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In this work we set out to find a method to classify protein structures using a Deep Learning methodology. Our Artificial Intelligence has been trained to recognize complex biomolecule structures extrapolated from the Protein Data Bank…

Machine Learning · Computer Science 2021-11-04 Damiano Perri , Marco Simonetti , Andrea Lombardi , Noelia Faginas-Lago , Osvaldo Gervasi

Computational drug discovery provides an efficient tool helping large scale lead molecules screening. One of the major tasks of lead discovery is identifying molecules with promising binding affinities towards a target, a protein in…

Biological Physics · Physics 2019-09-18 Liangzhen Zheng , Jingrong Fan , Yuguang Mu

Breast cancer has become one of the most prevalent cancers by which people all over the world are affected and is posed serious threats to human beings, in a particular woman. In order to provide effective treatment or prevention of this…

Image and Video Processing · Electrical Eng. & Systems 2021-07-15 Pouya Hallaj Zavareh , Atefeh Safayari , Hamidreza Bolhasani

Deep learning, especially convolutional neural networks, has triggered accelerated advancements in computer vision, bringing changes into our daily practice. Furthermore, the standardized deep learning modules (also known as backbone…

Computer Vision and Pattern Recognition · Computer Science 2022-12-02 Hongzhi Zhu , Robert Rohling , Septimiu Salcudean

Prognostic task is of great importance as it closely related to the survival analysis of patients, the optimization of treatment plans and the allocation of resources. The existing prognostic models have shown promising results on specific…

Image and Video Processing · Electrical Eng. & Systems 2025-01-14 Binyu Zhang , Shichao Li , Junpeng Jian , Zhu Meng , Limei Guo , Zhicheng Zhao

Protein language models often take into consideration the alignment between a protein sequence and its textual description. However, they do not take structural information into consideration. Traditional methods treat sequence and…

Machine Learning · Computer Science 2026-03-10 Aditya Ranganath , Hasin Us Sami , Kowshik Thopalli , Bhavya Kailkhura , Wesam Sakla

Densely connected convolutional networks (DenseNet) behave well in image processing. However, for regression tasks, convolutional DenseNet may lose essential information from independent input features. To tackle this issue, we propose a…

Machine Learning · Computer Science 2022-07-13 Chao Jiang , Canchen Jiang , Dongwei Chen , Fei Hu

Many applications of machine learning methods involve an iterative protocol in which data are collected, a model is trained, and then outputs of that model are used to choose what data to consider next. For example, one data-driven approach…

Machine Learning · Computer Science 2025-04-07 Clara Fannjiang , Stephen Bates , Anastasios N. Angelopoulos , Jennifer Listgarten , Michael I. Jordan

Understanding protein sequences is vital and urgent for biology, healthcare, and medicine. Labeling approaches are expensive yet time-consuming, while the amount of unlabeled data is increasing quite faster than that of the labeled data due…

Computation and Language · Computer Science 2021-11-01 Liang He , Shizhuo Zhang , Lijun Wu , Huanhuan Xia , Fusong Ju , He Zhang , Siyuan Liu , Yingce Xia , Jianwei Zhu , Pan Deng , Bin Shao , Tao Qin , Tie-Yan Liu

The present gap between the amount of available protein sequence due to the development of next generation sequencing technology (NGS) and slow and expensive experimental extraction of useful information like annotation of protein sequence…

Computer Vision and Pattern Recognition · Computer Science 2018-11-02 Sheikh Muhammad Saiful Islam , Md Mahedi Hasan

Machine learning has been widely used in healthcare applications to approximate complex models, for clinical diagnosis, prognosis, and treatment. As deep learning has the outstanding ability to extract information from time series, its true…

Machine Learning · Computer Science 2022-11-14 Ke Liao , Wei Wang , Armagan Elibol , Lingzhong Meng , Xu Zhao , Nak Young Chong

Proteins play a pivotal role in biological systems. The use of machine learning algorithms for protein classification can assist and even guide biological experiments, offering crucial insights for biotechnological applications. We…

Quantitative Methods · Quantitative Biology 2024-10-24 Yizheng Wang , Yixiao Zhai , Yijie Ding , Quan Zou

Deep learning approaches have produced substantial breakthroughs in fields such as image classification and natural language processing and are making rapid inroads in the area of protein design. Many generative models of proteins have been…

Machine Learning · Computer Science 2021-09-29 Alexey Strokach , Philip M. Kim

In recent years, deep learning techniques have made significant strides in molecular generation for specific targets, driving advancements in drug discovery. However, existing molecular generation methods present significant limitations:…

Machine Learning · Computer Science 2025-03-12 Taojie Kuang , Qianli Ma , Athanasios V. Vasilakos , Yu Wang , Qiang , Cheng , Zhixiang Ren

Accurate localization of proteins from fluorescence microscopy images is challenging due to the inter-class similarities and intra-class disparities introducing grave concerns in addressing multi-class classification problems. Conventional…

Computer Vision and Pattern Recognition · Computer Science 2021-10-11 Muhammad Tahir , Saeed Anwar , Ajmal Mian , Abdul Wahab Muzaffar

The success of deep learning depends on finding an architecture to fit the task. As deep learning has scaled up to more challenging tasks, the architectures have become difficult to design by hand. This paper proposes an automated method,…

Neural and Evolutionary Computing · Computer Science 2017-03-07 Risto Miikkulainen , Jason Liang , Elliot Meyerson , Aditya Rawal , Dan Fink , Olivier Francon , Bala Raju , Hormoz Shahrzad , Arshak Navruzyan , Nigel Duffy , Babak Hodjat

Penalized linear regression is of fundamental importance in high-dimensional statistics and has been routinely used to regress a response on a high-dimensional set of predictors. In many scientific applications, there exists external…

Methodology · Statistics 2023-02-21 Sandipan Pramanik , Xianyang Zhang

Directed evolution is an iterative laboratory process of designing proteins with improved function by iteratively synthesizing new protein variants and evaluating their desired property with expensive and time-consuming biochemical…

Machine Learning · Computer Science 2025-09-08 Matouš Soldát , Jiří Kléma

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

We introduce a protein language model for determining the complete sequence of a peptide based on measurement of a limited set of amino acids. To date, protein sequencing relies on mass spectrometry, with some novel edman degregation based…