English
Related papers

Related papers: A fully differentiable ligand pose optimization fr…

200 papers

Beam selection for millimeter-wave links in a vehicular scenario is a challenging problem, as an exhaustive search among all candidate beam pairs cannot be assuredly completed within short contact times. We solve this problem via a novel…

Inverse Protein Folding (IPF) is a critical subtask in the field of protein design, aiming to engineer amino acid sequences capable of folding correctly into a specified three-dimensional (3D) conformation. Although substantial progress has…

Computation and Language · Computer Science 2025-05-20 Yanting Li , Jiyue Jiang , Zikang Wang , Ziqian Lin , Dongchen He , Yuheng Shan , Yanruisheng Shao , Jiayi Li , Xiangyu Shi , Jiuming Wang , Yanyu Chen , Yimin Fan , Han Li , Yu Li

Accurate and efficient cell detection is crucial in many biomedical image analysis tasks. We evaluate the performance of several Deep Learning (DL) methods for cell detection in Papanicolaou-stained cytological Whole Slide Images (WSIs),…

Computer Vision and Pattern Recognition · Computer Science 2026-01-15 Marco Acerbis , Nataša Sladoje , Joakim Lindblad

Deep neural network (DNN) based approaches have been widely investigated and deployed in medical image analysis. For example, fully convolutional neural networks (FCN) achieve the state-of-the-art performance in several applications of…

Computer Vision and Pattern Recognition · Computer Science 2020-06-11 Dong Yang , Holger Roth , Ziyue Xu , Fausto Milletari , Ling Zhang , Daguang Xu

We present KinetiDiff, a structure-based framework for de novo kinase inhibitor design that integrates a Geometry-Complete Diffusion Model with real-time AutoDock Vina gradient guidance. By injecting physics-based docking gradients into the…

Chemical Physics · Physics 2026-04-24 Aaryan Patel

Deep learning (DL) has been widely adopted those last years but they are computing-intensive method. Therefore, scientists proposed diverse optimization to accelerate their predictions for end-user applications. However, no single inference…

Machine Learning · Computer Science 2022-10-11 Pierrick Pochelu

Human body pose estimation and hand detection are two important tasks for systems that perform computer vision-based sign language recognition(SLR). However, both tasks are challenging, especially when the input is color videos, with no…

Computer Vision and Pattern Recognition · Computer Science 2016-04-21 Srujana Gattupalli , Amir Ghaderi , Vassilis Athitsos

Deep Learning (DL) has been widely adopted in diverse industrial domains, including autonomous driving, intelligent healthcare, and aided programming. Like traditional software, DL systems are also prone to faults, whose malfunctioning may…

Machine Learning · Computer Science 2026-01-01 Hanmo You , Zan Wang , Zishuo Dong , Luanqi Mo , Jianjun Zhao , Junjie Chen

Semantic understanding and localization are fundamental enablers of robot autonomy that have for the most part been tackled as disjoint problems. While deep learning has enabled recent breakthroughs across a wide spectrum of scene…

Robotics · Computer Science 2018-10-12 Noha Radwan , Abhinav Valada , Wolfram Burgard

Dose escalation radiotherapy allows increased control of prostate cancer (PCa) but requires segmentation of dominant index lesions (DIL), motivating the development of automated methods for fast, accurate, and consistent segmentation of PCa…

Image and Video Processing · Electrical Eng. & Systems 2023-03-08 Josiah Simeth , Jue Jiang , Anton Nosov , Andreas Wibmer , Michael Zelefsky , Neelam Tyagi , Harini Veeraraghavan

Tracking passive magnetic markers plays a vital role in advancing healthcare and robotics, offering the potential to significantly improve the precision and efficiency of systems. This technology is key to developing smarter, more…

Machine Learning · Computer Science 2024-03-26 Mengfan Wu , Thomas Langerak , Otmar Hilliges , Juan Zarate

Short-fiber-reinforced composites (SFRC) are high-performance engineering materials for lightweight structural applications in the automotive and electronics industries. Typically, SFRC structures are manufactured by injection molding,…

Computational Engineering, Finance, and Science · Computer Science 2023-01-10 Haoyan Wei , C. T. Wu , Wei Hu , Tung-Huan Su , Hitoshi Oura , Masato Nishi , Tadashi Naito , Stan Chung , Leo Shen

Computational drug discovery provides an efficient tool helping large scale lead molecules screening. One of the major tasks of lead discovery is identifying molecules with promising binding affinities towards a target, a protein in…

Biological Physics · Physics 2019-09-18 Liangzhen Zheng , Jingrong Fan , Yuguang Mu

Learning efficient and interpretable policies has been a challenging task in reinforcement learning (RL), particularly in the visual RL setting with complex scenes. While neural networks have achieved competitive performance, the resulting…

Machine Learning · Computer Science 2023-01-02 Wenqing Zheng , S P Sharan , Zhiwen Fan , Kevin Wang , Yihan Xi , Zhangyang Wang

Computational virtual high-throughput screening (VHTS) with density functional theory (DFT) and machine-learning (ML)-acceleration is essential in rapid materials discovery. By necessity, efficient DFT-based workflows are carried out with a…

Materials Science · Physics 2021-06-25 Chenru Duan , Shuxin Chen , Michael G. Taylor , Fang Liu , Heather J. Kulik

In this study, we present ScoreFormer, a novel graph transformer model designed to accurately predict molecular docking scores, thereby optimizing high-throughput virtual screening (HTVS) in drug discovery. The architecture integrates…

Machine Learning · Computer Science 2024-06-26 Álvaro Ciudad , Adrián Morales-Pastor , Laura Malo , Isaac Filella-Mercè , Victor Guallar , Alexis Molina

The task of dataset distillation aims to find a small set of synthetic images such that training a model on them reproduces the performance of the same model trained on a much larger dataset of real samples. Existing distillation methods…

Computer Vision and Pattern Recognition · Computer Science 2025-11-21 George Cazenavette , Antonio Torralba , Vincent Sitzmann

Accurate prediction of protein-ligand binding affinity is critical for drug discovery. While recent deep learning approaches have demonstrated promising results, they often rely solely on structural features of proteins and ligands,…

Machine Learning · Computer Science 2026-01-23 Han Liu , Keyan Ding , Peilin Chen , Yinwei Wei , Liqiang Nie , Dapeng Wu , Shiqi Wang

Deep learning-based fault diagnosis (FD) approaches require a large amount of training data, which are difficult to obtain since they are located across different entities. Federated learning (FL) enables multiple clients to collaboratively…

Machine Learning · Computer Science 2023-10-16 Jixuan Cui , Jun Li , Zhen Mei , Kang Wei , Sha Wei , Ming Ding , Wen Chen , Song Guo

Vision Foundation Models (VFMs) have advanced representation learning through self-supervised methods. However, existing training pipelines are often inflexible, domain-specific, or computationally expensive, which limits their usability…

Computer Vision and Pattern Recognition · Computer Science 2025-11-04 Mahmut Selman Gokmen , Cody Bumgardner
‹ Prev 1 8 9 10 Next ›