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Recent advances in machine-learning interatomic potentials have enabled the efficient modeling of complex atomistic systems with an accuracy that is comparable to that of conventional quantum mechanics based methods. At the same time, the…

Materials Science · Physics 2021-05-06 April M. Miksch , Tobias Morawietz , Johannes Kästner , Alexander Urban , Nongnuch Artrith

Artificial intelligence (AI) is transforming the practice of science. Machine learning and large language models (LLMs) can generate hypotheses at a scale and speed far exceeding traditional methods, offering the potential to accelerate…

Artificial Intelligence · Computer Science 2025-12-18 Cristina Cornelio , Takuya Ito , Ryan Cory-Wright , Sanjeeb Dash , Lior Horesh

Machine learned force fields typically require manual construction of training sets consisting of thousands of first principles calculations, which can result in low training efficiency and unpredictable errors when applied to structures…

Computational Physics · Physics 2019-11-21 Jonathan Vandermause , Steven B. Torrisi , Simon Batzner , Yu Xie , Lixin Sun , Alexie M. Kolpak , Boris Kozinsky

Heterogeneous materials, crucial in various engineering applications, exhibit complex multiscale behavior, which challenges the effectiveness of traditional computational methods. In this work, we introduce the Micromechanics Transformer…

Computational Engineering, Finance, and Science · Computer Science 2024-10-10 Sifan Wang , Tong-Rui Liu , Shyam Sankaran , Paris Perdikaris

Artificial intelligence (AI) is transforming scientific research, with deep learning methods playing a central role in data analysis, simulations, and signal detection across particle, nuclear, and astroparticle physics. Within the JENA…

Knowledge of surface forces is the key to understanding a large number of processes in fields ranging from physics to material science and biology. The most common method to study surfaces is dynamic atomic force microscopy (AFM). Dynamic…

Mesoscale and Nanoscale Physics · Physics 2013-02-06 Daniel Platz , Daniel Forchheimer , Erik A. Tholen , David B. Haviland

Artificial intelligence (AI) is regarded as one of the most disruptive technology of the century and with countless applications. What does it mean for radiation protection? This article describes the fundamentals of machine learning (ML)…

Machine Learning · Computer Science 2023-06-13 Sylvain Andresz , A Zéphir , Jeremy Bez , Maxime Karst , J. Danieli

Thermoelectric materials offer a promising pathway to directly convert waste heat to electricity. However, achieving high performance remains challenging due to intrinsic trade-offs between electrical conductivity, the Seebeck coefficient,…

Advances in manufacturing and characterization of complex molecular systems have created a need for new methods for design at molecular length scales. Emerging approaches are increasingly relying on the use of Artificial Intelligence (AI),…

Soft Condensed Matter · Physics 2022-08-17 Dan Mendels , Fabian Byléhn , Timothy W. Sirk , Juan J. de Pablo

Artificial Intelligence & Nanotechnology are promising areas for the future of humanity. While Deep Learning based Computer Vision has found applications in many fields from medicine to automotive, its application in nanotechnology can open…

Computer Vision and Pattern Recognition · Computer Science 2022-01-05 Rajagopal A , Nirmala V , Andrew J , Arun Muthuraj Vedamanickam.

Machine learning force fields (MLFFs) are gradually evolving towards enabling molecular dynamics simulations of molecules and materials with ab initio accuracy but at a small fraction of the computational cost. However, several challenges…

The combinations of artificial intelligence and lasers provide powerful ways to form smart light sources with ground-breaking functions. Here, a Raman fiber laser (RFL) with reconfigurable and programmable spectra in an ultra-wide bandwidth…

Optics · Physics 2022-04-12 Yanli Zhang , Shanshan Wang , Mingzhu She , Weili Zhang

Recent advancements in artificial intelligence (AI) applications within aerospace have demonstrated substantial growth, particularly in the context of control systems. As High Performance Computing (HPC) platforms continue to evolve, they…

Artificial Intelligence · Computer Science 2024-12-24 Abedin Sherifi

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

Optical microscopy is an indispensable tool in life sciences research, but conventional techniques require compromises between imaging parameters like speed, resolution, field-of-view, and phototoxicity. To overcome these limitations,…

Quantitative Methods · Quantitative Biology 2024-04-01 Leonor Morgado , Estibaliz Gómez-de-Mariscal , Hannah S. Heil , Ricardo Henriques

Three-dimensional atomic force microscopy (3D-AFM) has been a powerful tool to probe the atomic-scale structure of solid-liquid interfaces. As a nanoprobe moves along the 3D volume of interfacial liquid, the probe-sample interaction force…

Medical imaging is widely used in cancer diagnosis and treatment, and artificial intelligence (AI) has achieved tremendous success in various tasks of medical image analysis. This paper reviews AI-based tumor subregion analysis in medical…

Image and Video Processing · Electrical Eng. & Systems 2021-03-26 Mingquan Lin , Jacob Wynne , Yang Lei , Tonghe Wang , Walter J. Curran , Tian Liu , Xiaofeng Yang

Fine-tuning is widely applied in image classification tasks as a transfer learning approach. It re-uses the knowledge from a source task to learn and obtain a high performance in target tasks. Fine-tuning is able to alleviate the challenge…

Computer Vision and Pattern Recognition · Computer Science 2022-07-27 Xuyang Shen , Jo Plested , Sabrina Caldwell , Yiran Zhong , Tom Gedeon

Deep reinforcement learning is an emerging machine learning approach which can teach a computer to learn from their actions and rewards similar to the way humans learn from experience. It offers many advantages in automating decision…

Mesoscale and Nanoscale Physics · Physics 2021-07-08 V. Nguyen , S. B. Orbell , D. T. Lennon , H. Moon , F. Vigneau , L. C. Camenzind , L. Yu , D. M. Zumbühl , G. A. D. Briggs , M. A. Osborne , D. Sejdinovic , N. Ares

Machine Learning algorithms are good tools for both classification and prediction purposes. These algorithms can further be used for scientific discoveries from the enormous data being collected in our era. We present ways of discovering…

Instrumentation and Methods for Astrophysics · Physics 2021-02-26 Shraddha Surana , Yogesh Wadadekar , Divya Oberoi