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A major challenge in materials science is the determination of the structure of nanometer sized objects. Here we present a novel approach that uses a generative machine learning model based on diffusion processes that is trained on 45,229…

Computational Physics · Physics 2024-11-01 Gabe Guo , Tristan Saidi , Maxwell Terban , Michele Valsecchi , Simon JL Billinge , Hod Lipson

We investigate the efficient learning of magnetic phases using artificial neural networks trained on synthetic data, combining computational simplicity with physics-informed strategies. Focusing on the diluted Ising model, which lacks an…

Strongly Correlated Electrons · Physics 2026-04-29 Agustin Medina , Marcelo Arlego , Carlos A. Lamas

One of the most powerful approaches to imaging at the nanometer or subnanometer length scale is coherent diffraction imaging using X-ray sources. For amorphous (non-crystalline) samples, the raw data can be interpreted as the modulus of the…

Numerical Analysis · Mathematics 2020-04-02 Alexander Barnett , Charles L. Epstein , Leslie Greengard , Jeremy Magland

The application of machine learning in the study of phase transitions has achieved remarkable success in both equilibrium and non-equilibrium systems. It is widely recognized that unsupervised learning can retrieve phase transition…

Statistical Mechanics · Physics 2024-12-10 Dian Xu , Shanshan Wang , Weibing Deng , Feng Gao , Wei Li , Jianmin Shen

Machine learning is applied to investigate the phase transition of two-dimensional complex plasmas. The Langevin dynamics simulation is employed to prepare particle suspensions in various thermodynamic states. Based on the resulted particle…

Plasma Physics · Physics 2023-07-25 He Huang , Vladimir Nosenko , Han-Xiao Huang-Fu , Hubertus M. Thomas , Cheng-Ran Du

Coherent Diffractive Imaging is a lensless technique that allows imaging of matter at a spatial resolution not limited by lens aberrations. This technique exploits the measured diffraction pattern of a coherent beam scattered by periodic…

Computational Physics · Physics 2025-08-27 Alessandro Colombo , Davide Emilio Galli , Liberato De Caro , Francesco Scattarella , Elvio Carlino

A basic challenge in experimental physics is the extraction of information related to variables that are not directly measured. The challenge is particularly severe in quantum systems where one may be interested in correlations of operators…

Quantum Gases · Physics 2026-04-13 Jackson Lee , Andrew J Millis

Deep learning frameworks have become powerful tools for approaching scientific problems such as turbulent flow, which has wide-ranging applications. In practice, however, existing scientific machine learning approaches have difficulty…

Machine Learning · Computer Science 2024-07-25 Jakin Ng , Yongji Wang , Ching-Yao Lai

A simple method of phase-and-amplitude extraction is derived that corrects for image blurring induced by partially spatially coherent incident illumination using only a single intensity image as input. The method is based on Fresnel…

Optics · Physics 2019-11-19 Mario A. Beltran , David M. Paganin , Daniele Pelliccia

We use a Convolutional Recurrent Neural Network approach to learn morphological evolution driven by surface diffusion. To this aim we first produce a training set using phase field simulations. Intentionally, we insert in such a set only…

Computational Physics · Physics 2024-05-07 Daniele Lanzoni , Marco Albani , Roberto Bergamaschini , Francesco Montalenti

Determining crystal structures from powder X-ray diffraction (PXRD) has been a significant challenge in materials science, particularly when experimental data contain noise or the target structure has a high complexity. While recent AI…

Materials Science · Physics 2026-05-26 Kaixiang Su , Osman Goni Ridwan , Hongfei Xue , Qiang Zhu

Identifying parameters in partial differential equations (PDEs) represents a very broad class of applied inverse problems. In recent years, several unsupervised learning approaches using (deep) neural networks have been developed to solve…

Numerical Analysis · Mathematics 2025-08-22 Siyu Cen , Bangti Jin , Qimeng Quan , Zhi Zhou

X-ray diffraction (XRD) data acquisition and analysis is among the most time-consuming steps in the development cycle of novel thin-film materials. We propose a machine-learning-enabled approach to predict crystallographic dimensionality…

We discuss an approach to probabilistic forecasting based on two chained machine-learning steps: a dimensional reduction step that learns a reduction map of predictor information to a low-dimensional space in a manner designed to preserve…

Machine Learning · Statistics 2022-03-28 Nick Rittler , Carlo Graziani , Jiali Wang , Rao Kotamarthi

Neural networks require a large amount of annotated data to learn. Meta-learning algorithms propose a way to decrease the number of training samples to only a few. One of the most prominent optimization-based meta-learning algorithms is…

Machine Learning · Computer Science 2022-06-14 Kostiantyn Khabarlak

Phase estimation protocols provide a fundamental benchmark for the field of quantum metrology. The latter represents one of the most relevant applications of quantum theory, potentially enabling the capability of measuring unknown physical…

Foundational Machine Learning Potentials can resolve the accuracy and transferability limitations of classical force fields. They enable microscopic insights into material behavior through Molecular Dynamics simulations, which can crucially…

Computational Physics · Physics 2025-12-04 Paul Fuchs , Julija Zavadlav

X-ray diffraction based microscopy techniques such as High Energy Diffraction Microscopy rely on knowledge of the position of diffraction peaks with high precision. These positions are typically computed by fitting the observed intensities…

Image and Video Processing · Electrical Eng. & Systems 2021-06-04 Zhengchun Liu , Hemant Sharma , Jun-Sang Park , Peter Kenesei , Antonino Miceli , Jonathan Almer , Rajkumar Kettimuthu , Ian Foster

Crystalline phase structure is essential for understanding the performance and properties of a material. Therefore, this study identified and quantified the crystalline phase structure of a sample based on the diffraction pattern observed…

Materials Science · Physics 2023-09-27 Ryo Murakami , Yoshitaka Matsushita , Kenji Nagata , Hayaru Shouno , Hideki Yoshikawa

We propose an iterative proposal to estimate critical points for statistical models based on configurations by combing machine-learning tools. Firstly, phase scenarios and preliminary boundaries of phases are obtained by…

Disordered Systems and Neural Networks · Physics 2019-10-23 X. L. Zhao , L. B. Fu