English
Related papers

Related papers: Machine learning-guided directed evolution for pro…

200 papers

Machine learning (ML) has been playing important roles in drug discovery in the past years by providing (pre-)screening tools for prioritising chemical compounds to pass through wet lab experiments. One of the main ML tasks in drug…

Biomolecules · Quantitative Biology 2025-02-25 Alex G. C. de Sá , David B. Ascher

Transitioning from fossil fuels to renewable energy sources is a critical global challenge; it demands advances at the levels of materials, devices, and systems for the efficient harvesting, storage, conversion, and management of renewable…

Protein function prediction is a pivotal task in drug discovery, significantly impacting the development of effective and safe therapeutics. Traditional machine learning models often struggle with the complexity and variability inherent in…

Machine Learning · Computer Science 2024-09-24 Bohao Xu , Yingzhou Lu , Yoshitaka Inoue , Namkyeong Lee , Tianfan Fu , Jintai Chen

Proteins are sequences of amino acids that serve as the basic building blocks of living organisms. Despite rapidly growing databases documenting structural and functional information for various protein sequences, our understanding of…

Biomolecules · Quantitative Biology 2025-01-06 Weihang Dai

The emergence of machine learning (ML) has led to a transformative shift in software techniques and guidelines for building software applications that support data analysis process activities such as data ingestion, modeling, and…

Software Engineering · Computer Science 2025-01-03 Cristina Tavares , Nathalia Nascimento , Paulo Alencar , Donald Cowan

Purpose: We address the challenge of inaccurate parameter estimation in diffusion MRI when the signal-to-noise ratio (SNR) is very low, as in the spinal cord. The accuracy of conventional maximum-likelihood estimation (MLE) depends highly…

In the context of aircraft system performance assessment, deep learning technologies allow to quickly infer models from experimental measurements, with less detailed system knowledge than usually required by physics-based modeling. However,…

Machine Learning · Computer Science 2022-09-09 Houssem Ben Braiek , Thomas Reid , Foutse Khomh

Machine learning (ML) has revolutionized medical prognostics by integrating advanced algorithms with clinical data to enhance disease prediction, risk assessment, and patient outcome forecasting. This comprehensive review critically…

Machine Learning · Computer Science 2024-08-06 Michael Fascia

Deep Metric Learning (DML) methods have been proven relevant for visual similarity learning. However, they sometimes lack generalization properties because they are trained often using an inappropriate sample selection strategy or due to…

Computer Vision and Pattern Recognition · Computer Science 2022-06-07 Jorge Gonzalez-Zapata , Ivan Reyes-Amezcua , Daniel Flores-Araiza , Mauricio Mendez-Ruiz , Gilberto Ochoa-Ruiz , Andres Mendez-Vazquez

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

Supervised machine learning involves approximating an unknown functional relationship from a limited dataset of features and corresponding labels. The classical approach to feature-based machine learning typically relies on applying linear…

Machine Learning · Statistics 2025-04-25 Margherita Lampani , Sabrina Guastavino , Michele Piana , Federico Benvenuto

Proteins are essential macromolecules defined by their amino acid sequences, which determine their three-dimensional structures and, consequently, their functions in all living organisms. Therefore, generative protein modeling necessitates…

Machine Learning · Computer Science 2024-10-18 Xinyou Wang , Zaixiang Zheng , Fei Ye , Dongyu Xue , Shujian Huang , Quanquan Gu

Software engineering (SE) is a dynamic field that involves multiple phases all of which are necessary to develop sustainable software systems. Machine learning (ML), a branch of artificial intelligence (AI), has drawn a lot of attention in…

Software Engineering · Computer Science 2024-06-21 Nyaga Fred , I. O. Temkin

Proteins are the fundamental macromolecules that play diverse and crucial roles in all living matter and have tremendous implications in healthcare, manufacturing, and biotechnology. Their functions are largely determined by the sequences…

Biomolecules · Quantitative Biology 2024-09-17 Boqiao Lai

Generative modeling has become a central paradigm in protein research, extending machine learning beyond structure prediction toward sequence design, backbone generation, inverse folding, and biomolecular interaction modeling. However, the…

Machine Learning · Computer Science 2026-03-30 Senura Hansaja Wanasekara , Minh-Duong Nguyen , Xiaochen Liu , Nguyen H. Tran , Ken-Tye Yong

Deep Learning and big data have shown tremendous success in bioinformatics and computational biology in recent years; artificial intelligence methods have also significantly contributed in the task of protein function classification. This…

Biomolecules · Quantitative Biology 2022-11-18 Divyanshu Aggarwal , Yasha Hasija

The emergence and continued reliance on the Internet and related technologies has resulted in the generation of large amounts of data that can be made available for analyses. However, humans do not possess the cognitive capabilities to…

Machine Learning · Computer Science 2021-01-12 MohammadNoor Injadat , Abdallah Moubayed , Ali Bou Nassif , Abdallah Shami

Representation learning has been widely studied in the context of meta-learning, enabling rapid learning of new tasks through shared representations. Recent works such as MAML have explored using fine-tuning-based metrics, which measure the…

Machine Learning · Computer Science 2021-05-06 Kurtland Chua , Qi Lei , Jason D. Lee

In this survey paper, we systematically summarize existing literature on bearing fault diagnostics with machine learning (ML) and data mining techniques. While conventional ML methods, including artificial neural network (ANN), principal…

Machine Learning · Computer Science 2020-02-20 Shen Zhang , Shibo Zhang , Bingnan Wang , Thomas G. Habetler

The rise of Big Data has led to new demands for Machine Learning (ML) systems to learn complex models with millions to billions of parameters, that promise adequate capacity to digest massive datasets and offer powerful predictive analytics…

Machine Learning · Statistics 2016-01-01 Eric P. Xing , Qirong Ho , Pengtao Xie , Wei Dai