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The key to success in machine learning (ML) is the use of effective data representations. Traditionally, data representations were hand-crafted. Recently it has been demonstrated that, given sufficient data, deep neural networks can learn…

Machine Learning · Computer Science 2018-11-09 Ivan Olier , Oghenejokpeme I. Orhobor , Joaquin Vanschoren , Ross D. King

We review our recent work in the area of autonomous materials research, highlighting the coupling of machine learning methods and models and more problem-aware modeling. We review the general Bayesian framework for closed-loop design…

Materials Science · Physics 2021-03-16 Soojung Baek , Kristofer G. Reyes

Machine learning (ML) is poised to drive innovations in clinical microbiomics, such as in disease diagnostics and prognostics. However, the successful implementation of ML in these domains necessitates the development of reproducible,…

Genomics · Quantitative Biology 2024-12-02 Natasha K. Dudek , Mariam Chakhvadze , Saba Kobakhidze , Omar Kantidze , Yuriy Gankin

Micromobility systems, which include lightweight and low-speed vehicles such as bicycles, e-bikes, and e-scooters, have become an important part of urban transportation and are used to solve problems such as traffic congestion, air…

Machine Learning · Computer Science 2025-08-25 Sen Yan , Chinmaya Kaundanya , Noel E. O'Connor , Suzanne Little , Mingming Liu

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

There has been increasing research interest in AI/ML for social impact, and correspondingly more publication venues have refined review criteria for practice-driven AI/ML research. However, these review guidelines tend to most concretely…

Machine Learning · Computer Science 2025-10-22 Bryan Wilder , Angela Zhou

Machine learning (ML) provides powerful tools for predictive modeling. ML's popularity stems from the promise of sample-level prediction with applications across a variety of fields from physics and marketing to healthcare. However, if not…

Machine learning (ML) is about computational methods that enable machines to learn concepts from experience. In handling a wide variety of experience ranging from data instances, knowledge, constraints, to rewards, adversaries, and lifelong…

Machine Learning · Computer Science 2023-01-11 Zhiting Hu , Eric P. Xing

Machine Learning (ML) and its applications have been transforming our lives but it is also creating issues related to the development of fair, accountable, transparent, and ethical Artificial Intelligence. As the ML models are not fully…

Applications · Statistics 2021-06-30 Yihuang Kang , Yi-Wen Chiu , Ming-Yen Lin , Fang-yi Su , Sheng-Tai Huang

Cloud is now the leading software and computing hardware innovator, and is changing the landscape of compute to one that is optimized for artificial intelligence and machine learning (AI/ML). Computing innovation was initially driven to…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-11-05 Vanessa Sochat , Daniel Milroy

Machine learning models are poised to make a transformative impact on chemical sciences by dramatically accelerating computational algorithms and amplifying insights available from computational chemistry methods. However, achieving this…

To retrieve and compare scientific data of simulations and experiments in materials science, data needs to be easily accessible and machine readable to qualify and quantify various materials science phenomena. The recent progress in open…

Materials Science · Physics 2025-03-25 Balduin Katzer , Steffen Klinder , Katrin Schulz

The traditional design and development of metallic alloys has taken a hill-climbing approach to date, with incremental advances. Throughout the last century, aluminium (Al) alloy design has been essentially empirical and iterative, based on…

Materials Science · Physics 2021-06-02 J. Mangos , N. Birbilis

Synthesis of advanced inorganic materials with minimum number of trials is of paramount importance towards the acceleration of inorganic materials development. The enormous complexity involved in existing multi-variable synthesis methods…

Materials Science · Physics 2020-11-02 Bijun Tang , Yuhao Lu , Jiadong Zhou , Han Wang , Prafful Golani , Manzhang Xu , Quan Xu , Cuntai Guan , Zheng Liu

Machine learning (ML) models are increasingly used in various applications, from recommendation systems in e-commerce to diagnosis prediction in healthcare. In this paper, we present a novel dynamic framework for thinking about the…

Machine Learning · Computer Science 2024-10-08 Tom Sühr , Samira Samadi , Chiara Farronato

We introduce the first application of the lean methodology to machine learning projects. Similar to lean startups and lean manufacturing, we argue that lean machine learning (LeanML) can drastically slash avoidable wastes in commercial…

Machine Learning · Computer Science 2021-08-13 Yves-Laurent Kom Samo

Machine learning techniques applied to chemical reactions has a long history. The present contribution discusses applications ranging from small molecule reaction dynamics to platforms for reaction planning. ML-based techniques can be of…

Chemical Physics · Physics 2021-01-12 M. Meuwly

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

The meteoric rise of artificial intelligence in recent years has seen machine learning methods become ubiquitous in modern science, technology, and industry. Concurrently, the emergence of programmable quantum computers, coupled with the…

Quantum Physics · Physics 2025-06-17 Muhammad Usman

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