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We present a perspective on molecular machine learning (ML) in the field of chemical process engineering. Recently, molecular ML has demonstrated great potential in (i) providing highly accurate predictions for properties of pure components…

Chemical Physics · Physics 2025-09-01 Jan G. Rittig , Manuel Dahmen , Martin Grohe , Philippe Schwaller , Alexander Mitsos

The reliability of machine learning (ML) software systems is heavily influenced by changes in data over time. For that reason, ML systems require regular maintenance, typically based on model retraining. However, retraining requires…

Machine Learning · Computer Science 2025-06-18 Lorena Poenaru-Olaru , June Sallou , Luis Cruz , Jan Rellermeyer , Arie van Deursen

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

There is a growing consensus that solutions to complex science and engineering problems require novel methodologies that are able to integrate traditional physics-based modeling approaches with state-of-the-art machine learning (ML)…

Computational Physics · Physics 2022-03-15 Jared Willard , Xiaowei Jia , Shaoming Xu , Michael Steinbach , Vipin Kumar

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

In this community review report, we discuss applications and techniques for fast machine learning (ML) in science -- the concept of integrating power ML methods into the real-time experimental data processing loop to accelerate scientific…

Machine Learning · Computer Science 2023-02-07 Allison McCarn Deiana , Nhan Tran , Joshua Agar , Michaela Blott , Giuseppe Di Guglielmo , Javier Duarte , Philip Harris , Scott Hauck , Mia Liu , Mark S. Neubauer , Jennifer Ngadiuba , Seda Ogrenci-Memik , Maurizio Pierini , Thea Aarrestad , Steffen Bahr , Jurgen Becker , Anne-Sophie Berthold , Richard J. Bonventre , Tomas E. Muller Bravo , Markus Diefenthaler , Zhen Dong , Nick Fritzsche , Amir Gholami , Ekaterina Govorkova , Kyle J Hazelwood , Christian Herwig , Babar Khan , Sehoon Kim , Thomas Klijnsma , Yaling Liu , Kin Ho Lo , Tri Nguyen , Gianantonio Pezzullo , Seyedramin Rasoulinezhad , Ryan A. Rivera , Kate Scholberg , Justin Selig , Sougata Sen , Dmitri Strukov , William Tang , Savannah Thais , Kai Lukas Unger , Ricardo Vilalta , Belinavon Krosigk , Thomas K. Warburton , Maria Acosta Flechas , Anthony Aportela , Thomas Calvet , Leonardo Cristella , Daniel Diaz , Caterina Doglioni , Maria Domenica Galati , Elham E Khoda , Farah Fahim , Davide Giri , Benjamin Hawks , Duc Hoang , Burt Holzman , Shih-Chieh Hsu , Sergo Jindariani , Iris Johnson , Raghav Kansal , Ryan Kastner , Erik Katsavounidis , Jeffrey Krupa , Pan Li , Sandeep Madireddy , Ethan Marx , Patrick McCormack , Andres Meza , Jovan Mitrevski , Mohammed Attia Mohammed , Farouk Mokhtar , Eric Moreno , Srishti Nagu , Rohin Narayan , Noah Palladino , Zhiqiang Que , Sang Eon Park , Subramanian Ramamoorthy , Dylan Rankin , Simon Rothman , Ashish Sharma , Sioni Summers , Pietro Vischia , Jean-Roch Vlimant , Olivia Weng

Recent achievements in machine learning (Ml) have had a significant impact on various fields, including climate science. Climate modeling is very important and plays a crucial role in shaping the decisions of governments and individuals in…

Image and Video Processing · Electrical Eng. & Systems 2023-11-17 Ahmed Elsayed , Shrouk Wally , Islam Alkabbany , Asem Ali , Aly Farag

Transfer learning (TL), the next frontier in machine learning (ML), has gained much popularity in recent years, due to the various challenges faced in ML, like the requirement of vast amounts of training data, expensive and time-consuming…

Machine Learning · Computer Science 2022-03-11 Chandana Priya Nivarthi

In this big data era, the use of large dataset in conjunction with machine learning (ML) has been increasingly popular in both industry and academia. In recent times, the field of materials science is also undergoing a big data revolution,…

Materials Science · Physics 2023-09-27 Sue Sin Chong , Yi Sheng Ng , Hui-Qiong Wang , Jin-Cheng Zheng

Machine learning (ML) provides a broad spectrum of tools and architectures that enable the transformation of data from simulations and experiments into useful and explainable science, thereby augmenting domain knowledge. Furthermore,…

Plasma Physics · Physics 2024-09-05 Farbod Faraji , Maryam Reza

Machine learning encompasses a broad range of algorithms and modeling tools used for a vast array of data processing tasks, which has entered most scientific disciplines in recent years. We review in a selective way the recent research on…

An exponential growth in computing power, which has brought more sophisticated and higher resolution simulations of the climate system, and an exponential increase in observations since the first weather satellite was put in orbit, are…

Atmospheric and Oceanic Physics · Physics 2024-08-20 Annalisa Bracco , Julien Brajard , Henk A. Dijkstra , Pedram Hassanzadeh , Christian Lessig , Claire Monteleoni

The electric grid is a key enabling infrastructure for the ambitious transition towards carbon neutrality as we grapple with climate change. With deepening penetration of renewable energy resources and electrified transportation, the…

Machine Learning · Computer Science 2022-05-24 Xiangtian Zheng , Nan Xu , Loc Trinh , Dongqi Wu , Tong Huang , S. Sivaranjani , Yan Liu , Le Xie

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

Machine learning has been increasingly applied in climate modeling on system emulation acceleration, data-driven parameter inference, forecasting, and knowledge discovery, addressing challenges such as physical consistency, multi-scale…

In this survey, we discuss the challenges of executing scientific workflows as well as existing Machine Learning (ML) techniques to alleviate those challenges. We provide the context and motivation for applying ML to each step of the…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-10-28 Azita Nouri , Philip E. Davis , Pradeep Subedi , Manish Parashar

The sustainability of Machine Learning-Enabled Systems (MLS), particularly with regard to energy efficiency, is an important challenge in their development and deployment. Self-adaptation techniques, recognized for their potential in energy…

Software Engineering · Computer Science 2024-04-18 Meghana Tedla , Shubham Kulkarni , Karthik Vaidhyanathan

Machine learning (ML) is a rapidly growing area of research in the field of particle physics, with a vast array of applications at the CERN LHC. ML has changed the way particle physicists conduct searches and measurements as a versatile…

High Energy Physics - Experiment · Physics 2024-10-01 Javier M. Duarte

Background: As Machine Learning (ML) advances rapidly in many fields, it is being adopted by academics and businesses alike. However, ML has a number of different challenges in terms of maintenance not found in traditional software…

Artificial Intelligence · Computer Science 2024-08-20 Karthik Shivashankar , Antonio Martini

Artificial intelligence (AI) is currently spearheaded by machine learning (ML) methods such as deep learning which have accelerated progress on many tasks thought to be out of reach of AI. These recent ML methods are often compute hungry,…

Machine Learning · Computer Science 2025-03-25 Dustin Wright , Christian Igel , Gabrielle Samuel , Raghavendra Selvan