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The field of machine learning has rapidly advanced the state of the art in many fields of science and engineering, including experimental fluid dynamics, which is one of the original big-data disciplines. This perspective will highlight…

Fluid Dynamics · Physics 2023-03-30 Ricardo Vinuesa , Steven L. Brunton , Beverley J. McKeon

Machine learning (ML) is a promising approach for predicting small molecule properties in drug discovery. Here, we provide a comprehensive overview of various ML methods introduced for this purpose in recent years. We review a wide range of…

Biomolecules · Quantitative Biology 2023-08-25 Nikolai Schapin , Maciej Majewski , Alejandro Varela , Carlos Arroniz , Gianni De Fabritiis

The combination of modern scientific computing with electronic structure theory can lead to an unprecedented amount of data amenable to intelligent data analysis for the identification of meaningful, novel, and predictive structure-property…

Machine Learning (ML) is accelerating the progress of materials prediction and classification, with particular success in CGNN designs. While classical ML methods remain accessible, advanced deep networks are still challenging to build and…

Other Condensed Matter · Physics 2025-02-04 Gavin Nop , Micah Mundy , Durga Paudyal , Jonathan Smith

RNAs play crucial and versatile roles in biological processes. Computational prediction approaches can help to understand RNA structures and their stabilizing factors, thus providing information on their functions, and facilitating the…

Biological Physics · Physics 2020-09-04 Bin Huang , Yuanyang Du , Shuai Zhang , Wenfei Li , Jun Wang , Jian Zhang

The field of fluid mechanics is rapidly advancing, driven by unprecedented volumes of data from field measurements, experiments and large-scale simulations at multiple spatiotemporal scales. Machine learning offers a wealth of techniques to…

Fluid Dynamics · Physics 2020-02-19 Steven Brunton , Bernd Noack , Petros Koumoutsakos

Over the past decade inter-atomic potentials based on machine-learning (ML) techniques have become an indispensable tool in the atomic-scale modeling of materials. Trained on energies and forces obtained from electronic-structure…

Materials Science · Physics 2022-08-15 Michele Ceriotti

Software engineering (SE) is a dynamic field that involves multiple phases all of which are necessary to develop sustainable software systems. Machine learning (ML), a branch of artificial intelligence (AI), has drawn a lot of attention in…

Software Engineering · Computer Science 2024-06-21 Nyaga Fred , I. O. Temkin

Rapid advancements in machine learning (ML) are transforming materials science by significantly speeding up material property calculations. However, the proliferation of ML approaches has made it challenging for scientists to keep up with…

Machine Learning · Computer Science 2024-07-12 Ali Ramlaoui , Théo Saulus , Basile Terver , Victor Schmidt , David Rolnick , Fragkiskos D. Malliaros , Alexandre Duval

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

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

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

This paper presents a review of the recent Machine Learning activities carried out on beam measurements performed at the CERN Large Hadron Collider. This paper has been accepted for publication in IEEE Instrumentation and Measurement…

The breakthrough in Deep Learning neural networks has transformed the use of AI and machine learning technologies for the analysis of very large experimental datasets. These datasets are typically generated by large-scale experimental…

Machine Learning · Computer Science 2021-10-26 Jeyan Thiyagalingam , Mallikarjun Shankar , Geoffrey Fox , Tony Hey

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) has been increasingly used to aid aerodynamic shape optimization (ASO), thanks to the availability of aerodynamic data and continued developments in deep learning. We review the applications of ML in ASO to date and…

Machine Learning · Computer Science 2022-12-05 Jichao Li , Xiaosong Du , Joaquim R. R. A. Martins

Advances in machine learning (ML) open the way to innovating functions in the avionic domain, such as navigation/surveillance assistance (e.g. vision-based navigation, obstacle sensing, virtual sensing), speechto-text applications,…

Artificial Intelligence · Computer Science 2021-08-02 Guillaume Vidot , Christophe Gabreau , Ileana Ober , Iulian Ober

Three recent breakthroughs due to AI in arts and science serve as motivation: An award winning digital image, protein folding, fast matrix multiplication. Many recent developments in artificial neural networks, particularly deep learning…

Machine Learning · Computer Science 2026-05-21 Loc Vu-Quoc , Alexander Humer

Machine Learning (ML) serves as a general-purpose, highly adaptable, and versatile framework for investigating complex systems across domains. However, the resulting computational resource demands, in terms of the number of parameters and…

Instrumentation and Methods for Astrophysics · Physics 2025-07-29 Mansur Ziiatdinov , Farida Farsian , Francesco Schilliró , Salvatore Distefano

Over the last several years, the use of machine learning (ML) in neuroscience has been rapidly increasing. Here, we review ML's contributions, both realized and potential, across several areas of systems neuroscience. We describe four…

Neurons and Cognition · Quantitative Biology 2018-11-27 Joshua I. Glaser , Ari S. Benjamin , Roozbeh Farhoodi , Konrad P. Kording
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