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Inferring the structural properties of a protein from its amino acid sequence is a challenging yet important problem in biology. Structures are not known for the vast majority of protein sequences, but structure is critical for…

Machine Learning · Computer Science 2019-10-17 Tristan Bepler , Bonnie Berger

Statistical shape modeling is an important tool to characterize variation in anatomical morphology. Typical shapes of interest are measured using 3D imaging and a subsequent pipeline of registration, segmentation, and some extraction of…

Computer Vision and Pattern Recognition · Computer Science 2018-10-02 Riddhish Bhalodia , Shireen Y. Elhabian , Ladislav Kavan , Ross T. Whitaker

Protein structure tokenization converts 3D structures into discrete or vectorized representations, enabling the integration of structural and sequence data. Despite many recent works on structure tokenization, the properties of the…

Machine Learning · Computer Science 2025-11-14 Zijing Liu , Bin Feng , He Cao , Yu Li

While many good textbooks are available on Protein Structure, Molecular Simulations, Thermodynamics and Bioinformatics methods in general, there is no good introductory level book for the field of Structural Bioinformatics. This book aims…

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

While many good textbooks are available on Protein Structure, Molecular Simulations, Thermodynamics and Bioinformatics methods in general, there is no good introductory level book for the field of Structural Bioinformatics. This book aims…

Object viewpoint estimation from 2D images is an essential task in computer vision. However, two issues hinder its progress: scarcity of training data with viewpoint annotations, and a lack of powerful features. Inspired by the growing…

Computer Vision and Pattern Recognition · Computer Science 2015-05-22 Hao Su , Charles R. Qi , Yangyan Li , Leonidas Guibas

This paper presents a new state-of-the-art for document image classification and retrieval, using features learned by deep convolutional neural networks (CNNs). In object and scene analysis, deep neural nets are capable of learning a…

Computer Vision and Pattern Recognition · Computer Science 2015-02-26 Adam W. Harley , Alex Ufkes , Konstantinos G. Derpanis

We investigate the problem of learning category-specific 3D shape reconstruction from a variable number of RGB views of previously unobserved object instances. Most approaches for multiview shape reconstruction operate on sparse shape…

Computer Vision and Pattern Recognition · Computer Science 2019-12-10 Srinath Sridhar , Davis Rempe , Julien Valentin , Sofien Bouaziz , Leonidas J. Guibas

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

3D content creation is referred to as one of the most fundamental tasks of computer graphics. And many 3D modeling algorithms from 2D images or curves have been developed over the past several decades. Designers are allowed to align some…

Graphics · Computer Science 2018-06-25 Zhongping Ji , Xiao Qi , Yigang Wang , Gang Xu , Peng Du , Qing Wu

Classification of proteins based on their structure provides a valuable resource for studying protein structure, function and evolutionary relationships. With the rapidly increasing number of known protein structures, manual and…

Computational Engineering, Finance, and Science · Computer Science 2009-07-14 Oktie Hassanzadeh

The goal of protein representation learning is to extract knowledge from protein databases that can be applied to various protein-related downstream tasks. Although protein sequence, structure, and function are the three key modalities for…

Biomolecules · Quantitative Biology 2024-05-14 Eunji Ko , Seul Lee , Minseon Kim , Dongki Kim

The gesture recognition using motion capture data and depth sensors has recently drawn more attention in vision recognition. Currently most systems only classify dataset with a couple of dozens different actions. Moreover, feature…

Computer Vision and Pattern Recognition · Computer Science 2014-09-02 Kyunghyun Cho , Xi Chen

Proteins play a central role in biology from immune recognition to brain activity. While major advances in machine learning have improved our ability to predict protein structure from sequence, determining protein function from structure…

We propose a transformer-based neural network architecture for multi-object 3D reconstruction from RGB videos. It relies on two alternative ways to represent its knowledge: as a global 3D grid of features and an array of view-specific 2D…

Computer Vision and Pattern Recognition · Computer Science 2022-08-29 Michał J. Tyszkiewicz , Kevis-Kokitsi Maninis , Stefan Popov , Vittorio Ferrari

We simulated the Coulomb explosion dynamics due to the fast ionization induced by high-intensity X-rays in six proteins that share similar atomic content and shape. We followed and projected the trajectory of the fragments onto a virtual…

Deep reinforcement learning augments the reinforcement learning framework and utilizes the powerful representation of deep neural networks. Recent works have demonstrated the remarkable successes of deep reinforcement learning in various…

Computer Vision and Pattern Recognition · Computer Science 2021-08-27 Ngan Le , Vidhiwar Singh Rathour , Kashu Yamazaki , Khoa Luu , Marios Savvides

This paper addresses the visualisation of image classification models, learnt using deep Convolutional Networks (ConvNets). We consider two visualisation techniques, based on computing the gradient of the class score with respect to the…

Computer Vision and Pattern Recognition · Computer Science 2014-04-22 Karen Simonyan , Andrea Vedaldi , Andrew Zisserman

In this paper, we present an application of 2-D convolutional neural networks (2-D CNNs) designed to perform both feature extraction and classification stages as a single organism to solve the highlighted problems. The method uses a network…

Computer Vision and Pattern Recognition · Computer Science 2021-11-01 Shahin Ghazvineh , Gholamreza Nouri , Seyed Hossein Hosseini Lavassani , Vahidreza Gharehbaghi , Andy Nguyen
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