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Proteins are the basic building blocks of life. They usually perform functions by folding to a particular structure. Understanding the folding process could help the researchers to understand the functions of proteins and could also help to…

Computational Engineering, Finance, and Science · Computer Science 2015-10-21 Jianzhu Ma

Predicting phenotypes from gene expression data is a crucial task in biomedical research, enabling insights into disease mechanisms, drug responses, and personalized medicine. Traditional machine learning and deep learning rely on…

Machine Learning · Computer Science 2025-09-18 Kevin Dradjat , Massinissa Hamidi , Pierre Bartet , Blaise Hanczar

Understanding and leveraging the 3D structures of proteins is central to a variety of biological and drug discovery tasks. While deep learning has been applied successfully for structure-based protein function prediction tasks, current…

Machine Learning · Computer Science 2024-04-03 Rong Han , Wenbing Huang , Lingxiao Luo , Xinyan Han , Jiaming Shen , Zhiqiang Zhang , Jun Zhou , Ting Chen

Deep learning has made significant progress in protein structure prediction, advancing the development of computational biology. However, despite the high accuracy achieved in predicting single-chain structures, a significant number of…

Biomolecules · Quantitative Biology 2024-03-08 Zhaoqun Li , Jingcheng Yu , Qiwei Ye

In the 21st-century information age, with the development of big data technology, effectively extracting valuable information from massive data has become a key issue. Traditional data mining methods are inadequate when faced with…

Computer Vision and Pattern Recognition · Computer Science 2024-11-28 Aoran Shen , Minghao Dai , Jiacheng Hu , Yingbin Liang , Shiru Wang , Junliang Du

After AlphaFold won the Nobel Prize, protein prediction with deep learning once again became a hot topic. We comprehensively explore advanced deep learning methods applied to protein structure prediction and design. It begins by examining…

Knowing the location of a protein within the cell is important for understanding its function, role in biological processes, and potential use as a drug target. Much progress has been made in developing computational methods that predict…

Quantitative Methods · Quantitative Biology 2013-08-02 Ramanuja Simha , Hagit Shatkay

The diverse nature of protein prediction tasks has traditionally necessitated specialized models, hindering the development of broadly applicable and computationally efficient Protein Language Models (PLMs). In this work, we introduce…

Bridging the exponentially growing gap between the numbers of unlabeled and labeled protein sequences, several studies adopted semi-supervised learning for protein sequence modeling. In these studies, models were pre-trained with a…

Biomolecules · Quantitative Biology 2021-09-20 Seonwoo Min , Seunghyun Park , Siwon Kim , Hyun-Soo Choi , Byunghan Lee , Sungroh Yoon

The temporal dynamics of a complex system such as a social network or a communication network can be studied by understanding the patterns of link appearance and disappearance over time. A critical task along this understanding is to…

Social and Information Networks · Computer Science 2018-04-17 Mahmudur Rahman , Tanay Kumar Saha , Mohammad Al Hasan , Kevin S. Xu , Chandan K. Reddy

Deep neural networks, particularly Transformers, have been widely adopted for predicting the functional properties of proteins. In this work, we focus on exploring whether Protein Transformers can capture biological intelligence among…

Machine Learning · Computer Science 2025-06-10 Fudong Lin , Wanrou Du , Jinchan Liu , Tarikul Milon , Shelby Meche , Wu Xu , Xiaoqi Qin , Xu Yuan

Recent years have witnessed a surge in the development of protein foundation models, significantly improving performance in protein prediction and generative tasks ranging from 3D structure prediction and protein design to conformational…

Quantitative Methods · Quantitative Biology 2024-10-08 Fei Ye , Zaixiang Zheng , Dongyu Xue , Yuning Shen , Lihao Wang , Yiming Ma , Yan Wang , Xinyou Wang , Xiangxin Zhou , Quanquan Gu

Convolutional neural networks (CNNs) are widely used for image recognition and text analysis, and have been suggested for application on one-dimensional data as a way to reduce the need for pre-processing steps. Pre-processing is an…

Machine Learning · Computer Science 2020-05-18 Ine L. Jernelv , Dag Roar Hjelme , Yuji Matsuura , Astrid Aksnes

Zooplankton images, like many other real world data types, have intrinsic properties that make the design of effective classification systems difficult. For instance, the number of classes encountered in practical settings is potentially…

Computer Vision and Pattern Recognition · Computer Science 2019-09-26 Ketil Malde , Hyeongji Kim

Background: The increasing volume and variety of genotypic and phenotypic data is a major defining characteristic of modern biomedical sciences. At the same time, the limitations in technology for generating data and the inherently…

Quantitative Methods · Quantitative Biology 2016-12-07 Yuxiang Jiang , Tal Ronnen Oron , Wyatt T Clark , Asma R Bankapur , Daniel D'Andrea , Rosalba Lepore , Christopher S Funk , Indika Kahanda , Karin M Verspoor , Asa Ben-Hur , Emily Koo , Duncan Penfold-Brown , Dennis Shasha , Noah Youngs , Richard Bonneau , Alexandra Lin , Sayed ME Sahraeian , Pier Luigi Martelli , Giuseppe Profiti , Rita Casadio , Renzhi Cao , Zhaolong Zhong , Jianlin Cheng , Adrian Altenhoff , Nives Skunca , Christophe Dessimoz , Tunca Dogan , Kai Hakala , Suwisa Kaewphan , Farrokh Mehryary , Tapio Salakoski , Filip Ginter , Hai Fang , Ben Smithers , Matt Oates , Julian Gough , Petri Törönen , Patrik Koskinen , Liisa Holm , Ching-Tai Chen , Wen-Lian Hsu , Kevin Bryson , Domenico Cozzetto , Federico Minneci , David T Jones , Samuel Chapman , Dukka B K. C. , Ishita K Khan , Daisuke Kihara , Dan Ofer , Nadav Rappoport , Amos Stern , Elena Cibrian-Uhalte , Paul Denny , Rebecca E Foulger , Reija Hieta , Duncan Legge , Ruth C Lovering , Michele Magrane , Anna N Melidoni , Prudence Mutowo-Meullenet , Klemens Pichler , Aleksandra Shypitsyna , Biao Li , Pooya Zakeri , Sarah ElShal , Léon-Charles Tranchevent , Sayoni Das , Natalie L Dawson , David Lee , Jonathan G Lees , Ian Sillitoe , Prajwal Bhat , Tamás Nepusz , Alfonso E Romero , Rajkumar Sasidharan , Haixuan Yang , Alberto Paccanaro , Jesse Gillis , Adriana E Sedeño-Cortés , Paul Pavlidis , Shou Feng , Juan M Cejuela , Tatyana Goldberg , Tobias Hamp , Lothar Richter , Asaf Salamov , Toni Gabaldon , Marina Marcet-Houben , Fran Supek , Qingtian Gong , Wei Ning , Yuanpeng Zhou , Weidong Tian , Marco Falda , Paolo Fontana , Enrico Lavezzo , Stefano Toppo , Carlo Ferrari , Manuel Giollo , Damiano Piovesan , Silvio Tosatto , Angela del Pozo , José M Fernández , Paolo Maietta , Alfonso Valencia , Michael L Tress , Alfredo Benso , Stefano Di Carlo , Gianfranco Politano , Alessandro Savino , Hafeez Ur Rehman , Matteo Re , Marco Mesiti , Giorgio Valentini , Joachim W Bargsten , Aalt DJ van Dijk , Branislava Gemovic , Sanja Glisic , Vladmir Perovic , Veljko Veljkovic , Nevena Veljkovic , Danillo C Almeida-e-Silva , Ricardo ZN Vencio , Malvika Sharan , Jörg Vogel , Lakesh Kansakar , Shanshan Zhang , Slobodan Vucetic , Zheng Wang , Michael JE Sternberg , Mark N Wass , Rachael P Huntley , Maria J Martin , Claire O'Donovan , Peter N Robinson , Yves Moreau , Anna Tramontano , Patricia C Babbitt , Steven E Brenner , Michal Linial , Christine A Orengo , Burkhard Rost , Casey S Greene , Sean D Mooney , Iddo Friedberg , Predrag Radivojac

Designing novel functional proteins crucially depends on accurately modeling their fitness landscape. Given the limited availability of functional annotations from wet-lab experiments, previous methods have primarily relied on…

Machine Learning · Computer Science 2024-12-03 Zuobai Zhang , Pascal Notin , Yining Huang , Aurélie Lozano , Vijil Chenthamarakshan , Debora Marks , Payel Das , Jian Tang

Figuring out small molecule binding sites in target proteins, in the resolution of either pocket or residue, is critical in many virtual and real drug-discovery scenarios. Since it is not always easy to find such binding sites based on…

Quantitative Methods · Quantitative Biology 2023-04-19 Daeseok Lee , Jeunghyun Byun , Bonggun Shin

Recognizing human activities in a sequence is a challenging area of research in ubiquitous computing. Most approaches use a fixed size sliding window over consecutive samples to extract features---either handcrafted or learned…

Computer Vision and Pattern Recognition · Computer Science 2017-02-22 Rui Yao , Guosheng Lin , Qinfeng Shi , Damith Ranasinghe

Classifying protein topology is essential for deciphering biological function, but progress is held back by the lack of large-scale benchmarks that avoid duplicates and by models that do not scale well. We introduce TEDBench, a large-scale,…

Machine Learning · Computer Science 2026-05-19 Dexiong Chen , Andrei Manolache , Mathias Niepert , Karsten Borgwardt

Machine- and deep-learning approaches for biological sequences depend critically on transforming raw DNA, RNA, and protein FASTA files into informative numerical representations. However, this process is often fragmented across multiple…

Genomics · Quantitative Biology 2025-12-01 Hamid Ismail , Marwan Bikdash