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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…

With the volume and availability of astronomical data growing rapidly, astronomers will soon rely on the use of machine learning algorithms in their daily work. This proceeding aims to give an overview of what machine learning is and delve…

Instrumentation and Methods for Astrophysics · Physics 2025-08-06 Sara A. Webb , Simon R. Goode

While machine learning (ML) systems have produced great advances in several domains, their use in support of complex cooperative work remains a research challenge. A particularly challenging setting, and one that may benefit from ML support…

Artificial Intelligence · Computer Science 2019-11-05 Bridget Kane , Jing Su , Saturnino Luz

In the last couple of years we have witnessed an enormous increase of machine learning (ML) applications. More and more program functions are no longer written in code, but learnt from a huge amount of data samples using an ML algorithm.…

Software Engineering · Computer Science 2022-09-07 Peter Kriens , Tim Verbelen

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

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

Machine learning (ML) techniques increase the effectiveness of software engineering (SE) lifecycle activities. We systematically collected, quality-assessed, summarized, and categorized 83 reviews in ML for SE published between 2009-2022,…

Software Engineering · Computer Science 2023-12-05 Zoe Kotti , Rafaila Galanopoulou , Diomidis Spinellis

In this work, we identify elements of effective machine learning datasets in astronomy and present suggestions for their design and creation. Machine learning has become an increasingly important tool for analyzing and understanding the…

Instrumentation and Methods for Astrophysics · Physics 2022-11-30 Bernie Boscoe , Tuan Do , Evan Jones , Yunqi Li , Kevin Alfaro , Christy Ma

With the rise of electronic data, particularly Earth observation data, data-based geospatial modelling using machine learning (ML) has gained popularity in environmental research. Accurate geospatial predictions are vital for domain…

Machine Learning · Computer Science 2023-11-21 Diana Koldasbayeva , Polina Tregubova , Mikhail Gasanov , Alexey Zaytsev , Anna Petrovskaia , Evgeny Burnaev

The utility of machine learning in understanding the motor system is promising a revolution in how to collect, measure, and analyze data. The field of movement science already elegantly incorporates theory and engineering principles to…

Quantitative Methods · Quantitative Biology 2021-09-16 Sébastien B. Hausmann , Alessandro Marin Vargas , Alexander Mathis , Mackenzie W. Mathis

Machine learning (ML) methods are being used in almost every conceivable area of electronic structure theory and molecular simulation. In particular, ML has become firmly established in the construction of high-dimensional interatomic…

Chemical Physics · Physics 2021-06-22 Julia Westermayr , Michael Gastegger , Kristof T. Schütt , Reinhard J. Maurer

Machine learning (ML) has emerged as a pervasive tool in science, engineering, and beyond. Its success has also led to several synergies with molecular dynamics (MD) simulations, which we use to identify and characterize the major…

Biomolecules · Quantitative Biology 2022-05-09 Christopher Kolloff , Simon Olsson

Nowadays, an important topic that is considered a lot is how to integrate Machine Learning(ML) to cloud resources management. In this study, our goal is to explore the most important cloud resources management issues that have been combined…

Machine Learning · Computer Science 2021-01-29 V. N. Tsakalidou , P. Mitsou , G. A. Papakostas

Machine learning (ML) empowers biomedical systems with the capability to optimize their performance through modeling of the available data extremely well, without using strong assumptions about the modeled system. Especially in nano-scale…

Learning from data has led to substantial advances in a multitude of disciplines, including text and multimedia search, speech recognition, and autonomous-vehicle navigation. Can machine learning enable similar leaps in the natural and…

Machine Learning · Computer Science 2022-11-22 Alice E. A. Allen , Alexandre Tkatchenko

Recent years have witnessed the fast development of machine learning potentials (MLPs) and their widespread applications in chemistry, physics, and material science. By fitting discrete ab initio data faithfully to continuous and…

Chemical Physics · Physics 2025-05-13 Junfan Xia , Yaolong Zhang , Bin Jiang

We develop multiple Deep Learning (DL) models that advance the state-of-the-art predictions of the global auroral particle precipitation. We use observations from low Earth orbiting spacecraft of the electron energy flux to develop a model…

Machine Learning · Computer Science 2021-12-01 Jack Ziegler , Ryan M. Mcgranaghan

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…

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 techniques are used to predict theoretical constraints such as unitarity and boundedness from below in extensions of the Standard Model. This approach has proven effective for models incorporating additional SU(2) scalar…

High Energy Physics - Phenomenology · Physics 2025-12-19 Darius Jurčiukonis