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The classical method of determining the atomic structure of complex molecules by analyzing diffraction patterns is currently undergoing drastic developments. Modern techniques for producing extremely bright and coherent X-ray lasers allow a…

Biomolecules · Quantitative Biology 2015-10-12 Tomas Ekeberg , Stefan Engblom , Jing Liu

Multiphase powder X-ray diffraction (PXRD) analysis remains a fundamental bottleneck in structure identification, as real-world synthesis often produces complex mixtures whose constituent phases (components) cannot be reliably disentangled.…

Artificial Intelligence · Computer Science 2026-05-11 Hanyu Gao , Bin Cao , Yunyue Su , Tong-Yi Zhang , Qiang Liu

Ultrafast electron diffraction/microscopy technique enables us to investigate the nonequilibrium dynamics of crystal structures in the femtosecond-nanosecond time domain. However, the electron diffraction intensities are in general…

Materials Science · Physics 2024-07-10 Toshiya Shiratori , Jumpei Koga , Takahiro Shimojima , Kyoko Ishizaka , Asuka Nakamura

We present Distortion-Guided Restoration (DGR), a physics-informed hybrid CNN-diffusion framework for acquisition-free correction of severe susceptibility-induced distortions in prostate single-shot EPI diffusion-weighted imaging (DWI). DGR…

Image and Video Processing · Electrical Eng. & Systems 2026-04-02 Ziyang Long , Binesh Nader , Lixia Wang , Archana Vadiraj Malaji , Chia-Chi Yang , Haoran Sun , Rola Saouaf , Timothy Daskivich , Hyung Kim , Yibin Xie , Debiao Li , Hsin-Jung Yang

Recent advancements in dynamic neural radiance field methods have yielded remarkable outcomes. However, these approaches rely on the assumption of sharp input images. When faced with motion blur, existing dynamic NeRF methods often struggle…

Computer Vision and Pattern Recognition · Computer Science 2024-03-20 Huiqiang Sun , Xingyi Li , Liao Shen , Xinyi Ye , Ke Xian , Zhiguo Cao

Implementation of a fast, robust, and fully-automated pipeline for crystal structure determination and underlying strain mapping for crystalline materials is important for many technological applications. Scanning electron nanodiffraction…

As an extension of the 2D fractional Fourier transform (FRFT) and a special case of the 2D linear canonical transform (LCT), the gyrator transform was introduced to produce rotations in twisted space/spatial-frequency planes. It is a useful…

Computer Vision and Pattern Recognition · Computer Science 2017-07-13 Soo-Chang Pei , Shih-Gu Huang , Jian-Jiun Ding

Coherent X-ray beams with energies $\geq 50$ keV can potentially enable three-dimensional imaging of atomic lattice distortion fields within individual crystallites in bulk polycrystalline materials through Bragg coherent diffraction…

Neural Radiance Field (NeRF) has shown remarkable performance in novel view synthesis but requires numerous multi-view images, limiting its practicality in few-shot scenarios. Ray augmentation has been proposed to alleviate overfitting…

Computer Vision and Pattern Recognition · Computer Science 2025-08-07 Ingyun Lee , Jae Won Jang , Seunghyeon Seo , Nojun Kwak

We introduce X-Ray, a novel 3D sequential representation inspired by the penetrability of x-ray scans. X-Ray transforms a 3D object into a series of surface frames at different layers, making it suitable for generating 3D models from…

Computer Vision and Pattern Recognition · Computer Science 2024-06-04 Tao Hu , Wenhang Ge , Yuyang Zhao , Gim Hee Lee

Over nearly two decades, Differential Dynamic Microscopy (DDM) has become a standard technique for extracting dynamic correlation functions from time-lapse microscopy data, with applications spanning colloidal suspensions, polymer…

Soft Condensed Matter · Physics 2025-11-11 Enrico Lattuada , Fabian Krautgasser , Maxime Lavaud , Fabio Giavazzi , Roberto Cerbino

We present XSLIDE (X-Ray Spectral Line IDentifier and Explorer), a graphical user interface that has been designed as a quick-look tool for the upcoming X-Ray Imaging and Spectroscopy Mission (XRISM). XSLIDE is a simple and user-friendly…

Crystal structure generation is a foundational challenge in materials discovery, particularly in designing functional inorganic crystalline materials with desired properties. Most existing diffusion-based generative models for crystals rely…

Materials Science · Physics 2025-05-13 Sourav Mal , Subhankar Mishra , Prasenjit Sen

Electron ptychography has recently achieved unprecedented resolution, offering valuable insights across diverse material systems, including in three dimensions. However, high-quality ptychographic reconstruction is computationally expensive…

Materials Science · Physics 2025-08-07 Chia-Hao Lee , Steven E. Zeltmann , Dasol Yoon , Desheng Ma , David A. Muller

Despite the huge advancement in knowledge discovery and data mining techniques, the X-ray diffraction (XRD) analysis process has mostly remained untouched and still involves manual investigation, comparison, and verification. Due to the…

We present a method for computing resonant inelastic x-ray scattering (RIXS) spectra in one-dimensional systems using the density matrix renormalization group (DMRG) method. By using DMRG to address the problem, we shift the computational…

Strongly Correlated Electrons · Physics 2018-09-20 A. Nocera , U. Kumar , N. Kaushal , G. Alvarez , E. Dagotto , S. Johnston

Coherent diffractive imaging (CDI), using both X-rays and electrons, has made extremely rapid progress over the past two decades. The associated reconstruction algorithms are typically iterative, and seeded with a crude first estimate. A…

Image and Video Processing · Electrical Eng. & Systems 2019-06-25 Konstantin M. Pavlov , Kaye S. Morgan , Vasily I. Punegov , David M. Paganin

3D sketches are widely used for visually representing the 3D shape and structure of objects or scenes. However, the creation of 3D sketch often requires users to possess professional artistic skills. Existing research efforts primarily…

Computer Vision and Pattern Recognition · Computer Science 2025-03-11 Yibo Zhang , Lihong Wang , Changqing Zou , Tieru Wu , Rui Ma

While the implementation of single particle coherent diffraction imaging for non-crystalline particles is complicated by current limitations in photon flux, hit rate, and sample delivery a concept of many-particle coherent diffraction…

Disordered Systems and Neural Networks · Physics 2013-02-22 R. P. Kurta , R. Dronyak , M. Altarelli , E. Weckert , I. A. Vartanyants

Dark-Field X-ray Microscopy (DFXM) is a diffraction-based synchrotron imaging techique capable of imaging defects in the bulk of extended crystalline samples. We present numerical simulations of image-formation in such a microscope using…

Materials Science · Physics 2022-02-24 Mads Carlsen , Carsten Detlefs , Can Yildirim , Trygve Ræder , Hugh Simons