Jae-Hong Lim , SeungJoon Noh

We focus on the audio-visual video parsing (AVVP) problem that involves detecting audio and visual event labels with temporal boundaries. The task is especially challenging since it is weakly supervised with only event labels available as a…

Computer Vision and Pattern Recognition · Computer Science 2022-11-14 Piyush Singh Pasi , Shubham Nemani , Preethi Jyothi , Ganesh Ramakrishnan

Reinforcement learning (RL)-based neural architecture search (NAS) generally guarantees better convergence yet suffers from the requirement of huge computational resources compared with gradient-based approaches, due to the rollout…

Machine Learning · Computer Science 2021-05-28 Jihao Liu , Ming Zhang , Yangting Sun , Boxiao Liu , Guanglu Song , Yu Liu , Hongsheng Li

Visual Place Recognition (VPR) is a crucial component of many visual localization pipelines for embodied agents. VPR is often formulated as an image retrieval task aimed at jointly learning local features and an aggregation method. The…

Computer Vision and Pattern Recognition · Computer Science 2024-10-01 Ahmad Khaliq , Ming Xu , Stephen Hausler , Michael Milford , Sourav Garg

By contextualizing the kernel as global as possible, Modern ConvNets have shown great potential in computer vision tasks. However, recent progress on multi-order game-theoretic interaction within deep neural networks (DNNs) reveals the…

Computer Vision and Pattern Recognition · Computer Science 2025-06-17 Siyuan Li , Zedong Wang , Zicheng Liu , Cheng Tan , Haitao Lin , Di Wu , Zhiyuan Chen , Jiangbin Zheng , Stan Z. Li

Multi-view pose estimation is essential for quantifying animal behavior in scientific research, yet current methods struggle to achieve accurate tracking with limited labeled data and suffer from poor uncertainty estimates. We address these…

Computer Vision and Pattern Recognition · Computer Science 2025-10-14 Lenny Aharon , Keemin Lee , Karan Sikka , Selmaan Chettih , Cole Hurwitz , Liam Paninski , Matthew R Whiteway

Accurate coronary artery segmentation is critical for computeraided diagnosis of coronary artery disease (CAD), yet it remains challenging due to the small size, complex morphology, and low contrast with surrounding tissues. To address…

Image and Video Processing · Electrical Eng. & Systems 2025-07-18 Caixia Dong , Duwei Dai , Xinyi Han , Fan Liu , Xu Yang , Zongfang Li , Songhua Xu

Accurately predicting the binding affinity between drugs and proteins is an essential step for computational drug discovery. Since graph neural networks (GNNs) have demonstrated remarkable success in various graph-related tasks, GNNs have…

Quantitative Methods · Quantitative Biology 2020-12-18 Jingbo Zhou , Shuangli Li , Liang Huang , Haoyi Xiong , Fan Wang , Tong Xu , Hui Xiong , Dejing Dou

We describe a method for verifying the output of a deep neural network for medical image segmentation that is robust to several classes of random as well as worst-case perturbations i.e. adversarial attacks. This method is based on a…

Computer Vision and Pattern Recognition · Computer Science 2023-12-21 Fahim Ahmed Zaman , Xiaodong Wu , Weiyu Xu , Milan Sonka , Raghuraman Mudumbai

Surgery monitoring in Mixed Reality (MR) environments has recently received substantial focus due to its importance in image-based decisions, skill assessment, and robot-assisted surgery. Tracking hands and articulated surgical instruments…

Computer Vision and Pattern Recognition · Computer Science 2024-10-03 Ahmed Tawfik Aboukhadra , Nadia Robertini , Jameel Malik , Ahmed Elhayek , Gerd Reis , Didier Stricker