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The convergence of artificial intelligence and materials science presents a transformative opportunity, but achieving true acceleration in discovery requires moving beyond task-isolated, fine-tuned models toward agentic systems that plan,…

Reprogrammable mechanical metamaterials, composed of a lattice of discretely adaptive elements, are emerging as a promising platform for mechanical intelligence. To operate in unknown environments, such structures must go beyond passive…

In recent years the machine learning techniques have shown a great potential in various problems from a multitude of disciplines, including materials design and drug discovery. The high computational speed on the one hand and the accuracy…

Chemical Physics · Physics 2018-05-09 Konstantin Gubaev , Evgeny V. Podryabinkin , Alexander V. Shapeev

Machine learning is the study of computer algorithms that can automatically improve based on data and experience. Machine learning algorithms build a model from sample data, called training data, to make predictions or judgments without…

Over the past decade inter-atomic potentials based on machine-learning (ML) techniques have become an indispensable tool in the atomic-scale modeling of materials. Trained on energies and forces obtained from electronic-structure…

Materials Science · Physics 2022-08-15 Michele Ceriotti

Autonomous physical science is revolutionizing materials science. In these systems, machine learning controls experiment design, execution, and analysis in a closed loop. Active learning, the machine learning field of optimal experiment…

Materials Science · Physics 2022-04-13 Alex Wang , Haotong Liang , Austin McDannald , Ichiro Takeuchi , A. Gilad Kusne

Materials design and development typically takes several decades from the initial discovery to commercialization with the traditional trial and error development approach. With the accumulation of data from both experimental and…

Materials Science · Physics 2017-07-18 Xiaojiao Yu

The radiative response of any object is governed by a surface parameter known as emissivity. Tuning the emissivity of surfaces has been of great interest in many applications involving thermal radiation such as thermophotovoltaics, thermal…

Applied Physics · Physics 2022-11-01 Greg Acosta , Andrew Reicks , Miguel Moreno , Alireza Borjali , Craig Zuhlke , Mohammad Ghashami

Traditional computational methods, such as the finite element analysis, have provided valuable insights into uncovering the underlying mechanisms of brain physical behaviors. However, precise predictions of brain physics require effective…

Machine Learning · Computer Science 2023-10-18 Jixin Hou , Nicholas Filla , Xianyan Chen , Mir Jalil Razavi , Tianming Liu , Xianqiao Wang

In this paper we present a discussion of the basic aspects of the well-known problem of prediction and inference in physics, with specific attention to the role of models, the use of data and the application of recent developments in…

General Physics · Physics 2024-10-07 Luca Gammaitoni , Angelo Vulpiani

Dynamic analysis of structures subjected to earthquake excitation is a time-consuming process, particularly in the case of extremely small time step required, or in the presence of high geometric and material nonlinearity. Performing…

Machine Learning · Computer Science 2021-11-30 Xiao Pan , Zhizhao Wen , T. Y. Yang

Direct prediction of material properties from microstructures through statistical models has shown to be a potential approach to accelerating computational material design with large design spaces. However, statistical modeling of highly…

Computational Physics · Physics 2017-12-12 Ruijin Cang , Hechao Li , Hope Yao , Yang Jiao , Yi Ren

Even though superconductivity has been studied intensively for more than a century, the vast majority of superconductivity research today is carried out in nearly the same manner as decades ago. That is, each study tends to focus on only a…

Predictive materials synthesis is the primary bottleneck in realizing new functional and quantum materials. Strategies for synthesis of promising materials are currently identified by time-consuming trial and error approaches and there are…

Wearable devices, such as smartwatches and head-mounted displays, are increasingly used for prolonged tasks like remote learning and work, but sustained interaction often leads to user fatigue, reducing efficiency and engagement. This study…

Machine Learning · Computer Science 2025-06-17 Yikan Wang

The transformation towards renewable energy and feedstock supply in the chemical industry requires new conceptual process design approaches. Recently, breakthroughs in artificial intelligence offer opportunities to accelerate this…

Machine Learning · Computer Science 2023-08-16 Qinghe Gao , Artur M. Schweidtmann

Knowledge-based or Artificial Intelligence techniques are used increasingly as alternatives to more classical techniques to model ENVIRONMENTAL SYSTEMS. Use of Artificial Intelligence (AI) in environmental modelling has increased with…

Artificial Intelligence · Computer Science 2014-09-16 Kamran Latif

The rapid development of machine learning (ML) and artificial intelligence (AI) applications requires the training of large numbers of models. This growing demand highlights the importance of training models without human supervision, while…

Machine Learning · Computer Science 2025-05-26 Alexey Boldyrev , Fedor Ratnikov , Andrey Shevelev

Development of robust concrete mixes with a lower environmental impact is challenging due to natural variability in constituent materials and a multitude of possible combinations of mix proportions. Making reliable property predictions with…

Machine Learning · Computer Science 2023-04-25 Jessica C. Forsdyke , Bahdan Zviazhynski , Janet M. Lees , Gareth J. Conduit

With the rapid development of artificial intelligence, the combination of material database and machine learning has driven the progress of material informatics. Because aluminum alloy is widely used in many fields, so it is significant to…

Materials Science · Physics 2022-07-05 Houchen Zuo , Yongquan Jiang , Yan Yang , Baoying Liu , Jie Hu
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