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We introduce UV-Net, a novel neural network architecture and representation designed to operate directly on Boundary representation (B-rep) data from 3D CAD models. The B-rep format is widely used in the design, simulation and manufacturing…

Computer Vision and Pattern Recognition · Computer Science 2021-04-27 Pradeep Kumar Jayaraman , Aditya Sanghi , Joseph G. Lambourne , Karl D. D. Willis , Thomas Davies , Hooman Shayani , Nigel Morris

A commonly recurring problem in structural protein studies, is the determination of all heavy atom positions from the knowledge of the central alpha-carbon coordinates. We employ advances in virtual reality to address the problem. The…

Biomolecules · Quantitative Biology 2014-12-30 Xubiao Peng , Alireza Chenani , Shuangwei Hu , Yifan Zhou , Antti J. Niemi

Flow-Imaging Microscopy (FIM) is commonly used in both academia and industry to characterize subvisible particles (those $\le 25 \mu m$ in size) in protein therapeutics. Pharmaceutical companies are required to record vast volumes of FIM…

Quantitative Methods · Quantitative Biology 2017-09-04 Christopher P. Calderon , Austin L. Daniels , Theodore W. Randolph

Drug discovery represents a time-consuming and financially intensive process, and virtual screening can accelerate it. Scoring functions, as one of the tools guiding virtual screening, have their precision closely tied to screening…

Machine Learning · Computer Science 2026-01-13 Haotian Gao , Xiangying Zhang , Jingyuan Li , Xinchong Chen , Haojie Wang , Yifei Qi , Renxiao Wang

Visualizing large 3D scientific datasets requires balancing performance and fidelity, but traditional tools often demand excessive technical expertise. We introduce UnrealVis, an Unreal Engine optimization laboratory for configuring and…

Human-Computer Interaction · Computer Science 2026-04-06 Matteo Filosa , Andrea Nardocci , Tiziana Catarci , Marco Angelini

This article introduces Perception-Informed Neural Networks (PrINNs), a framework designed to incorporate perception-based information into neural networks, addressing both systems with known and unknown physics laws or differential…

Machine Learning · Computer Science 2025-05-27 Mehran Mazandarani , Marzieh Najariyan

Utilizing the latest advances in Artificial Intelligence (AI), the computer vision community is now witnessing an unprecedented evolution in all kinds of perception tasks, particularly in object detection. Based on multiple spatially…

Computer Vision and Pattern Recognition · Computer Science 2023-03-23 Zhengwei Bai , Guoyuan Wu , Matthew J. Barth , Yongkang Liu , Emrah Akin Sisbot , Kentaro Oguchi

Geometric deep learning has been revolutionizing the molecular modeling field. Despite the state-of-the-art neural network models are approaching ab initio accuracy for molecular property prediction, their applications, such as drug…

Chemical Physics · Physics 2023-08-17 Yusong Wang , Shaoning Li , Xinheng He , Mingyu Li , Zun Wang , Nanning Zheng , Bin Shao , Tie-Yan Liu , Tong Wang

Object recognition plays a fundamental role in how biological organisms perceive and interact with their environment. While the human visual system performs this task with remarkable efficiency, reproducing similar capabilities in…

Computer Vision and Pattern Recognition · Computer Science 2026-01-09 Mehdi Fatan Serj , C. Alejandro Parraga , Xavier Otazu

Graph Neural Networks (GNNs) have achieved significant success across various applications. However, their complex structures and inner workings can be challenging for non-AI experts to understand. To address this issue, this study presents…

Human-Computer Interaction · Computer Science 2025-12-18 Yilin Lu , Chongwei Chen , Yuxin Chen , Kexin Huang , Marinka Zitnik , Qianwen Wang

Recent years have produced great advances in training large, deep neural networks (DNNs), including notable successes in training convolutional neural networks (convnets) to recognize natural images. However, our understanding of how these…

Computer Vision and Pattern Recognition · Computer Science 2015-06-23 Jason Yosinski , Jeff Clune , Anh Nguyen , Thomas Fuchs , Hod Lipson

Despite recent advances in protein-ligand structure prediction, deep learning methods remain limited in their ability to accurately predict binding affinities, particularly for novel protein targets dissimilar from the training set. In…

Quantitative Methods · Quantitative Biology 2025-12-04 Michael Brocidiacono , James Wellnitz , Konstantin I. Popov , Alexander Tropsha

With the rapid development of deep learning and computer vision technologies, medical image segmentation plays a crucial role in the early diagnosis of breast cancer. However, due to the characteristics of breast ultrasound images, such as…

Computer Vision and Pattern Recognition · Computer Science 2024-12-24 Jiajun Ding , Beiyao Zhu , Wenjie Wang , Shurong Zhang , Dian Zhua , Zhao Liua

Virtual, Augmented, and Mixed Reality for Human-Robot Interaction (VAM-HRI) has been gaining considerable attention in research in recent years. However, the HRI community lacks a set of shared terminology and framework for characterizing…

Robotics · Computer Science 2022-02-24 Michael Walker , Thao Phung , Tathagata Chakraborti , Tom Williams , Daniel Szafir

Proteins perform much of the work in living organisms, and consequently the development of efficient computational methods for protein representation is essential for advancing large-scale biological research. Most current approaches…

Quantitative Methods · Quantitative Biology 2023-06-09 Francesco Ceccarelli , Lorenzo Giusti , Sean B. Holden , Pietro Liò

In the big data era, the relationship between entries becomes more and more complex. Many graph (or network) algorithms have already paid attention to dynamic networks, which are more suitable than static ones for fitting the complex…

Machine Learning · Computer Science 2022-11-17 Dongqi Fu , Jingrui He

As deep neural networks are increasingly used in solving high-stake problems, there is a pressing need to understand their internal decision mechanisms. Visualization has helped address this problem by assisting with interpreting complex…

Machine Learning · Computer Science 2019-06-04 Haekyu Park , Fred Hohman , Duen Horng Chau

Implicit Neural Representations (INRs) are powerful to parameterize continuous signals in computer vision. However, almost all INRs methods are limited to low-level tasks, e.g., image/video compression, super-resolution, and image…

Computer Vision and Pattern Recognition · Computer Science 2023-12-04 Yiran Song , Qianyu Zhou , Lizhuang Ma

Social-physical human-robot interaction (spHRI) is difficult to study: building and programming robots that integrate multiple interaction modalities is costly and slow, while VR-based prototypes often lack physical contact, breaking users'…

Robotics · Computer Science 2026-01-26 Chao Wang , Anna Belardinelli , Michael Gienger

With the widespread adoption of Extended Reality (XR) headsets, spatial computing technologies are gaining increasing attention. Spatial computing enables interaction with virtual elements through natural input methods such as eye tracking,…

Human-Computer Interaction · Computer Science 2025-06-16 Zhimin Wang , Maohang Rao , Shanghua Ye , Weitao Song , Feng Lu