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How to develop slim and accurate deep neural networks has become crucial for real- world applications, especially for those employed in embedded systems. Though previous work along this research line has shown some promising results, most…

Neural and Evolutionary Computing · Computer Science 2019-10-02 Xin Dong , Shangyu Chen , Sinno Jialin Pan

Big neural networks trained on large datasets have advanced the state-of-the-art for a large variety of challenging problems, improving performance by a large margin. However, under low memory and limited computational power constraints,…

Computer Vision and Pattern Recognition · Computer Science 2019-04-12 Adrian Bulat , Georgios Tzimiropoulos , Jean Kossaifi , Maja Pantic

Proteins adopt multiple structural conformations to perform their diverse biological functions, and understanding these conformations is crucial for advancing drug discovery. Traditional physics-based simulation methods often struggle with…

Biomolecules · Quantitative Biology 2025-03-14 Jiarui Lu , Xiaoyin Chen , Stephen Zhewen Lu , Chence Shi , Hongyu Guo , Yoshua Bengio , Jian Tang

In this study, we propose a novel deep learning-based method to predict an optimized structure for a given boundary condition and optimization setting without using any iterative scheme. For this purpose, first, using open-source topology…

Machine Learning · Computer Science 2018-10-30 Yonggyun Yu , Taeil Hur , Jaeho Jung , In Gwun Jang

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

One key task in virtual screening is to accurately predict the binding affinity ($\triangle$$G$) of protein-ligand complexes. Recently, deep learning (DL) has significantly increased the predicting accuracy of scoring functions due to the…

Quantitative Methods · Quantitative Biology 2022-06-28 Zechen Wang , Liangzhen Zheng , Yang Liu , Yuanyuan Qu , Yong-Qiang Li , Mingwen Zhao , Yuguang Mu , Weifeng Li

We present a deep transformation model for probabilistic regression. Deep learning is known for outstandingly accurate predictions on complex data but in regression tasks, it is predominantly used to just predict a single number. This…

Machine Learning · Statistics 2020-04-02 Beate Sick , Torsten Hothorn , Oliver Dürr

Protein contacts provide key information for the understanding of protein structure and function, and therefore contact prediction from sequences is an important problem. Recent research shows that some correctly predicted long-range…

Quantitative Methods · Quantitative Biology 2020-09-02 Siqi Sun

In recent era prediction of enzyme class from an unknown protein is one of the challenging tasks in bioinformatics. Day to day the number of proteins is increases as result the prediction of enzyme class gives a new opportunity to…

Machine Learning · Computer Science 2019-01-21 Chhote Lal Prasad Gupta , Anand Bihari , Sudhakar Tripathi

Current state-of-the-art speech recognition systems build on recurrent neural networks for acoustic and/or language modeling, and rely on feature extraction pipelines to extract mel-filterbanks or cepstral coefficients. In this paper we…

Computation and Language · Computer Science 2019-04-10 Neil Zeghidour , Qiantong Xu , Vitaliy Liptchinsky , Nicolas Usunier , Gabriel Synnaeve , Ronan Collobert

The goal of our research is to develop methods advancing automatic visual recognition. In order to predict the unique or multiple labels associated to an image, we study different kind of Deep Neural Networks architectures and methods for…

Computer Vision and Pattern Recognition · Computer Science 2016-10-19 Rémi Cadène , Nicolas Thome , Matthieu Cord

Building on our prior explorations of convolutional neural networks (CNNs) for financial data processing, this paper introduces two significant enhancements to refine our CNN model's predictive performance and robustness for financial…

Computational Finance · Quantitative Finance 2024-08-23 Sina Montazeri , Haseebullah Jumakhan , Sonia Abrasiabian , Amir Mirzaeinia

Protein secondary structure prediction (PSSP) is essential for protein function analysis. However, for low homologous proteins, the PSSP suffers from insufficient input features. In this paper, we explicitly import external self-supervised…

Quantitative Methods · Quantitative Biology 2021-08-10 Qin Wang , Jun Wei , Boyuan Wang , Zhen Li1 , Sheng Wang , Shuguang Cu

Convolutional Neural Networks (CNNs) do not have a predictable recognition behavior with respect to the input resolution change. This prevents the feasibility of deployment on different input image resolutions for a specific model. To…

Computer Vision and Pattern Recognition · Computer Science 2020-07-14 Duo Li , Anbang Yao , Qifeng Chen

Unsupervised pretraining and dropout have been well studied, especially with respect to regularization and output consistency. However, our understanding about the explicit convergence rates of the parameter estimates, and their dependence…

Machine Learning · Computer Science 2017-02-23 Vamsi K. Ithapu , Sathya Ravi , Vikas Singh

Our goal is to provide a review of deep learning methods which provide insight into structured high-dimensional data. Rather than using shallow additive architectures common to most statistical models, deep learning uses layers of…

Machine Learning · Statistics 2023-10-11 Nick Polson , Vadim Sokolov

Deep convolutional neural networks (DCNNs) have shown remarkable performance in image classification tasks in recent years. Generally, deep neural network architectures are stacks consisting of a large number of convolutional layers, and…

Computer Vision and Pattern Recognition · Computer Science 2017-09-07 Dongyoon Han , Jiwhan Kim , Junmo Kim

Recently, deep learning methods such as the convolutional neural networks have gained prominence in the area of image denoising. This is owing to their proven ability to surpass state-of-the-art classical image denoising algorithms such as…

Image and Video Processing · Electrical Eng. & Systems 2024-09-02 Basit O. Alawode , Mudassir Masood

Motivation: Drug discovery demands rapid quantification of compound-protein interaction (CPI). However, there is a lack of methods that can predict compound-protein affinity from sequences alone with high applicability, accuracy, and…

Biomolecules · Quantitative Biology 2020-12-17 Mostafa Karimi , Di Wu , Zhangyang Wang , Yang Shen

The protein backbone is described as a smooth curved and twisted line in three-dimensional (3D) space and characterized by its curvature $\kappa(s)$ and torsion $\tau(s)$ both expressed as a function of arc length s. It is shown that the…

Biomolecules · Quantitative Biology 2008-11-24 Sushilee Ranganathan , Dmitry Izotov , Elfi Kraka , Dieter Cremer
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