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Visual inspection of x-ray scattering images is a powerful technique for probing the physical structure of materials at the molecular scale. In this paper, we explore the use of deep learning to develop methods for automatically analyzing…

Computer Vision and Pattern Recognition · Computer Science 2016-11-11 Boyu Wang , Kevin Yager , Dantong Yu , Minh Hoai

Powder X-ray diffraction (PXRD) is a prevalent technique in materials characterization. While the analysis of PXRD often requires extensive human manual intervention, and most automated method only achieved at coarse-grained level. The more…

Chemical Physics · Physics 2025-02-11 Qingsi Lai , Fanjie Xu , Lin Yao , Zhifeng Gao , Siyuan Liu , Hongshuai Wang , Shuqi Lu , Di He , Liwei Wang , Cheng Wang , Guolin Ke

In this thesis we investigate high throughput computational methods for processing large quantities of data collected from synchrotrons and their application to spectral analysis of powder diffraction data. We also present the main product…

Data Analysis, Statistics and Probability · Physics 2013-01-22 Taha Sochi

Phase retrieval aims to recover a signal from intensity-only measurements, a fundamental problem in many fields such as imaging, holography, optical computing, crystallography, and microscopy. Although there are several well-known phase…

Image and Video Processing · Electrical Eng. & Systems 2026-01-21 Mehmet Onurcan Kaya , Figen S. Oktem

Coherent beam combination of multiple fibres can be used to overcome limitations such as the power handling capability of single fibre configurations. In such a scheme, the focal intensity profile is critically dependent upon the relative…

Image and Video Processing · Electrical Eng. & Systems 2021-11-02 Ben Mills , James A. Grant-Jacob , Matthew Praeger , Robert. W. Eason , Johan Nilsson , Michalis N. Zervas

Phase segregation, the process by which the components of a binary mixture spontaneously separate, is a key process in the evolution and design of many chemical, mechanical, and biological systems. In this work, we present a data-driven…

Machine Learning · Computer Science 2018-03-28 Amir Barati Farimani , Joseph Gomes , Rishi Sharma , Franklin L. Lee , Vijay S. Pande

Deep learning methods are notoriously data-hungry, which requires a large number of labeled samples. Unfortunately, the large amount of interactive sample labeling efforts has dramatically hindered the application of deep learning methods,…

Computer Vision and Pattern Recognition · Computer Science 2022-09-27 Han Hu , Xinrong Liang , Yulin Ding , Qisen Shang , Bo Xu , Xuming Ge , Min Chen , Ruofei Zhong , Qing Zhu

The effectiveness of machine learning in metallographic microstructure segmentation is often constrained by the lack of human-annotated phase masks, particularly for rare or compositionally complex morphologies within the metal alloy. We…

Computer Vision and Pattern Recognition · Computer Science 2025-08-05 Hoang Hai Nam Nguyen , Minh Tien Tran , Hoheok Kim , Ho Won Lee

Recently, deep convolutional neural networks have shown good results for image recognition. In this paper, we use convolutional neural networks with a finder module, which discovers the important region for recognition and extracts that…

Computer Vision and Pattern Recognition · Computer Science 2018-12-27 Yusei Miura , Tetsuya Sakurai , Claus Aranha , Toshiya Senda , Ryuichi Kato , Yusuke Yamada

The advent of advanced crystallographic techniques has shifted structural biology from static, single-conformer models toward probing protein dynamics. Extracting cooperative motions from temporally and spatially averaged electron density…

Quantitative Methods · Quantitative Biology 2025-09-08 Avinash Mandaiya , Veit Elser

Single-shot X-ray imaging of short-lived nanostructures such as clusters and nanoparticles near a phase transition or non-crystalizing objects such as large proteins and viruses is currently the most elegant method for characterizing their…

Atomic and Molecular Clusters · Physics 2020-10-14 Thomas Stielow , Robin Schmidt , Christian Peltz , Thomas Fennel , Stefan Scheel

To enhance the reflectivity of X-ray mirrors beyond the critical angle, multilayer coatings are required. Interface imperfections in the multilayer growth process are known to cause non-specular scattering and degrade the mirror optical…

Optics · Physics 2013-04-05 B. Salmaso , D. Spiga , R. Canestrari , L. Raimondi

The detection of phase transitions is a fundamental challenge in condensed matter physics, traditionally addressed through analytical methods and direct numerical simulations. In recent years, machine learning techniques have emerged as…

Disordered Systems and Neural Networks · Physics 2025-01-14 Djenabou Bayo , Burak Çivitcioğlu , Joseph J Webb , Andreas Honecker , Rudolf A. Römer

Efficiently and accurately determining the symmetry is a crucial step in the structural analysis of crystalline materials. Existing methods usually mindlessly apply deep learning models while ignoring the underlying chemical rules. More…

Machine Learning · Computer Science 2025-11-11 Liheng Yu , Zhe Zhao , Xucong Wang , Di Wu , Pengkun Wang

The development of novel materials in recent years has been accelerated greatly by the use of computational modelling techniques aimed at elucidating the complex physics controlling microstructure formation in materials, the properties of…

Materials Science · Physics 2025-11-14 Damien Pinto , Michael Greenwood , Nikolas Provatas

In this paper, we present a statistical-mechanical analysis of deep learning. We elucidate some of the essential components of deep learning---pre-training by unsupervised learning and fine tuning by supervised learning. We formulate the…

Machine Learning · Statistics 2015-06-23 Masayuki Ohzeki

Due to the high complexity and technical requirements of industrial production processes, surface defects will inevitably appear, which seriously affects the quality of products. Although existing lightweight detection networks are highly…

Computer Vision and Pattern Recognition · Computer Science 2024-08-27 Xuyi Yu

We applied the clustering technique using DTW (dynamic time wrapping) analysis to XRD (X-ray diffraction) spectrum patterns in order to identify the microscopic structures of substituents introduced in the main phase of magnetic alloys. The…

It is shown that the diffraction on a polycrystal can be used for investigation and diagnostics of X-ray radiation emitted in a forward direction by relativistic charged particles moving in crystalline or other targets or fields. Methods…

Instrumentation and Detectors · Physics 2025-03-07 Alexander V. Shchagin

We demonstrate a smart laser-diffraction analysis technique for particle mixture identification. We retrieve information about the size, geometry, and ratio concentration of two-component heterogeneous particle mixtures with an efficiency…

Image and Video Processing · Electrical Eng. & Systems 2022-02-03 Arturo Villegas , Mario A. Quiroz-Juarez , Alfred U'Ren , Juan P. Torres , Roberto de J. Leon-Montiel
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