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We introduce a machine-learning (ML) framework for high-throughput benchmarking of diverse representations of chemical systems against datasets of materials and molecules. The guiding principle underlying the benchmarking approach is to…

Machine Learning · Computer Science 2021-12-07 Carl Poelking , Felix A. Faber , Bingqing Cheng

Machine Learning (ML) is one of the most exciting and dynamic areas of modern research and application. The purpose of this review is to provide an introduction to the core concepts and tools of machine learning in a manner easily…

Recent technological advances have greatly improved the performance and features of embedded systems. With the number of just mobile devices now reaching nearly equal to the population of earth, embedded systems have truly become…

Hardware Architecture · Computer Science 2014-01-07 Sparsh Mittal

Machine learning (ML) has become an integral component of high energy physics data analyses and is likely to continue to grow in prevalence. Physicists are incorporating ML into many aspects of analysis, from using boosted decision trees to…

High Energy Physics - Experiment · Physics 2024-01-04 Elliott Kauffman , Alexander Held , Oksana Shadura

Machine-learning (ML) techniques have revolutionized a host of research fields of chemical and materials science with accelerated, high-efficiency discoveries in design, synthesis, manufacturing, characterization and application of novel…

Materials Science · Physics 2021-08-31 Zhexu Xi

Geosystems are geological formations altered by humans activities such as fossil energy exploration, waste disposal, geologic carbon sequestration, and renewable energy generation. Geosystems also represent a critical link in the global…

Geophysics · Physics 2021-04-14 Alexander Y. Sun , Hongkyu Yoon , Chung-Yan Shih , Zhi Zhong

Machine learning (ML) requires using energy to carry out computations during the model training process. The generation of this energy comes with an environmental cost in terms of greenhouse gas emissions, depending on quantity used and the…

Machine Learning · Computer Science 2023-02-17 Alexandra Sasha Luccioni , Alex Hernandez-Garcia

As Machine Learning (ML) gains adoption across industries and new use cases, practitioners increasingly realize the challenges around effectively developing and iterating on ML systems: reproducibility, debugging, scalability, and…

Machine Learning · Computer Science 2023-03-22 Jacopo Tagliabue , Hugo Bowne-Anderson , Ville Tuulos , Savin Goyal , Romain Cledat , David Berg

Building effective machine learning (ML) workflows to address complex tasks is a primary focus of the Automatic ML (AutoML) community and a critical step toward achieving artificial general intelligence (AGI). Recently, the integration of…

Machine Learning · Computer Science 2024-12-30 Yang Gu , Hengyu You , Jian Cao , Muran Yu , Haoran Fan , Shiyou Qian

New discoveries in chemistry and materials science, with increasingly expanding volume of requisite knowledge and experimental workload, provide unique opportunities for machine learning (ML) to take critical roles in accelerating research…

The advent of larger machine learning (ML) models have improved state-of-the-art (SOTA) performance in various modeling tasks, ranging from computer vision to natural language. As ML models continue increasing in size, so does their…

Machine Learning · Computer Science 2021-03-31 Omar Shaikh , Jon Saad-Falcon , Austin P Wright , Nilaksh Das , Scott Freitas , Omar Isaac Asensio , Duen Horng Chau

As a key technique for enabling artificial intelligence, machine learning (ML) is capable of solving complex problems without explicit programming. Motivated by its successful applications to many practical tasks like image recognition,…

Networking and Internet Architecture · Computer Science 2019-03-04 Yaohua Sun , Mugen Peng , Yangcheng Zhou , Yuzhe Huang , Shiwen Mao

Scalable and cost-effective solutions to renewable energy storage are essential to addressing the world's rising energy needs while reducing climate change. As we increase our reliance on renewable energy sources such as wind and solar,…

As modern scientific instruments generate vast amounts of data and the volume of information in the scientific literature continues to grow, machine learning (ML) has become an essential tool for organising, analysing, and interpreting…

Computational screening has become a powerful complement to experimental efforts in the discovery of high-performance photovoltaic (PV) materials. Most workflows rely on density functional theory (DFT) to estimate electronic and optical…

Materials Science · Physics 2025-07-18 Matthew Walker , Keith T. Butler

Context: Machine Learning (ML) has become widely adopted as a component in many modern software applications. Due to the large volumes of data available, organizations want to increasingly leverage their data to extract meaningful insights…

Software Engineering · Computer Science 2023-11-02 Hira Naveed , Chetan Arora , Hourieh Khalajzadeh , John Grundy , Omar Haggag

This thesis demonstrate the efficacy of designing and developing machine learning (ML) algorithms to selected use cases that encompass many of the outstanding challenges in the field of experimental high energy physics. Although simple…

High Energy Physics - Experiment · Physics 2019-03-14 Michela Paganini

Machine Learning (ML) has already fundamentally changed several businesses. More recently, it has also been profoundly impacting the computational science and engineering domains, like geoscience, climate science, and health science. In…

In modern business processes, the amount of data collected has increased substantially in recent years. Because this data can potentially yield valuable insights, automated knowledge extraction based on process mining has been proposed,…

Machine Learning · Computer Science 2022-12-02 Riza Velioglu , Jan Philip Göpfert , André Artelt , Barbara Hammer

Deep decarbonization of the energy sector will require massive penetration of stochastic renewable energy resources and an enormous amount of grid asset coordination; this represents a challenging paradigm for the power system operators who…

Systems and Control · Electrical Eng. & Systems 2022-07-15 Jochen Stiasny , Samuel Chevalier , Rahul Nellikkath , Brynjar Sævarsson , Spyros Chatzivasileiadis