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We propose an approach to materials prediction that uses a machine-learning interatomic potential to approximate quantum-mechanical energies and an active learning algorithm for the automatic selection of an optimal training dataset. Our…

Materials Science · Physics 2018-06-28 Konstantin Gubaev , Evgeny V. Podryabinkin , Gus L. W. Hart , Alexander V. Shapeev

Compared to physics-based computational manufacturing, data-driven models such as machine learning (ML) are alternative approaches to achieve smart manufacturing. However, the data-driven ML's "black box" nature has presented a challenge to…

Machine Learning · Computer Science 2024-07-16 Rahul Sharma , Maziar Raissi , Y. B. Guo

Rapid advances of hardware-based technologies during the past decades have opened up new possibilities for Life scientists to gather multimodal data in various application domains (e.g., Omics, Bioimaging, Medical Imaging, and…

Machine Learning · Computer Science 2018-01-09 Mufti Mahmud , M. Shamim Kaiser , Amir Hussain , Stefano Vassanelli

Traditional robotic mechanisms contain a series of rigid links connected by rotational joints that provide powered motion, all of which is controlled by a central processor. By contrast, analogous mechanisms found in nature, such as octopus…

Computational Engineering, Finance, and Science · Computer Science 2023-11-06 Anurag Bhattacharyya , Jin-Young Kim , Lee R. Alacoque , Kai A. James

Designing functional materials requires a deep search through multidimensional spaces for system parameters that yield desirable material properties. For cases where conventional parameter sweeps or trial-and-error sampling are impractical,…

Materials Science · Physics 2022-03-22 Sanket Kadulkar , Zachary M. Sherman , Venkat Ganesan , Thomas M. Truskett

Recent Machine Learning (ML) approaches have shown increased performance on benchmarks but at the cost of escalating computational demands. Hardware, algorithmic and carbon optimizations have been proposed to curb energy consumption and…

Machine Learning · Computer Science 2025-10-13 Clément Morand , Anne-Laure Ligozat , Aurélie Névéol

Advancements in scientific instrument sensors and connected devices provide unprecedented insight into ongoing experiments and present new opportunities for control, optimization, and steering. However, the diversity of sensors and…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-05-04 Jakob R. Elias , Ryan Chard , Maksim Levental , Zhengchun Liu , Ian Foster , Santanu Chaudhuri

The collaboration and interaction of multiple robots have become integral aspects of smart manufacturing. Effective planning and management play a crucial role in achieving energy savings and minimising overall costs. This paper addresses…

Robotics · Computer Science 2025-06-16 Ziren Xiao , Ruxin Xiao , Chang Liu , Xinheng Wang

Traditional drug discovery programs are being transformed by the advent of machine learning methods. Among these, Generative AI methods (GM) have gained attention due to their ability to design new molecules and enhance specific properties…

This paper provides a review of an emerging field in the food processing sector, referring to efficient and safe food supply chains, from farm to fork, as enabled by Artificial Intelligence (AI). Recent advances in machine and deep learning…

Machine Learning · Computer Science 2021-05-04 Ilianna Kollia , Jack Stevenson , Stefanos Kollias

As microstructure property models improve, additional information from crystallographic degrees of freedom and grain boundary networks (GBNs) can be included in microstructure design problems. However, the high dimensional nature of…

Materials Science · Physics 2024-12-23 Christopher W. Adair , Oliver K. Johnson

The sustainable production of many bulk chemicals relies on heterogeneous catalysis. The rational design or improvement of the required catalysts critically depends on insights into the underlying mechanisms at the atomic scale. In recent…

Chemical Physics · Physics 2024-11-04 Amir Omranpour , Jan Elsner , K. Nikolas Lausch , Jörg Behler

High-quality mesh generation is the foundation of accurate finite element analysis. Due to the vast interior vertices search space and complex initial boundaries, mesh generation for complicated domains requires substantial manual…

Numerical Analysis · Mathematics 2023-05-02 Hua Tong , Kuanren Qian , Eni Halilaj , Yongjie Jessica Zhang

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

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

Remanufacturing is fundamentally more challenging than traditional manufacturing due to the significant uncertainty, variability, and incompleteness inherent in end-of-life (EoL) products. At the same time, it has become increasingly…

Systems and Control · Electrical Eng. & Systems 2026-04-06 Sibo Tian , Xiao Liang , Sara Behdad , Minghui Zheng

The potential of artificial upwelling (AU) as a means of lifting nutrient-rich bottom water to the surface, stimulating seaweed growth, and consequently enhancing ocean carbon sequestration, has been gaining increasing attention in recent…

Machine Learning · Computer Science 2024-05-01 Yiyuan Zhang , Wei Fan

Smart manufacturing can significantly improve efficiency and reduce energy consumption, yet the energy demands of AI models may offset these gains. This study utilizes in-situ sensing-based prediction of geometric quality in smart machining…

Machine Learning · Computer Science 2025-12-04 Danny Hoang , Anandkumar Patel , Ruimen Chen , Rajiv Malhotra , Farhad Imani

The relentless advancement of artificial intelligence (AI) and machine learning (ML) applications necessitates the development of specialized hardware accelerators capable of handling the increasing complexity and computational demands.…

Hardware Architecture · Computer Science 2024-03-20 Hongwu Peng , Caiwen Ding , Tong Geng , Sutanay Choudhury , Kevin Barker , Ang Li

Artificial intelligence (AI) is reshaping education, scientific training, and materials discovery. In materials science, AI models increasingly support property prediction, experiment prioritization, and hypothesis generation; however, the…

Physics Education · Physics 2026-05-12 Dongming Mei , Katherine Moore , Ben Sayler