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The forward-forward algorithm presents a new method of training neural networks by updating weights during an inference, performing parameter updates for each layer individually. This immediately reduces memory requirements during training…

Machine Learning · Computer Science 2023-06-28 Michael Hopwood

Background: One-dimensional protein structures such as secondary structures or contact numbers are useful for three-dimensional structure prediction and helpful for intuitive understanding of the sequence-structure relationship. Accurate…

Biomolecules · Quantitative Biology 2007-07-09 Akira R. Kinjo , Ken Nishikawa

Systematic identification of protein function is a key problem in current biology. Most traditional methods fail to identify functionally equivalent proteins if they lack similar sequences, structural data or extensive manual annotations.…

Genomics · Quantitative Biology 2016-03-08 Dan Ofer

The remarkable success of AlphaFold2 in providing accurate atomic-level prediction of protein structures from their amino acid sequence has transformed approaches to the protein folding problem. However, its core paradigm of mapping one…

Applications · Statistics 2025-12-12 Yongkai Chen , Samuel WK Wong , SC Kou

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

Deep neural networks are widely used for classification. These deep models often suffer from a lack of interpretability -- they are particularly difficult to understand because of their non-linear nature. As a result, neural networks are…

Artificial Intelligence · Computer Science 2017-11-22 Oscar Li , Hao Liu , Chaofan Chen , Cynthia Rudin

Learning effective protein representations is critical in a variety of tasks in biology such as predicting protein functions. Recent sequence representation learning methods based on Protein Language Models (PLMs) excel in sequence-based…

Quantitative Methods · Quantitative Biology 2023-10-19 Zuobai Zhang , Chuanrui Wang , Minghao Xu , Vijil Chenthamarakshan , Aurélie Lozano , Payel Das , Jian Tang

This paper aims to classify and locate objects accurately and efficiently, without using bounding box annotations. It is challenging as objects in the wild could appear at arbitrary locations and in different scales. In this paper, we…

Computer Vision and Pattern Recognition · Computer Science 2016-04-14 Chen Sun , Manohar Paluri , Ronan Collobert , Ram Nevatia , Lubomir Bourdev

Protein Structure Predication from sequences of amino acid has gained a remarkable attention in recent years. Even though there are some prediction techniques addressing this problem, the approximate accuracy in predicting the protein…

Computational Engineering, Finance, and Science · Computer Science 2014-01-14 Pokkuluri Kiran Sree , Inamupudi Ramesh Babu , SSSN Usha Devi N

Time series forecasts are widely used to inform decisions. Human decision-makers interpret these forecasts, incorporate prior experience and uncertainty about future outcomes, and then make a decision. In this paper, we propose a new…

Machine Learning · Statistics 2026-05-01 Daniel Andrew Coulson , Martin T. Wells

Advanced automated AI techniques allow us to classify protein sequences and discern their biological families and functions. Conventional approaches for classifying these protein families often focus on extracting N-Gram features from the…

Quantitative Methods · Quantitative Biology 2024-10-24 Bahar Ali , Anwar Shah , Malik Niaz , Musadaq Mansoord , Sami Ullah , Muhammad Adnan

Accurately modeling and designing protein complex structures is a central problem in computational structural biology, with broad implications for understanding cellular function and developing therapeutics. This thesis investigates two…

Machine Learning · Computer Science 2026-05-13 Ziwei Xie

Locating the promoter region in DNA sequences is of paramount importance in the field of bioinformatics. This is a problem widely studied in the literature, however, not yet fully resolved. Some researchers have presented remarkable results…

Machine Learning · Computer Science 2021-12-08 Lauro Moraes , Pedro Silva , Eduardo Luz , Gladston Moreira

Deep learning has been widely used for protein engineering. However, it is limited by the lack of sufficient experimental data to train an accurate model for predicting the functional fitness of high-order mutants. Here, we develop SESNet,…

Quantitative Methods · Quantitative Biology 2023-04-10 Mingchen Li , Liqi Kang , Yi Xiong , Yu Guang Wang , Guisheng Fan , Pan Tan , Liang Hong

Advances in deep learning have opened an era of abundant and accurate predicted protein structures; however, similar progress in protein ensembles has remained elusive. This review highlights several recent research directions towards…

Biomolecules · Quantitative Biology 2025-09-23 Bowen Jing , Bonnie Berger , Tommi Jaakkola

Backpropagation algorithm has been widely used as a mainstream learning procedure for neural networks in the past decade, and has played a significant role in the development of deep learning. However, there exist some limitations…

Computer Vision and Pattern Recognition · Computer Science 2023-12-12 Gongpei Zhao , Tao Wang , Yidong Li , Yi Jin , Congyan Lang , Haibin Ling

We propose a novel visual tracking algorithm based on the representations from a discriminatively trained Convolutional Neural Network (CNN). Our algorithm pretrains a CNN using a large set of videos with tracking ground-truths to obtain a…

Computer Vision and Pattern Recognition · Computer Science 2016-01-07 Hyeonseob Nam , Bohyung Han

This paper introduces a generic method which enables to use conventional deep neural networks as end-to-end one-class classifiers. The method is based on splitting given data from one class into two subsets. In one-class classification,…

Machine Learning · Computer Science 2019-09-17 Patrick Schlachter , Yiwen Liao , Bin Yang

We present a simple, modular graph-based convolutional neural network that takes structural information from protein-ligand complexes as input to generate models for activity and binding mode prediction. Complex structures are generated by…

Biomolecules · Quantitative Biology 2020-02-26 Joseph A. Morrone , Jeffrey K. Weber , Tien Huynh , Heng Luo , Wendy D. Cornell

The prior knowledge (a.k.a. priors) integrated into the design of a machine learning system strongly influences its generalization abilities. In the specific context of deep learning, some of these priors are poorly understood as they…

Machine Learning · Computer Science 2022-03-17 Simon Carbonnelle