用于相干 X 射线超快波动分析的机器学习光子检测算法。

IF 2.3 2区 物理与天体物理 Q3 CHEMISTRY, PHYSICAL Structural Dynamics-Us Pub Date : 2022-10-17 eCollection Date: 2022-09-01 DOI:10.1063/4.0000161
Sathya R Chitturi, Nicolas G Burdet, Youssef Nashed, Daniel Ratner, Aashwin Mishra, T J Lane, Matthew Seaberg, Vincent Esposito, Chun Hong Yoon, Mike Dunne, Joshua J Turner
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引用次数: 0

摘要

X 射线自由电子激光实验带来了独特的能力,开辟了新的研究方向,如创造新的物质状态或直接测量原子运动。其中一个领域是能够利用间隔较小的相干 X 射线脉冲组,在不同时间从动态系统散射后进行比较。这样就能在超快脉冲持续时间的水平上研究多体量子系统的波动,但这种方法仅限于一些特定的例子,而且需要复杂和先进的分析工具。通过将一种新方法应用于这一问题,我们在三个不同领域取得了质的进步,这些进步很可能也会应用于新的领域。与通常用于估计像素化探测器上的光子分布以获得相干 X 射线斑点模式的 "液滴型 "模型相比,我们的算法在 CPU 硬件上实现了一个数量级的提速,在 GPU 硬件上实现了两个数量级的改进。我们还发现,该算法在低对比度条件下仍能保持精度,而低对比度正是结构动力学许多实验的典型机制。最后,它还能预测高平均强度应用中的光子分布,而这是迄今为止无法实现的。我们的人工智能辅助算法将使 X 射线相干光谱学得到更广泛的应用,既能使以前具有挑战性的分析自动化,又能实现新的实验,而如果没有这项工作中描述的发展,这些实验是不可行的。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

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A machine learning photon detection algorithm for coherent x-ray ultrafast fluctuation analysis.

X-ray free electron laser experiments have brought unique capabilities and opened new directions in research, such as creating new states of matter or directly measuring atomic motion. One such area is the ability to use finely spaced sets of coherent x-ray pulses to be compared after scattering from a dynamic system at different times. This enables the study of fluctuations in many-body quantum systems at the level of the ultrafast pulse durations, but this method has been limited to a select number of examples and required complex and advanced analytical tools. By applying a new methodology to this problem, we have made qualitative advances in three separate areas that will likely also find application to new fields. As compared to the "droplet-type" models, which typically are used to estimate the photon distributions on pixelated detectors to obtain the coherent x-ray speckle patterns, our algorithm achieves an order of magnitude speedup on CPU hardware and two orders of magnitude improvement on GPU hardware. We also find that it retains accuracy in low-contrast conditions, which is the typical regime for many experiments in structural dynamics. Finally, it can predict photon distributions in high average-intensity applications, a regime which up until now has not been accessible. Our artificial intelligence-assisted algorithm will enable a wider adoption of x-ray coherence spectroscopies, by both automating previously challenging analyses and enabling new experiments that were not otherwise feasible without the developments described in this work.

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来源期刊
Structural Dynamics-Us
Structural Dynamics-Us CHEMISTRY, PHYSICALPHYSICS, ATOMIC, MOLECU-PHYSICS, ATOMIC, MOLECULAR & CHEMICAL
CiteScore
5.50
自引率
3.60%
发文量
24
审稿时长
16 weeks
期刊介绍: Structural Dynamics focuses on the recent developments in experimental and theoretical methods and techniques that allow a visualization of the electronic and geometric structural changes in real time of chemical, biological, and condensed-matter systems. The community of scientists and engineers working on structural dynamics in such diverse systems often use similar instrumentation and methods. The journal welcomes articles dealing with fundamental problems of electronic and structural dynamics that are tackled by new methods, such as: Time-resolved X-ray and electron diffraction and scattering, Coherent diffractive imaging, Time-resolved X-ray spectroscopies (absorption, emission, resonant inelastic scattering, etc.), Time-resolved electron energy loss spectroscopy (EELS) and electron microscopy, Time-resolved photoelectron spectroscopies (UPS, XPS, ARPES, etc.), Multidimensional spectroscopies in the infrared, the visible and the ultraviolet, Nonlinear spectroscopies in the VUV, the soft and the hard X-ray domains, Theory and computational methods and algorithms for the analysis and description of structuraldynamics and their associated experimental signals. These new methods are enabled by new instrumentation, such as: X-ray free electron lasers, which provide flux, coherence, and time resolution, New sources of ultrashort electron pulses, New sources of ultrashort vacuum ultraviolet (VUV) to hard X-ray pulses, such as high-harmonic generation (HHG) sources or plasma-based sources, New sources of ultrashort infrared and terahertz (THz) radiation, New detectors for X-rays and electrons, New sample handling and delivery schemes, New computational capabilities.
期刊最新文献
Laser-induced electron diffraction: Imaging of a single gas-phase molecular structure with one of its own electrons. Deconvolution of dynamic heterogeneity in protein structure. Role of crystal orientation in attosecond photoinjection dynamics of germanium. CrysFormer: Protein structure determination via Patterson maps, deep learning, and partial structure attention. Introduction to the Special Issue Tribute to Olga Kennard (1924-2023).
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