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Machine learning is employed at an increasing rate in the research field of quantum chemistry. While the majority of approaches target the investigation of chemical systems in their electronic ground state, the inclusion of light into the…

Chemical Physics · Physics 2021-03-16 Julia Westermayr , Philipp Marquetand

Background: The masses of about 2500 nuclei have been measured experimentally, however more than 7000 isotopes are predicted to exist in the nuclear landscape from H (Z=1) to Og (Z=118) based on various theoretical calculations. Exploring…

Nuclear Theory · Physics 2023-11-17 Zepeng Gao , Yongjia Wang , Hongliang Lü , Qingfeng Li , Caiwan Shen , Ling Liu

Machine learning (ML) has become a pervasive tool across computing systems. An emerging application that stress-tests the challenges of ML system design is tiny robot learning, the deployment of ML on resource-constrained low-cost…

Fuelled by increasing computer power and algorithmic advances, machine learning techniques have become powerful tools for finding patterns in data. Since quantum systems produce counter-intuitive patterns believed not to be efficiently…

Quantum Physics · Physics 2018-05-14 Jacob Biamonte , Peter Wittek , Nicola Pancotti , Patrick Rebentrost , Nathan Wiebe , Seth Lloyd

Machine learning is poised as a very powerful tool that can drastically improve our ability to carry out scientific research. However, many issues need to be addressed before this becomes a reality. This article focuses on one particular…

Computational Physics · Physics 2020-06-05 Weinan E , Jiequn Han , Linfeng Zhang

With dramatic breakthroughs in recent years, machine learning is showing great potential to upgrade the toolbox for power system optimization. Understanding the strength and limitation of machine learning approaches is crucial to decide…

Systems and Control · Electrical Eng. & Systems 2022-02-03 Guangchun Ruan , Haiwang Zhong , Guanglun Zhang , Yiliu He , Xuan Wang , Tianjiao Pu

Computational chemistry has come a long way over the course of several decades, enabling subatomic level calculations particularly with the development of Density Functional Theory (DFT). Recently, machine-learned potentials (MLP) have…

This paper summarizes some challenges encountered and best practices established in several years of teaching Machine Learning for the Physical Sciences at the undergraduate and graduate level. I discuss motivations for teaching ML to…

Physics Education · Physics 2021-08-20 Viviana Acquaviva

Machine learning plays a role in many aspects of modern IR systems, and deep learning is applied in all of them. The fast pace of modern-day research has given rise to many different approaches for many different IR problems. The amount of…

Information Retrieval · Computer Science 2017-07-14 Tom Kenter , Alexey Borisov , Christophe Van Gysel , Mostafa Dehghani , Maarten de Rijke , Bhaskar Mitra

This review paper examines state-of-the-art algorithms and techniques in quantum machine learning with potential applications in finance. We discuss QML techniques in supervised learning tasks, such as Quantum Variational Classifiers,…

In this current technological world, the application of machine learning is becoming ubiquitous. Incorporating machine learning algorithms on extremely low-power and inexpensive embedded devices at the edge level is now possible due to the…

Machine Learning · Computer Science 2022-11-09 Harsha Yelchuri , Rashmi R

Machine-learning models in chemistry - when based on descriptors of atoms embedded within molecules - face essential challenges in transferring the quality of predictions of local electronic structures and their associated properties across…

Chemical Physics · Physics 2024-09-27 Frederik Ø. Kjeldal , Janus J. Eriksen

Machine learning plays a role in many aspects of modern IR systems, and deep learning is applied in all of them. The fast pace of modern-day research has given rise to many approaches to many IR problems. The amount of information available…

Information Retrieval · Computer Science 2018-01-09 Tom Kenter , Alexey Borisov , Christophe Van Gysel , Mostafa Dehghani , Maarten de Rijke , Bhaskar Mitra

Machine learning (ML) based interatomic potentials are emerging tools for materials simulations but require a trade-off between accuracy and speed. Here we show how one can use one ML potential model to train another: we use an existing,…

Materials Science · Physics 2022-09-20 Joe D. Morrow , Volker L. Deringer

While the uptake of data-driven approaches for materials science and chemistry is at an exciting, early stage, to realise the true potential of machine learning models for successful scientific discovery, they must have qualities beyond…

Materials Science · Physics 2022-06-28 Felipe Oviedo , Juan Lavista Ferres , Tonio Buonassisi , Keith Butler

The demand for clean energy is ever increasing, with new nuclear technologies presenting a complementary solution to renewable energies. However, designing and operating these systems is exceptionally difficult, given the complexity of the…

The machine-learning techniques have shown their capability for studying phase transitions in condensed matter physics. Here, we employ the machine-learning techniques to study the nuclear liquid-gas phase transition. We adopt an…

Nuclear Theory · Physics 2020-11-17 Rui Wang , Yu-Gang Ma , R. Wada , Lie-Wen Chen , Wan-Bing He , Huan-Ling Liu , Kai-Jia Sun

Machine learning (ML) has been leveraged to tackle a diverse range of tasks in almost all branches of nuclear engineering. Many of the successes in ML applications can be attributed to the recent performance breakthroughs in deep learning,…

Systems and Control · Electrical Eng. & Systems 2025-03-25 Xu Wu , Lesego E. Moloko , Pavel M. Bokov , Gregory K. Delipei , Joshua Kaizer , Kostadin N. Ivanov

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 last years have witnessed an enormous interest in the use of artificial intelligence methods, especially machine learning algorithms. This also has a major impact on aerospace engineering in general, and the design and operation of…

Machine Learning · Computer Science 2021-02-16 Günther Waxenegger-Wilfing , Kai Dresia , Jan Deeken , Michael Oschwald
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