x射线自由电子激光器不完美衍射图样的深度学习实时相位反演

IF 9.4 1区 材料科学 Q1 CHEMISTRY, PHYSICAL
Sung Yun Lee, Do Hyung Cho, Chulho Jung, Daeho Sung, Daewoong Nam, Sangsoo Kim, Changyong Song
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引用次数: 0

摘要

机器学习通过分析大型数据集和从不完整数据中提取科学信息,几乎在所有科学领域都吸引了人们的兴趣。数据驱动的科学正在迅速发展,特别是在x射线方法中,先进的光源和检测技术产生了大量的数据,超出了细致的人类检查能力。尽管需求不断增加,但对特定数据优化的需求阻碍了机器学习的全面应用。在这项研究中,我们引入了一种新的基于深度学习的不完全衍射数据相位检索方法。该方法对模拟数据具有较强的相位恢复能力,对x射线自由电子激光器的部分损伤和噪声单脉冲衍射数据具有较好的恢复效果。此外,该方法显著减少了数据处理时间,促进了对高重复率数据采集至关重要的实时图像重建。该方法为相位问题提供了一种可靠的解决方案,将被广泛应用于各个研究领域。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Deep-learning real-time phase retrieval of imperfect diffraction patterns from X-ray free-electron lasers

Deep-learning real-time phase retrieval of imperfect diffraction patterns from X-ray free-electron lasers

Machine learning is attracting surging interest across nearly all scientific areas by enabling the analysis of large datasets and the extraction of scientific information from incomplete data. Data-driven science is rapidly growing, especially in X-ray methodologies, where advanced light sources and detection technologies produce vast amounts of data that exceed meticulous human inspection capabilities. Despite the increasing demands, the full application of machine learning has been hindered by the need for data-specific optimizations. In this study, we introduce a new deep-learning-based phase retrieval method for imperfect diffraction data. This method provides robust phase retrieval for simulated data and performs well on partially damaged and noisy single-pulse diffraction data from X-ray free-electron lasers. Moreover, the method significantly reduces data processing time, facilitating real-time image reconstructions that are crucial for high-repetition-rate data acquisition. This approach offers a reliable solution to the phase problem to be widely adopted across various research areas confronting the inverse problem.

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来源期刊
npj Computational Materials
npj Computational Materials Mathematics-Modeling and Simulation
CiteScore
15.30
自引率
5.20%
发文量
229
审稿时长
6 weeks
期刊介绍: npj Computational Materials is a high-quality open access journal from Nature Research that publishes research papers applying computational approaches for the design of new materials and enhancing our understanding of existing ones. The journal also welcomes papers on new computational techniques and the refinement of current approaches that support these aims, as well as experimental papers that complement computational findings. Some key features of npj Computational Materials include a 2-year impact factor of 12.241 (2021), article downloads of 1,138,590 (2021), and a fast turnaround time of 11 days from submission to the first editorial decision. The journal is indexed in various databases and services, including Chemical Abstracts Service (ACS), Astrophysics Data System (ADS), Current Contents/Physical, Chemical and Earth Sciences, Journal Citation Reports/Science Edition, SCOPUS, EI Compendex, INSPEC, Google Scholar, SCImago, DOAJ, CNKI, and Science Citation Index Expanded (SCIE), among others.
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