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Therapeutic antibodies have been extensively studied in drug discovery and development in the past decades. Antibodies are specialized protective proteins that bind to antigens in a lock-to-key manner. The binding strength/affinity between…

Machine Learning · Computer Science 2024-06-21 Bohao Xu , Yanbo Wang , Wenyu Chen , Shimin Shan

For many decades, experimental solid mechanics has played a crucial role in characterizing and understanding the mechanical properties of natural and novel materials. Recent advances in machine learning (ML) provide new opportunities for…

Machine Learning · Computer Science 2023-09-07 Hanxun Jin , Enrui Zhang , Horacio D. Espinosa

Machine learning (ML) - based software systems are rapidly gaining adoption across various domains, making it increasingly essential to ensure they perform as intended. This report presents best practices for the Test and Evaluation (T&E)…

Software Engineering · Computer Science 2023-10-11 Jaganmohan Chandrasekaran , Tyler Cody , Nicola McCarthy , Erin Lanus , Laura Freeman

Development of machine learning (ML) applications is hard. Producing successful applications requires, among others, being deeply familiar with a variety of complex and quickly evolving application programming interfaces (APIs). It is…

Software Engineering · Computer Science 2022-03-30 Lars Reimann , Günter Kniesel-Wünsche

Given the growing complexity of healthcare data over the last several years, using machine learning techniques like Deep Neural Network (DNN) models has gained increased appeal. In order to extract hidden patterns and other valuable…

Machine Learning · Computer Science 2023-10-03 Hasan Hejbari Zargar , Saha Hejbari Zargar , Raziye Mehri

Fostered by novel analytical techniques, digitalization and automation, modern bioprocess development provides high amounts of heterogeneous experimental data, containing valuable process information. In this context, data-driven methods…

Machine Learning · Computer Science 2022-10-06 Laura Marie Helleckes , Johannes Hemmerich , Wolfgang Wiechert , Eric von Lieres , Alexander Grünberger

The rapid global aging trend has led to an increase in dementia cases, including Alzheimer's disease, underscoring the urgent need for early and accurate diagnostic methods. Traditional diagnostic techniques, such as cognitive tests,…

Machine Learning · Computer Science 2024-09-06 Juan A. Berrios Moya

Molecular Dynamics (MD) simulation is widely used to analyze the properties of molecules and materials. Most practical applications, such as comparison with experimental measurements, designing drug molecules, or optimizing materials, rely…

Chemical Physics · Physics 2018-12-20 Frank Noé

Hardly any other area of research has recently attracted as much attention as machine learning (ML) through the rapid advances in artificial intelligence (AI). This publication provides a short introduction to practical concepts and methods…

General Economics · Economics 2020-12-17 Ali R. Baghirzade

Understanding the relationship between antibody sequence, structure and function is essential for the design of antibody-based therapeutics and research tools. Recently, machine learning (ML) models mostly based on the application of large…

Quantitative Methods · Quantitative Biology 2025-10-29 Kevin Michalewicz , Mauricio Barahona , Barbara Bravi

This study explores the application and performance of Transformational Machine Learning (TML) in drug discovery. TML, a meta learning algorithm, excels in exploiting common attributes across various domains, thus developing composite…

Biomolecules · Quantitative Biology 2023-10-02 Adnan Mahmud , Oghenejokpeme Orhobor , Ross D. King

Machine learning (ML) and deep learning (DL) models have been employed to significantly improve analyses of medical imagery, with these approaches used to enhance the accuracy of prediction and classification. Model predictions and…

Image and Video Processing · Electrical Eng. & Systems 2023-08-22 Rabia Asghar , Sanjay Kumar , Paul Hynds , Arslan Shaukat

The uptake of machine learning (ML) approaches in the social and health sciences has been rather slow, and research using ML for social and health research questions remains fragmented. This may be due to the separate development of…

In an era of escalating cyber threats, malware poses significant risks to individuals and organizations, potentially leading to data breaches, system failures, and substantial financial losses. This study addresses the urgent need for…

Cryptography and Security · Computer Science 2025-01-28 Marzieh Esnaashari , Nima Moradi

Machine learning (ML) is a subfield of artificial intelligence. The term applies broadly to a collection of computational algorithms and techniques that train systems from raw data rather than a priori models. ML techniques are now…

In recent years machine learning (ML) took bio- and cheminformatics fields by storm, providing new solutions for a vast repertoire of problems related to protein sequence, structure, and interactions analysis. ML techniques, deep neural…

Biomolecules · Quantitative Biology 2020-03-31 Marta M. Stepniewska-Dziubinska , Piotr Zielenkiewicz , Pawel Siedlecki

Malware detection is a ubiquitous application of Machine Learning (ML) in security. In behavioral malware analysis, the detector relies on features extracted from program execution traces. The research literature has focused on detectors…

Cryptography and Security · Computer Science 2025-03-10 Yigitcan Kaya , Yizheng Chen , Marcus Botacin , Shoumik Saha , Fabio Pierazzi , Lorenzo Cavallaro , David Wagner , Tudor Dumitras

Machine learning models are vulnerable to adversarial inputs that induce seemingly unjustifiable errors. As automated classifiers are increasingly used in industrial control systems and machinery, these adversarial errors could grow to be a…

Machine learning (ML) is the field of training machines to achieve high level of cognition and perform human-like analysis. Since ML is a data-driven approach, it seemingly fits into our daily lives and operations as well as complex and…

Machine Learning · Computer Science 2021-11-25 M. Z. Naser , Amir Alavi

Antibody therapeutics has been extensively studied in drug discovery and development within the past decades. One increasingly popular focus in the antibody discovery pipeline is the optimization step for therapeutic leads. Both traditional…

Biomolecules · Quantitative Biology 2022-08-16 Yue Kang , Dawei Leng , Jinjiang Guo , Lurong Pan