机器学习和神经网络在SIPT FT-ICR质量测量中的应用

IF 1.7 Q3 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL
Atoms Pub Date : 2023-09-28 DOI:10.3390/atoms11100126
Scott E. Campbell, Georg Bollen, Alec Hamaker, Walter Kretzer, Ryan Ringle, Stefan Schwarz
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引用次数: 0

摘要

低能束离子捕获装置的单离子彭宁阱(SIPT)用于对单离子进行精确的彭宁阱质量测量,非常适合研究稀有同位素束装置(FRIB)中只有低速率才能获得的外来核。单离子信号非常微弱——尤其是当离子是单电荷的时候——而且少数有意义的离子信号必须从通常较大的噪声背景中分离出来。本文提出了一种有效的模拟傅里叶变换离子回旋共振信号的方法,并证明该方法与已建立的计算强度较高的方法等效。讨论了有监督机器学习算法在背景信号分类中的应用,对于SIPT感兴趣的最弱信号,其精度显示为≈65%。此外,还讨论了一种能够准确预测离子图像电荷信号所观察到的重要特性的深度神经网络。在实验噪声数据集上的信号分类显示假阳性分类率为10.5%,在额外滤波后为3.5%。将深度神经网络应用于85Rb+实验数据集,表明SIPT对单离子信号敏感。最后,讨论了对未来实验的启示。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Applications of Machine Learning and Neural Networks for FT-ICR Mass Measurements with SIPT
The single-ion Penning trap (SIPT) at the Low-Energy Beam Ion Trapping Facility has been developed to perform precision Penning trap mass measurements of single ions, ideal for the study of exotic nuclei available only at low rates at the Facility for Rare Isotope Beams (FRIB). Single-ion signals are very weak—especially if the ion is singly charged—and the few meaningful ion signals must be disentangled from an often larger noise background. A useful approach for simulating Fourier transform ion cyclotron resonance signals is outlined and shown to be equivalent to the established yet computationally intense method. Applications of supervised machine learning algorithms for classifying background signals are discussed, and their accuracies are shown to be ≈65% for the weakest signals of interest to SIPT. Additionally, a deep neural network capable of accurately predicting important characteristics of the ions observed by their image charge signal is discussed. Signal classification on an experimental noise dataset was shown to have a false-positive classification rate of 10.5%, and 3.5% following additional filtering. The application of the deep neural network to an experimental 85Rb+ dataset is presented, suggesting that SIPT is sensitive to single-ion signals. Lastly, the implications for future experiments are discussed.
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来源期刊
Atoms
Atoms Physics and Astronomy-Nuclear and High Energy Physics
CiteScore
2.70
自引率
22.20%
发文量
128
审稿时长
8 weeks
期刊介绍: Atoms (ISSN 2218-2004) is an international and cross-disciplinary scholarly journal of scientific studies related to all aspects of the atom. It publishes reviews, regular research papers, and communications; there is no restriction on the length of the papers. Our aim is to encourage scientists to publish their experimental and theoretical research in as much detail as possible. Full experimental and/or methodical details must be provided for research articles. There are, in addition, unique features of this journal: -manuscripts regarding research proposals and research ideas will be particularly welcomed. -computed data, program listings, and files regarding the full details of the experimental procedure, if unable to be published in a normal way, can be deposited as supplementary material. Scopes: -experimental and theoretical atomic, molecular, and nuclear physics, chemical physics -the study of atoms, molecules, nuclei and their interactions and constituents (protons, neutrons, and electrons) -quantum theory, applications and foundations -microparticles, clusters -exotic systems (muons, quarks, anti-matter) -atomic, molecular, and nuclear spectroscopy and collisions -nuclear energy (fusion and fission), radioactive decay -nuclear magnetic resonance (NMR) and electron spin resonance (ESR), hyperfine interactions -orbitals, valence and bonding behavior -atomic and molecular properties (energy levels, radiative properties, magnetic moments, collisional data) and photon interactions
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