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Herein we review aspects of leading-edge research and innovation in chemistry which exploits big data and machine learning (ML), two computer science fields that combine to yield machine intelligence. ML can accelerate the solution of…

Many mechanical engineering applications call for multiscale computational modeling and simulation. However, solving for complex multiscale systems remains computationally onerous due to the high dimensionality of the solution space.…

Machine Learning · Computer Science 2023-03-23 Phong C. H. Nguyen , Joseph B. Choi , H. S. Udaykumar , Stephen Baek

The influence of machine learning (ML) is quickly spreading, and a number of recent technological innovations have applied ML as a central technology. However, ML development still requires a substantial amount of human expertise to be…

Machine Learning · Computer Science 2021-05-04 Simon Enni , Ira Assent

Machine learning (ML)-based solutions are rapidly changing the landscape of many fields, including structural engineering. Despite their promising performance, these approaches are usually only demonstrated as proof-of-concept in structural…

Machine Learning · Computer Science 2025-08-20 Mohsen Zaker Esteghamati , Brennan Bean , Henry V. Burton , M. Z. Naser

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

In this article, we discuss some of the recent developments in applying machine learning (ML) techniques to nonlinear dynamical systems. In particular, we demonstrate how to build a suitable ML framework for addressing two specific…

Adaptation and Self-Organizing Systems · Physics 2020-11-30 Sayan Roy , Debanjan Rana

Automated industries lead to high quality production, lower manufacturing cost and better utilization of human resources. Robotic manipulator arms have major role in the automation process. However, for complex manipulation tasks, hard…

The traditional Machine Learning (ML) methodology requires to fragment the development and experimental process into disconnected iterations whose feedback is used to guide design or tuning choices. This methodology has multiple efficiency…

Machine Learning · Computer Science 2022-11-08 Andrea Gesmundo

This chapter is a preprint from our book by , focusing on leveraging machine learning (ML) in chemical and polyolefin manufacturing optimization. It's crafted for both novices and seasoned professionals keen on the latest ML applications in…

Machine Learning · Computer Science 2024-01-23 Niket Sharma , Y. A. Liu

Modern approach to artificial intelligence (AI) aims to design algorithms that learn directly from data. This approach has achieved impressive results and has contributed significantly to the progress of AI, particularly in the sphere of…

Machine Learning · Computer Science 2024-03-20 Alhassan Mumuni , Fuseini Mumuni

Nowadays, intelligent systems and services are getting increasingly popular as they provide data-driven solutions to diverse real-world problems, thanks to recent breakthroughs in Artificial Intelligence (AI) and Machine Learning (ML).…

Software Engineering · Computer Science 2022-01-03 Md Saidur Rahman , Foutse Khomh , Alaleh Hamidi , Jinghui Cheng , Giuliano Antoniol , Hironori Washizaki

Machine learning (ML) has emerged as a powerful tool for tackling complex regression and classification tasks, yet its success often hinges on the quality of training data. This study introduces an ML paradigm inspired by domain knowledge…

Machine Learning · Computer Science 2025-01-10 Mohsen Rashki

Molecular dynamics (MD) has become a powerful tool for studying biophysical systems, due to increasing computational power and availability of software. Although MD has made many contributions to better understanding these complex…

Computational Physics · Physics 2019-09-27 Yihang Wang , Joao Marcelo Lamim Ribeiro , Pratyush Tiwary

There has been considerable growth and interest in industrial applications of machine learning (ML) in recent years. ML engineers, as a consequence, are in high demand across the industry, yet improving the efficiency of ML engineers…

Machine Learning · Computer Science 2020-05-05 Anh Truong , Austin Walters , Jeremy Goodsitt , Keegan Hines , C. Bayan Bruss , Reza Farivar

Machine learning (ML) is transforming all areas of science. The complex and time-consuming calculations in molecular simulations are particularly suitable for a machine learning revolution and have already been profoundly impacted by the…

Chemical Physics · Physics 2019-11-11 Frank Noé , Alexandre Tkatchenko , Klaus-Robert Müller , Cecilia Clementi

Advancements in scientific instrument sensors and connected devices provide unprecedented insight into ongoing experiments and present new opportunities for control, optimization, and steering. However, the diversity of sensors and…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-05-04 Jakob R. Elias , Ryan Chard , Maksim Levental , Zhengchun Liu , Ian Foster , Santanu Chaudhuri

Machine learning (ML) is a rapidly evolving technology with expanding applications across various fields. This paper presents a comprehensive survey of recent ML applications in agriculture for sustainability and efficiency. Existing…

Machine Learning · Computer Science 2025-03-19 Aashu Katharria , Kanchan Rajwar , Millie Pant , Juan D. Velásquez , Václav Snášel , Kusum Deep

Molecules and materials are the foundation for the development of modern advanced industries such as energy storage systems and semiconductor devices. However, traditional trial-and-error methods or theoretical calculations are highly…

Artificial intelligence (AI) provides many opportunities to improve private and public life. Discovering patterns and structures in large troves of data in an automated manner is a core component of data science, and currently drives…

Machine Learning · Computer Science 2020-09-25 Vaishak Belle , Ioannis Papantonis

This study presents a broad perspective of hybrid process modeling and optimization combining the scientific knowledge and data analytics in bioprocessing and chemical engineering with a science-guided machine learning (SGML) approach. We…

Machine Learning · Computer Science 2022-01-26 Niket Sharma , Y. A. Liu