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Active learning - the field of machine learning (ML) dedicated to optimal experiment design, has played a part in science as far back as the 18th century when Laplace used it to guide his discovery of celestial mechanics [1]. In this work…

Accelerated discovery in materials science demands autonomous systems capable of dynamically formulating and solving design problems. In this work, we introduce a novel framework that leverages Bayesian optimization over a problem…

Systems and Control · Electrical Eng. & Systems 2025-02-11 Danial Khatamsaz , Joseph Wagner , Brent Vela , Raymundo Arroyave , Douglas L. Allaire

Nuclear materials are often demanded to function for extended time in extreme environments, including high radiation fluxes and transmutation, high temperature and temperature gradients, stresses, and corrosive coolants. They also have a…

Materials Science · Physics 2022-11-18 Dane Morgan , Ghanshyam Pilania , Adrien Couet , Blas P. Uberuaga , Cheng Sun , Ju Li

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

Materials with bespoke properties have long been identified by computational searches, and their experimental realisation is now coming within reach through autonomous laboratories. Scattering experiments are central to verifying the atomic…

Autonomous vehicles have a great potential in the application of both civil and military fields, and have become the focus of research with the rapid development of science and economy. This article proposes a brief review on learning-based…

Robotics · Computer Science 2021-07-05 Qi Liu , Xueyuan Li , Shihua Yuan , Zirui Li

Machine learning has been increasingly applied in climate modeling on system emulation acceleration, data-driven parameter inference, forecasting, and knowledge discovery, addressing challenges such as physical consistency, multi-scale…

Recently, computational modeling has shifted towards the use of deep learning, and other data-driven modeling frameworks. Although this shift in modeling holds promise in many applications like design optimization and real-time control by…

Fluid Dynamics · Physics 2021-10-11 Suraj Pawar , Omer San , Prakash Vedula , Adil Rasheed , Trond Kvamsdal

This work describes the selection approach and analysis of existing AutoML frameworks regarding their capability of a) incorporating Quantum Machine Learning (QML) algorithms into this automated solving approach of the AutoML framing and b)…

Machine Learning · Computer Science 2023-10-09 Dennis Klau , Marc Zöller , Christian Tutschku

This review explores the potential of foundation models to advance laboratory automation in the materials and chemical sciences. It emphasizes the dual roles of these models: cognitive functions for experimental planning and data analysis,…

The "Workshop on Machine learning in heterogeneous porous materials" brought together international scientific communities of applied mathematics, porous media, and material sciences with experts in the areas of heterogeneous materials,…

We use machine learning (ML) to infer stress and plastic flow rules using data from repre- sentative polycrystalline simulations. In particular, we use so-called deep (multilayer) neural networks (NN) to represent the two response…

Computational Physics · Physics 2018-09-05 Reese E. Jones , Jeremy A. Templeton , Clay M. Sanders , Jakob T. Ostien

Machine learning approaches, enabled by the emergence of comprehensive databases of materials properties, are becoming a fruitful direction for materials analysis. As a result, a plethora of models have been constructed and trained on…

A complex pervasive system is typically composed of many cooperating \emph{nodes}, running on machines with different capabilities, and pervasively distributed across the environment. These systems pose several new challenges such as the…

Software Engineering · Computer Science 2015-03-17 Nicolo' Maria Calcavecchia , Elisabetta Di Nitto

Large language models (LLMs) are rapidly transforming materials science. This review examines recent LLM applications across the materials discovery pipeline, focusing on three key areas: mining scientific literature , predictive modelling,…

Computation and Language · Computer Science 2025-11-17 Fengxu Yang , Weitong Chen , Jack D. Evans

The rapid advancement of machine learning and artificial intelligence (AI)-driven techniques is revolutionizing materials discovery, property prediction, and material design by minimizing human intervention and accelerating scientific…

Materials Science · Physics 2026-01-06 Dilshod Nematov , Mirabbos Hojamberdiev

Since the surge of data in materials science research and the advancement in machine learning methods, an increasing number of researchers are introducing machine learning techniques into the next generation of materials discovery, ranging…

Soft Condensed Matter · Physics 2024-08-12 Maya M. Martirossyan , Hongjin Du , Julia Dshemuchadse , Chrisy Xiyu Du

There is a growing consensus that solutions to complex science and engineering problems require novel methodologies that are able to integrate traditional physics-based modeling approaches with state-of-the-art machine learning (ML)…

Computational Physics · Physics 2022-03-15 Jared Willard , Xiaowei Jia , Shaoming Xu , Michael Steinbach , Vipin Kumar

In multiscale modelling, multiple models are used simultaneously to describe scale-dependent phenomena in a system of interest. Here we introduce a machine learning (ML)-based multiscale modelling framework for modelling hierarchical…

Geophysics · Physics 2022-04-13 Mark Ashworth , Ahmed Elsheikh , Florian Doster

This paper proposes a specialized autonomous driving system that takes into account the unique constraints and characteristics of automotive systems, aiming for innovative advancements in autonomous driving technology. The proposed system…

Robotics · Computer Science 2023-12-18 Eunbin Seo , Gwanjun Shin , Eunho Lee
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