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Machine learning (ML) has become a commodity in our every-day lives. We routinely ask ML empowered smartphones to suggest lovely food places or to guide us through a strange place. ML methods have also become standard tools in many fields…

Machine Learning · Computer Science 2022-02-01 Alexander Jung

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

Machine learning (ML) accelerates the exploration of material properties and their links to the structure of the underlying molecules. In previous work [J. Shi, M. J. Quevillon, P. H. A. Valen\c{c}a, and J. K. Whitmer, \textit{ACS Appl.…

Soft Condensed Matter · Physics 2023-01-06 Jiale Shi , Fahed Albreiki , Yamil J. Colón , Samanvaya Srivastava , Jonathan K. Whitmer

Machine learning is becoming a new paradigm for scientific research in various research fields due to its exciting and powerful capability of modeling tools used for big-data processing task. In this mini-review, we first briefly introduce…

Nuclear Theory · Physics 2023-01-18 Wanbing He , Qingfeng Li , Yugang Ma , Zhongming Niu , Junchen Pei , Yingxun Zhang

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

In recent years, Large Language Models (LLMs) have achieved significant success in natural language processing (NLP) and various interdisciplinary areas. However, applying LLMs to chemistry is a complex task that requires specialized domain…

Machine Learning · Computer Science 2024-02-05 Chang Liao , Yemin Yu , Yu Mei , Ying Wei

Machine learning (ML)-guided directed evolution is a new paradigm for biological design that enables optimization of complex functions. ML methods use data to predict how sequence maps to function without requiring a detailed model of the…

Biomolecules · Quantitative Biology 2019-04-23 Kevin K. Yang , Zachary Wu , Frances H. Arnold

Artificial intelligence (AI) techniques are widely applied in the life sciences. However, applying innovative AI techniques to understand and deconvolute biological complexity is hindered by the learning curve for life science scientists to…

Artificial Intelligence · Computer Science 2024-03-28 Nisha Pillai , Athish Ram Das , Moses Ayoola , Ganga Gireesan , Bindu Nanduri , Mahalingam Ramkumar

Laser machining is a highly flexible non-contact manufacturing technique that has been employed widely across academia and industry. Due to nonlinear interactions between light and matter, simulation methods are extremely crucial, as they…

Computational Engineering, Finance, and Science · Computer Science 2023-01-04 Razyeh Behbahani , Hamidreza Yazdani Sarvestani , Erfan Fatehi , Elham Kiyani , Behnam Ashrafi , Mikko Karttunen , Meysam Rahmat

Machine learning (ML) provides access to fast and accurate quantum chemistry (QC) calculations for various properties of interest such as excitation energies. It is often the case that high accuracy in prediction using an ML model, demands…

Chemical Physics · Physics 2024-03-13 Vivin Vinod , Ulrich Kleinekathöfer , Peter Zaspel

Large-scale atomistic computer simulations of materials rely on interatomic potentials providing computationally efficient predictions of energy and Newtonian forces. Traditional potentials have served in this capacity for over three…

Materials Science · Physics 2021-06-04 Y. Mishin

In the emerging era of big data, larger available clinical datasets and computational advances have sparked a massive interest in machine learning-based approaches. The number of manuscripts related to machine learning or artificial…

Machine Learning · Statistics 2020-06-29 Julius M. Kernbach , Victor E. Staartjes

Applied machine learning (ML) has rapidly spread throughout the physical sciences; in fact, ML-based data analysis and experimental decision-making has become commonplace. We suggest a shift in the conversation from proving that ML can be…

Materials Science · Physics 2021-12-21 Naohiro Fujinuma , Brian L. DeCost , Jason Hattrick-Simpers , Samuel E. Lofland

This article provides a curated review of selected papers published in prominent economics journals that use machine learning (ML) tools for research and policy analysis. The review focuses on three key questions: (1) when ML is used in…

General Economics · Economics 2023-04-21 Ajit Desai

As ultracold atom experiments become highly controlled and scalable quantum simulators, they require sophisticated control over high-dimensional parameter spaces and generate increasingly complex measurement data that need to be analyzed…

Quantum Gases · Physics 2025-09-11 Henning Schlömer , Annabelle Bohrdt

An evident challenge ahead for the integrated circuit (IC) industry in the nanometer regime is the investigation and development of methods that can reduce the design complexity ensuing from growing process variations and curtail the…

Machine Learning · Computer Science 2023-02-16 Deepthi Amuru , Harsha V. Vudumula , Pavan K. Cherupally , Sushanth R. Gurram , Amir Ahmad , Andleeb Zahra , Zia Abbas

Predicting mechanical properties in metal additive manufacturing (MAM) is essential for ensuring the performance and reliability of printed parts, as well as their suitability for specific applications. However, conducting experiments to…

Machine Learning · Computer Science 2024-11-01 Parand Akbari , Masoud Zamani , Amir Mostafaei

Machine learning (ML) has become a key tool in astronomy, driving advancements in the analysis and interpretation of complex datasets from observations. This article reviews the application of ML techniques in the identification and…

Solar and Stellar Astrophysics · Physics 2025-03-04 Guangping Li , Zujia Lu , Junzhi Wang , Zhao Wang

In recent years, conventional chemistry techniques have faced significant challenges due to their inherent limitations, struggling to cope with the increasing complexity and volume of data generated in contemporary research endeavors.…

Machine Learning (ML) techniques are encountered nowadays across disciplines, from social sciences, through natural sciences to engineering. The broad application of ML and the accelerated pace of its evolution lead to an increasing need…

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