Enabling dynamic 3D coherent diffraction imaging via adaptive latent space tuning of generative autoencoders

IF 9.4 1区 材料科学 Q1 CHEMISTRY, PHYSICAL npj Computational Materials Pub Date : 2024-12-18 DOI:10.1038/s41524-024-01482-5
Alexander Scheinker, Reeju Pokharel
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Abstract

Coherent diffraction imaging (CDI) is an advanced non-destructive 3D X-ray imaging technique for measuring a sample’s electron density. The main challenge of CDI is loss of phase information in diffraction intensity measurements, resulting in lengthy iterative reconstruction processes that can return non-unique solutions, which pose challenges for experiments attempting to track dynamic sample evolution through multiple states. As the increased brightness of fourth-generation light sources enables faster sample measurements and drives operando experiments with Bragg CDI, there is a growing need for faster reconstruction techniques that can keep pace. We have developed an adaptive generative autoencoder approach for uniquely tracking a sample’s electron density as it dynamically evolves. Our approach adaptively tunes the low-dimensional latent embedding of a generative autoencoder, enabling a computationally efficient manner to account for time-varying shifting distributions in real-time. Analytic proof of convergence is provided as well as numerical demonstration of sample tracking with noisy measurements.

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相干衍射成像(CDI)是一种先进的非破坏性三维 X 射线成像技术,用于测量样品的电子密度。相干衍射成像的主要挑战在于衍射强度测量中相位信息的丢失,导致冗长的迭代重建过程可能返回非唯一的解决方案,这给试图通过多种状态跟踪样品动态演变的实验带来了挑战。随着第四代光源亮度的提高,样品测量速度加快,并推动了布拉格 CDI 的操作性实验,因此越来越需要能够跟上步伐的快速重建技术。我们开发了一种自适应生成自动编码器方法,可在样品电子密度动态变化时对其进行唯一跟踪。我们的方法可以自适应地调整生成式自动编码器的低维潜在嵌入,从而以计算高效的方式实时考虑时变的移动分布。我们还提供了收敛性的分析证明,以及对噪声测量进行样本跟踪的数值演示。
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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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